| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.4 | Very low | 35.8 | Very low | 179 Ų | 179 | 128.9 Ų | 128.9 | 88% | 0.882 | 67% | 0.674 | S | S | * | * | 0 | -80.6 | 0 | -66.7 | -50.5 | -162.6 | 0 | 0 | 110.2 | Y4 L5 | M1-Y4 CarbonylContact O-C 3.56Å; M1-Y4 WeakPolarHBondContact O-CA 3.46Å; M1-Y4 WeakPolarHBondContact O-CB 3.34Å; M1-Y4 PolarHBondContact O-N 2.71Å; M1-L5 PolarHBondContact O-N 2.69Å | |||
| 2 | E | 38.6 | Very low | 35.8 | Very low | 152 Ų | 152 | 122.8 Ų | 122.8 | 71% | 0.71 | 65% | 0.648 | S | S | * | * | trans | -70.2 | -34.6 | -173.6 | -72.3 | 99.1 | 157.1 | 0 | 0 | 116.6 | Y4 L5 S6 | E2-Y4 PolarHBondContact O-N 3.5Å; E2-L5 WeakPolarHBondContact O-CA 3.13Å; E2-L5 WeakPolarHBondContact O-CB 3.07Å; E2-L5 PolarHBondContact O-N 2.82Å; E2-S6 PolarHBondContact O-N 2.61Å | ||
| 3 | S | 34.9 | Very low | 34.8 | Very low | 91 Ų | 91 | 126.7 Ų | 126.7 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -66 | -25 | 169.6 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | L5 C7 | S3-L5 VanDerWaalsContact C-N 3.25Å; S3-L5 PolarHBondContact O-N 2.69Å; S3-C7 WeakPolarHBondContact O-CB 3.01Å; S3-C7 PolarHBondContact O-N 2.93Å |
| 4 | Y | 35.7 | Very low | 34.2 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 65% | 0.647 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -75.6 | -9.1 | 168.8 | -109.6 | -92.5 | 0 | 0 | 0 | 113.1 | M1 E2 M8 | M1-Y4 CarbonylContact O-C 3.56Å; M1-Y4 WeakPolarHBondContact O-CA 3.46Å; M1-Y4 WeakPolarHBondContact O-CB 3.34Å; M1-Y4 PolarHBondContact O-N 2.71Å; E2-Y4 PolarHBondContact O-N 3.5Å; Y4-M8 HydrophobicContact CD1-CG 4.12Å; Y4-M8 HydrophobicContact CD1-SD 3.95Å; Y4-M8 HydrophobicContact CE1-SD 4.39Å; Y4-M8 VanDerWaalsContact O-CB 3.32Å; Y4-M8 WeakPolarHBondContact O-CB 3.26Å; Y4-M8 WeakPolarHBondContact O-CE 3.36Å; Y4-M8 WeakPolarHBondContact O-CG 3.17Å |
| 5 | L | 44.3 | Very low | 33.4 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 64% | 0.644 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -96.2 | -33.1 | 171.4 | -76.4 | 159.3 | 0 | 0 | 0 | 111.3 | M1 E2 S3 | M1-L5 PolarHBondContact O-N 2.69Å; E2-L5 WeakPolarHBondContact O-CA 3.13Å; E2-L5 WeakPolarHBondContact O-CB 3.07Å; E2-L5 PolarHBondContact O-N 2.82Å; S3-L5 VanDerWaalsContact C-N 3.25Å; S3-L5 PolarHBondContact O-N 2.69Å |
| 6 | S | 35 | Very low | 33 | Very low | 74 Ų | 74 | 131.9 Ų | 131.9 | 52% | 0.517 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -75.7 | -47.7 | 172.3 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | E2 M8 V10 | E2-S6 PolarHBondContact O-N 2.61Å; S6-M8 PolarHBondContact O-N 3.36Å; S6-V10 PolarHBondContact O-N 3.19Å; S6-V10 VanDerWaalsContact O-N 3.1Å |
| 7 | C | 26.3 | Very low | 32.4 | Very low | 72 Ų | 72 | 130.2 Ų | 130.2 | 49% | 0.486 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.7 | 40.4 | 176.8 | -71.3 | 0 | 0 | 0 | 0 | 113.5 | S3 P12 | S3-C7 WeakPolarHBondContact O-CB 3.01Å; S3-C7 PolarHBondContact O-N 2.93Å; C7-P12 HydrophobicContact CB-CB 3.89Å; C7-P12 WeakPolarHBondContact O-CB 3.26Å; C7-P12 VanDerWaalsContact O-CG 3.26Å; C7-P12 WeakPolarHBondContact O-CG 3.03Å |
| 8 | M | 44.1 | Very low | 32 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 59% | 0.586 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | -13.2 | 154.1 | -78.5 | -157 | -46.5 | 0 | 0 | 113.9 | Y4 S6 | Y4-M8 HydrophobicContact CD1-CG 4.12Å; Y4-M8 HydrophobicContact CD1-SD 3.95Å; Y4-M8 HydrophobicContact CE1-SD 4.39Å; Y4-M8 VanDerWaalsContact O-CB 3.32Å; Y4-M8 WeakPolarHBondContact O-CB 3.26Å; Y4-M8 WeakPolarHBondContact O-CE 3.36Å; Y4-M8 WeakPolarHBondContact O-CG 3.17Å; S6-M8 PolarHBondContact O-N 3.36Å |
| 9 | L | 32.5 | Very low | 31.7 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 86% | 0.859 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | 1.2 | 177.6 | -71.1 | 174.9 | 0 | 0 | 0 | 114.5 | ||
| 10 | V | 28.6 | Very low | 31.3 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 63% | 0.63 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -116 | 142.2 | 155.9 | -179 | 0 | 0 | 0 | 0 | 108.2 | S6 P12 | S6-V10 PolarHBondContact O-N 3.19Å; S6-V10 VanDerWaalsContact O-N 3.1Å; V10-P12 WeakPolarHBondContact O-CD 3.26Å; V10-P12 VanDerWaalsContact O-CG 3.25Å; V10-P12 WeakPolarHBondContact O-CG 3.14Å; V10-P12 VanDerWaalsContact O-N 3.14Å |
| 11 | H | 35.5 | Very low | 31.2 | Very low | 175 Ų | 175 | 129.7 Ų | 129.7 | 81% | 0.81 | 69% | 0.686 | S | S | * | * | trans | -44.3 | 101.7 | -160.9 | -135.1 | -50 | 0 | 0 | 0 | 116.4 | ||||
| 12 | P | 35.4 | Very low | 30.6 | Very low | 56 Ų | 56 | 127.5 Ų | 127.5 | 36% | 0.364 | 68% | 0.683 | S | S | . | * | trans | -120 | 113.9 | -179.4 | 33.6 | -14.8 | 0 | 0 | 0 | 110.7 | C7 V10 | C7-P12 HydrophobicContact CB-CB 3.89Å; C7-P12 WeakPolarHBondContact O-CB 3.26Å; C7-P12 VanDerWaalsContact O-CG 3.26Å; C7-P12 WeakPolarHBondContact O-CG 3.03Å; V10-P12 WeakPolarHBondContact O-CD 3.26Å; V10-P12 VanDerWaalsContact O-CG 3.25Å; V10-P12 WeakPolarHBondContact O-CG 3.14Å; V10-P12 VanDerWaalsContact O-N 3.14Å | ||
| 13 | K | 22.5 | Very low | 30 | Very low | 173 Ų | 173 | 125 Ų | 125 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | cis | 43.8 | 80.2 | 42.6 | -56.2 | -174.6 | 178.9 | -177.7 | 0 | 108.7 | ||||
| 14 | H | 26.4 | Very low | 29.7 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 64% | 0.644 | 69% | 0.688 | S | S | * | * | cis | -133.7 | 127.1 | 36.5 | -84.4 | -83.2 | 0 | 0 | 0 | 113.6 | C17 | H14-C17 HydrophobicContact CB-CB 4.36Š| ||
| 15 | D | 22.3 | Very low | 29.4 | Very low | 156 Ų | 156 | 124.5 Ų | 124.5 | 83% | 0.834 | 69% | 0.691 | S | S | * | * | S | Bend | -50.3 | 139.4 | 96 | -94.1 | -37.4 | 0 | 0 | 0 | 115.5 | |||
| 16 | K | 27.8 | Very low | 29 | Very low | 168 Ų | 168 | 128 Ų | 128 | 73% | 0.73 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 79.8 | 34.4 | -168.7 | -52.9 | -179.1 | 179.4 | 176.5 | 0 | 116.7 | ||
| 17 | C | 22.8 | Very low | 28.9 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 70% | 0.696 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -155.2 | 99.2 | 144.9 | -108.3 | 0 | 0 | 0 | 0 | 108.3 | H14 | H14-C17 HydrophobicContact CB-CB 4.36Š|
| 18 | L | 24.8 | Very low | 29.3 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | S | Bend | cis | -119.5 | 120.2 | 13.3 | -72.2 | 75.8 | 0 | 0 | 0 | 112.6 | ||
| 19 | S | 27.2 | Very low | 29.2 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 56% | 0.559 | 72% | 0.72 | S | S | * | * | trans | -136.7 | 23.6 | 150.9 | 62.8 | 0 | 0 | 0 | 0 | 113.6 | A21 | S19-A21 PolarHBondContact O-N 2.84Š| ||
| 20 | M | 23 | Very low | 29.9 | Very low | 200 Ų | 200 | 133.4 Ų | 133.4 | 99% | 0.985 | 71% | 0.714 | S | S | * | * | trans | -76.2 | 53.3 | 143 | -83 | -170.2 | 66.7 | 0 | 0 | 110.2 | ||||
| 21 | A | 28.9 | Very low | 30.7 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 62% | 0.62 | 70% | 0.695 | S | S | * | * | trans | -130.5 | 54.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | S19 S23 | S19-A21 PolarHBondContact O-N 2.84Å; A21-S23 PolarHBondContact O-N 3.26Å | ||
| 22 | V | 25.2 | Very low | 31.8 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 81% | 0.812 | 68% | 0.675 | S | S | * | * | trans | -67.3 | 96.9 | 167.3 | 175 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 23 | S | 27.2 | Very low | 33.1 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | trans | -175.8 | 150.4 | 155.1 | -83.8 | 0 | 0 | 0 | 0 | 110.6 | A21 | A21-S23 PolarHBondContact O-N 3.26Š| ||
| 24 | N | 29 | Very low | 35.1 | Very low | 145 Ų | 145 | 121.1 Ų | 121.1 | 78% | 0.775 | 65% | 0.646 | S | S | * | * | trans | 59.6 | 80.9 | 164.8 | -53.4 | -19.2 | 0 | 0 | 0 | 115.2 | ||||
| 25 | S | 28.1 | Very low | 36.9 | Very low | 100 Ų | 100 | 117.4 Ų | 117.4 | 70% | 0.699 | 63% | 0.633 | S | S | * | * | 71.2 | 117.8 | 81.9 | 76.4 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 26 | K | 37.4 | Very low | 39 | Very low | 196 Ų | 196 | 111.7 Ų | 111.7 | 85% | 0.852 | 61% | 0.605 | S | S | * | * | trans | 58.7 | 62.5 | 164.3 | -59.3 | -177.5 | 179.7 | 177.4 | 0 | 116.4 | ||||
| 27 | D | 32.3 | Very low | 40.7 | Very low | 147 Ų | 147 | 110.1 Ų | 110.1 | 79% | 0.786 | 61% | 0.605 | S | S | * | * | trans | -141.5 | 56.9 | 147.6 | -131.3 | -22.6 | 0 | 0 | 0 | 112.6 | S29 | D27-S29 PolarHBondContact O-N 2.83Š| ||
| 28 | H | 34 | Very low | 43 | Very low | 170 Ų | 170 | 105.8 Ų | 105.8 | 79% | 0.787 | 58% | 0.575 | S | S | * | * | trans | -67.7 | 71.6 | 165.7 | -73 | -72.6 | 0 | 0 | 0 | 109.7 | F30 | H28-F30 HydrophobicContact CB-CD2 4.48Å; H28-F30 HydrophobicContact CB-CE2 4.46Å; H28-F30 WeakPolarHBondContact O-CD2 3.17Å; H28-F30 PolarHBondContact O-N 3.31Å | ||
| 29 | S | 42.7 | Very low | 45 | Very low | 60 Ų | 60 | 98.4 Ų | 98.4 | 42% | 0.42 | 54% | 0.536 | S | S | . | . | trans | -75.9 | 72.1 | 176.4 | 57.7 | 0 | 0 | 0 | 0 | 110 | D27 V31 K63 | D27-S29 PolarHBondContact O-N 2.83Å; S29-V31 PolarHBondContact O-N 3.45Å; S29-K63 PolarHBondContact O-NZ 3.41Å; S29-K63 PolarHBondContact OG-NZ 2.79Å | ||
| 30 | F | 46.1 | Very low | 47.1 | Very low | 167 Ų | 167 | 97.8 Ų | 97.8 | 73% | 0.732 | 53% | 0.525 | S | S | * | . | trans | -33 | 130.2 | -177 | -92 | -99.3 | 0 | 0 | 0 | 113.3 | H28 Q32 | H28-F30 HydrophobicContact CB-CD2 4.48Å; H28-F30 HydrophobicContact CB-CE2 4.46Å; H28-F30 WeakPolarHBondContact O-CD2 3.17Å; H28-F30 PolarHBondContact O-N 3.31Å; F30-Q32 PolarHBondContact O-N 3.09Å | ||
| 31 | V | 47 | Very low | 49.4 | Very low | 40 Ų | 40 | 96.7 Ų | 96.7 | 24% | 0.242 | 52% | 0.515 | C | S | . | . | trans | -65.6 | 116 | 156 | 172.5 | 0 | 0 | 0 | 0 | 106.3 | S29 Y33 E65 | S29-V31 PolarHBondContact O-N 3.45Å; V31-Y33 PolarHBondContact O-N 2.82Å; V31-E65 HydrophobicContact CG1-CG 4.38Å | ||
| 32 | Q | 57.3 | Low | 51.2 | Low | 81 Ų | 81 | 98.2 Ų | 98.2 | 38% | 0.379 | 51% | 0.508 | S | S | . | . | trans | -91.8 | 98 | -174.2 | -155.1 | 173.7 | 2.5 | 0 | 0 | 109.3 | F30 L38 Y62 I64 | F30-Q32 PolarHBondContact O-N 3.09Å; Q32-L38 HydrophobicContact CG-CD2 4.11Å; Q32-Y62 WeakPolarHBondContact CA-O 3.02Å; Q32-Y62 VanDerWaalsContact CB-O 3.3Å; Q32-Y62 WeakPolarHBondContact CB-O 3.44Å; Q32-Y62 PolarHBondContact N-O 2.98Å; Q32-I64 WeakPolarHBondContact O-CG1 3.5Å | ||
| 33 | Y | 63.3 | Low | 53.1 | Low | 128 Ų | 128 | 93 Ų | 93 | 50% | 0.502 | 48% | 0.476 | S | S | . | . | trans | -50.7 | 144.5 | 171.4 | -66.3 | -76.8 | 0 | 0 | 0 | 111.2 | V31 T35 | V31-Y33 PolarHBondContact O-N 2.82Å; Y33-T35 PolarHBondContact O-N 3.33Å | ||
| 34 | M | 65.2 | Low | 55 | Low | 0 Ų | 0 | 92.7 Ų | 92.7 | 0% | 0 | 48% | 0.479 | C | S | . | . | trans | -82.2 | 57.7 | -173.8 | -158.2 | 164.8 | 70.3 | 0 | 0 | 110.7 | L39 L55 I64 I67 E68 N69 L70 L81 | M34-L39 HydrophobicContact CG-CD1 4.31Å; M34-L39 HydrophobicContact CG-CD2 4.37Å; M34-L39 HydrophobicContact CG-CG 4.3Å; M34-L55 HydrophobicContact CG-CD1 3.59Å; M34-L55 HydrophobicContact SD-CD1 3.4Å; M34-L55 WeakPolarHBondContact SD-CD1 3.19Å; M34-I64 HydrophobicContact CB-CD1 4.46Å; M34-I64 HydrophobicContact CB-CG1 4.45Å; M34-I64 HydrophobicContact CB-CG2 4.17Å; M34-I64 HydrophobicContact CG-CD1 4.2Å; M34-I64 HydrophobicContact SD-CD1 3.94Å; M34-I64 HydrophobicContact SD-CG2 4.28Å; M34-I67 HydrophobicContact CE-CB 4.46Å; M34-I67 HydrophobicContact CE-CG2 3.91Å; M34-E68 HydrophobicContact CB-CG 4.2Å; M34-E68 WeakPolarHBondContact CE-O 3.45Å; M34-N69 WeakPolarHBondContact O-CB 3.35Å; M34-N69 PolarHBondContact O-ND2 2.7Å; M34-L70 HydrophobicContact CE-CD1 3.93Å; M34-L70 HydrophobicContact CE-CD2 3.86Å; M34-L70 HydrophobicContact CE-CG 3.54Å; M34-L81 HydrophobicContact CE-CD2 4.45Å; M34-L81 HydrophobicContact SD-CD2 3.65Å | ||
| 35 | T | 63.9 | Low | 56.8 | Low | 62 Ų | 62 | 88.8 Ų | 88.8 | 38% | 0.38 | 46% | 0.455 | S | S | . | . | trans | -63.2 | 149.9 | -177.3 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | Y33 N37 L38 L39 | Y33-T35 PolarHBondContact O-N 3.33Å; T35-N37 PolarHBondContact O-N 3.02Å; T35-L38 WeakPolarHBondContact O-CB 3.33Å; T35-L38 PolarHBondContact O-N 3.43Å; T35-L38 WeakPolarHBondContact OG1-CB 3.43Å; T35-L38 PolarHBondContact OG1-N 3.11Å; T35-L39 PolarHBondContact O-N 3.01Å | ||
| 36 | S | 64.8 | Low | 58.8 | Low | 35 Ų | 35 | 89.3 Ų | 89.3 | 25% | 0.245 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -54 | -39.5 | 172.8 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | L38 L39 M40 | S36-L38 PolarHBondContact O-N 2.84Å; S36-L39 PolarHBondContact O-N 3.24Å; S36-L39 VanDerWaalsContact O-N 3.15Å; S36-M40 WeakPolarHBondContact O-CB 3.22Å; S36-M40 VanDerWaalsContact O-CG 3.25Å; S36-M40 WeakPolarHBondContact O-CG 3.13Å; S36-M40 PolarHBondContact O-N 3.18Å |
| 37 | N | 65.2 | Low | 60 | Low | 135 Ų | 135 | 80.9 Ų | 80.9 | 72% | 0.722 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -59.8 | -37.1 | 173.6 | -72.9 | -18.5 | 0 | 0 | 0 | 114.1 | T35 K41 | T35-N37 PolarHBondContact O-N 3.02Å; N37-K41 WeakPolarHBondContact O-CB 3.16Å; N37-K41 PolarHBondContact O-N 3.47Å; N37-K41 VanDerWaalsContact O-N 3.1Å |
| 38 | L | 69.5 | Low | 61.8 | Low | 12 Ų | 12 | 76.9 Ų | 76.9 | 6% | 0.063 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.8 | -43.3 | 173.9 | 173.4 | 61 | 0 | 0 | 0 | 111.1 | Q32 T35 S36 K41 K42 L55 Y62 | Q32-L38 HydrophobicContact CG-CD2 4.11Å; T35-L38 WeakPolarHBondContact O-CB 3.33Å; T35-L38 PolarHBondContact O-N 3.43Å; T35-L38 WeakPolarHBondContact OG1-CB 3.43Å; T35-L38 PolarHBondContact OG1-N 3.11Å; S36-L38 PolarHBondContact O-N 2.84Å; L38-K41 PolarHBondContact O-N 2.89Å; L38-K42 HydrophobicContact CD1-CG 4Å; L38-K42 WeakPolarHBondContact O-CB 3.02Å; L38-K42 WeakPolarHBondContact O-CG 3.46Å; L38-K42 PolarHBondContact O-N 3.06Å; L38-L55 HydrophobicContact CD2-CD2 4.38Å; L38-L55 HydrophobicContact CG-CD2 4.27Å; L38-Y62 HydrophobicContact CD1-CD1 4.41Å; L38-Y62 HydrophobicContact CD1-CE1 4.11Å; L38-Y62 HydrophobicContact CD2-CD1 4.26Å |
| 39 | L | 68.1 | Low | 63.4 | Low | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.8 | -58.5 | 178 | -72.5 | 157.3 | 0 | 0 | 0 | 110.2 | M34 T35 S36 K41 K42 T43 V53 L55 N69 L70 F73 | M34-L39 HydrophobicContact CG-CD1 4.31Å; M34-L39 HydrophobicContact CG-CD2 4.37Å; M34-L39 HydrophobicContact CG-CG 4.3Å; T35-L39 PolarHBondContact O-N 3.01Å; S36-L39 PolarHBondContact O-N 3.24Å; S36-L39 VanDerWaalsContact O-N 3.15Å; L39-K41 VanDerWaalsContact C-N 3.25Å; L39-K41 PolarHBondContact O-N 3.07Å; L39-K42 CarbonylContact O-C 3.48Å; L39-K42 WeakPolarHBondContact O-CA 3.39Å; L39-K42 PolarHBondContact O-N 3.12Å; L39-T43 WeakPolarHBondContact O-CG2 3.36Å; L39-T43 PolarHBondContact O-N 3Å; L39-T43 PolarHBondContact O-OG1 3.41Å; L39-T43 VanDerWaalsContact O-OG1 3.09Å; L39-V53 HydrophobicContact CD2-CG1 3.87Å; L39-V53 HydrophobicContact CD2-CG2 4.44Å; L39-L55 HydrophobicContact CD2-CD1 3.59Å; L39-L55 HydrophobicContact CG-CD1 4.37Å; L39-N69 HydrophobicContact CD1-CB 3.85Å; L39-L70 HydrophobicContact CD1-CD2 4.11Å; L39-L70 HydrophobicContact CD2-CD2 3.57Å; L39-F73 HydrophobicContact CB-CE1 4.22Å; L39-F73 HydrophobicContact CB-CE2 4.01Å; L39-F73 HydrophobicContact CB-CZ 3.52Å; L39-F73 HydrophobicContact CD1-CD2 4.46Å; L39-F73 HydrophobicContact CD1-CE2 3.79Å; L39-F73 HydrophobicContact CD1-CZ 4.19Å; L39-F73 HydrophobicContact CD2-CZ 4.43Å; L39-F73 HydrophobicContact CG-CE2 4.34Å; L39-F73 HydrophobicContact CG-CZ 4.25Å |
| 40 | M | 70.7 | Confident | 64.9 | Low | 67 Ų | 67 | 68.9 Ų | 68.9 | 33% | 0.33 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -50.7 | -41.8 | 175.8 | -68.6 | -66.5 | -71.3 | 0 | 0 | 112.8 | S36 K42 T43 A44 K45 E46 P47 | S36-M40 WeakPolarHBondContact O-CB 3.22Å; S36-M40 VanDerWaalsContact O-CG 3.25Å; S36-M40 WeakPolarHBondContact O-CG 3.13Å; S36-M40 PolarHBondContact O-N 3.18Å; M40-K42 VanDerWaalsContact C-N 3.33Å; M40-K42 PolarHBondContact O-N 3.25Å; M40-T43 WeakPolarHBondContact CA-OG1 3.16Å; M40-T43 PolarHBondContact O-OG1 3.32Å; M40-A44 WeakPolarHBondContact O-CA 3.28Å; M40-A44 PolarHBondContact O-N 2.89Å; M40-K45 VanDerWaalsContact SD-O 3.39Å; M40-E46 HydrophobicContact CE-CG 4.38Å; M40-P47 HydrophobicContact SD-CG 3.92Å |
| 41 | K | 72.2 | Confident | 66.5 | Low | 177 Ų | 177 | 65.7 Ų | 65.7 | 77% | 0.77 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.9 | -24 | 177.5 | -176.6 | 169.4 | -178.4 | 173.1 | 0 | 113.8 | N37 L38 L39 | N37-K41 WeakPolarHBondContact O-CB 3.16Å; N37-K41 PolarHBondContact O-N 3.47Å; N37-K41 VanDerWaalsContact O-N 3.1Å; L38-K41 PolarHBondContact O-N 2.89Å; L39-K41 VanDerWaalsContact C-N 3.25Å; L39-K41 PolarHBondContact O-N 3.07Å |
| 42 | K | 66.3 | Low | 68 | Low | 107 Ų | 107 | 65.8 Ų | 65.8 | 47% | 0.465 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -95.5 | -21 | 179.5 | -77.2 | -76.7 | 168.6 | 161.9 | 0 | 113.6 | L38 L39 M40 L55 N60 Y62 | L38-K42 HydrophobicContact CD1-CG 4Å; L38-K42 WeakPolarHBondContact O-CB 3.02Å; L38-K42 WeakPolarHBondContact O-CG 3.46Å; L38-K42 PolarHBondContact O-N 3.06Å; L39-K42 CarbonylContact O-C 3.48Å; L39-K42 WeakPolarHBondContact O-CA 3.39Å; L39-K42 PolarHBondContact O-N 3.12Å; M40-K42 VanDerWaalsContact C-N 3.33Å; M40-K42 PolarHBondContact O-N 3.25Å; K42-L55 HydrophobicContact CB-CD2 4.2Å; K42-L55 HydrophobicContact CG-CD2 3.95Å; K42-N60 PolarHBondContact NZ-OD1 3.27Å; K42-Y62 VanDerWaalsContact CD-OH 3.26Å; K42-Y62 WeakPolarHBondContact CD-OH 3.09Å; K42-Y62 WeakPolarHBondContact CE-OH 3.29Å; K42-Y62 PolarHBondContact NZ-OH 3.4Å |
| 43 | T | 65.1 | Low | 69.2 | Low | 23 Ų | 23 | 62.2 Ų | 62.2 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -91.5 | -27 | 174 | 59.1 | 0 | 0 | 0 | 0 | 111.9 | L39 M40 K45 T50 V53 F73 | L39-T43 WeakPolarHBondContact O-CG2 3.36Å; L39-T43 PolarHBondContact O-N 3Å; L39-T43 PolarHBondContact O-OG1 3.41Å; L39-T43 VanDerWaalsContact O-OG1 3.09Å; M40-T43 WeakPolarHBondContact CA-OG1 3.16Å; M40-T43 PolarHBondContact O-OG1 3.32Å; T43-K45 PolarHBondContact O-N 2.88Å; T43-K45 PolarHBondContact OG1-N 3.29Å; T43-K45 PolarHBondContact OG1-O 3.4Å; T43-T50 HydrophobicContact CG2-CG2 3.31Å; T43-V53 HydrophobicContact CG2-CG2 4.21Å; T43-F73 HydrophobicContact CG2-CE1 4.08Å |
| 44 | A | 66.5 | Low | 69.9 | Low | 93 Ų | 93 | 60.7 Ų | 60.7 | 77% | 0.769 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 52.5 | 27.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M40 | M40-A44 WeakPolarHBondContact O-CA 3.28Å; M40-A44 PolarHBondContact O-N 2.89Å |
| 45 | K | 66.2 | Low | 70.7 | Confident | 63 Ų | 63 | 60.7 Ų | 60.7 | 27% | 0.274 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -151.9 | 153.1 | -168.5 | -78.9 | -172.9 | 169.5 | -166.9 | 0 | 109.6 | M40 T43 Q49 | M40-K45 VanDerWaalsContact SD-O 3.39Å; T43-K45 PolarHBondContact O-N 2.88Å; T43-K45 PolarHBondContact OG1-N 3.29Å; T43-K45 PolarHBondContact OG1-O 3.4Å; K45-Q49 HydrophobicContact CB-CB 4.23Å; K45-Q49 HydrophobicContact CD-CB 4.22Å; K45-Q49 WeakPolarHBondContact CD-O 2.95Å |
| 46 | E | 70.4 | Confident | 71.3 | Confident | 111 Ų | 111 | 58.5 Ų | 58.5 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | trans | -62.2 | 157.5 | 172.3 | -63.8 | 176.9 | 152 | 0 | 0 | 111.8 | M40 V48 Q49 T50 | M40-E46 HydrophobicContact CE-CG 4.38Å; E46-V48 VanDerWaalsContact C-N 3.28Å; E46-V48 PolarHBondContact O-N 2.79Å; E46-Q49 HydrophobicContact CB-CG 4.18Å; E46-Q49 PolarHBondContact O-N 3.01Å; E46-Q49 PolarHBondContact OE2-NE2 2.86Å; E46-T50 PolarHBondContact O-OG1 3.09Å | ||
| 47 | P | 63.9 | Low | 72 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 13% | 0.13 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -59.6 | -39.9 | -173.1 | -26.6 | 38.2 | 0 | 0 | 0 | 113.1 | M40 Q49 T50 Q72 F73 | M40-P47 HydrophobicContact SD-CG 3.92Å; P47-Q49 VanDerWaalsContact C-N 3.29Å; P47-Q49 PolarHBondContact O-N 3.35Å; P47-T50 WeakPolarHBondContact O-CB 3.04Å; P47-T50 PolarHBondContact O-N 2.78Å; P47-Q72 HydrophobicContact CB-CB 3.55Å; P47-Q72 VanDerWaalsContact CB-O 3.24Å; P47-Q72 WeakPolarHBondContact CB-O 3.36Å; P47-Q72 HydrophobicContact CG-CB 3.97Å; P47-F73 HydrophobicContact CB-CD1 4.06Å; P47-F73 HydrophobicContact CB-CD2 3.89Å; P47-F73 HydrophobicContact CB-CE1 3.87Å; P47-F73 HydrophobicContact CB-CE2 3.69Å; P47-F73 HydrophobicContact CB-CG 4.05Å; P47-F73 HydrophobicContact CB-CZ 3.65Å; P47-F73 HydrophobicContact CG-CE1 4.38Å; P47-F73 HydrophobicContact CG-CE2 4.01Å; P47-F73 HydrophobicContact CG-CZ 3.82Å |
| 48 | V | 70.2 | Confident | 72.1 | Confident | 62 Ų | 62 | 58.6 Ų | 58.6 | 38% | 0.376 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -60.8 | -36.6 | 177.1 | -170.5 | 0 | 0 | 0 | 0 | 111.8 | E46 T50 E75 Y1290 | E46-V48 VanDerWaalsContact C-N 3.28Å; E46-V48 PolarHBondContact O-N 2.79Å; V48-T50 PolarHBondContact O-N 2.98Å; V48-E75 WeakPolarHBondContact O-CB 3.48Å; V48-Y1290 WeakPolarHBondContact CG1-O 3.45Å |
| 49 | Q | 67.8 | Low | 72.1 | Confident | 59 Ų | 59 | 65 Ų | 65 | 28% | 0.276 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -83.5 | 5.5 | -175.6 | -53.2 | -179.3 | 23.6 | 0 | 0 | 113.7 | K45 E46 P47 | K45-Q49 HydrophobicContact CB-CB 4.23Å; K45-Q49 HydrophobicContact CD-CB 4.22Å; K45-Q49 WeakPolarHBondContact CD-O 2.95Å; E46-Q49 HydrophobicContact CB-CG 4.18Å; E46-Q49 PolarHBondContact O-N 3.01Å; E46-Q49 PolarHBondContact OE2-NE2 2.86Å; P47-Q49 VanDerWaalsContact C-N 3.29Å; P47-Q49 PolarHBondContact O-N 3.35Å |
| 50 | T | 74.2 | Confident | 72 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | trans | -105.6 | 92.4 | -167.2 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | T43 E46 P47 V48 A52 V53 F73 L76 | T43-T50 HydrophobicContact CG2-CG2 3.31Å; E46-T50 PolarHBondContact O-OG1 3.09Å; P47-T50 WeakPolarHBondContact O-CB 3.04Å; P47-T50 PolarHBondContact O-N 2.78Å; V48-T50 PolarHBondContact O-N 2.98Å; T50-A52 VanDerWaalsContact C-N 3.35Å; T50-V53 HydrophobicContact CG2-CG2 3.58Å; T50-F73 HydrophobicContact CG2-CD1 3.82Å; T50-F73 HydrophobicContact CG2-CE1 4.12Å; T50-L76 WeakPolarHBondContact O-CA 3.25Å | ||
| 51 | Y | 78.5 | Confident | 71.9 | Confident | 101 Ų | 101 | 70 Ų | 70 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -74 | -18.9 | 174.5 | 52.9 | -98.7 | 0 | 0 | 0 | 114.6 | R77 Q78 D1292 | Y51-R77 PolarHBondContact O-N 2.99Å; Y51-Q78 PolarHBondContact O-N 3.04Å; Y51-D1292 WeakPolarHBondContact CD1-O 2.8Å |
| 52 | A | 78.8 | Confident | 72 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 35% | 0.347 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 129 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | T50 Q78 | T50-A52 VanDerWaalsContact C-N 3.35Å; A52-Q78 VanDerWaalsContact CA-O 3.29Å; A52-Q78 WeakPolarHBondContact CA-O 3.44Å; A52-Q78 HydrophobicContact CB-CB 4.15Å |
| 53 | V | 81.9 | Confident | 72.4 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 114 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 108.3 | L39 T43 T50 L55 F73 L76 Q78 L79 N80 | L39-V53 HydrophobicContact CD2-CG1 3.87Å; L39-V53 HydrophobicContact CD2-CG2 4.44Å; T43-V53 HydrophobicContact CG2-CG2 4.21Å; T50-V53 HydrophobicContact CG2-CG2 3.58Å; V53-L55 HydrophobicContact CG1-CB 4.5Å; V53-L55 HydrophobicContact CG1-CD1 3.88Å; V53-L55 HydrophobicContact CG1-CG 3.8Å; V53-F73 HydrophobicContact CG2-CD1 4.12Å; V53-L76 HydrophobicContact CB-CD1 3.94Å; V53-L76 HydrophobicContact CB-CD2 4.06Å; V53-L76 HydrophobicContact CG2-CD1 3.73Å; V53-L76 HydrophobicContact CG2-CD2 3.83Å; V53-L76 HydrophobicContact CG2-CG 4.46Å; V53-L76 VanDerWaalsContact N-CD1 3.35Å; V53-Q78 PolarHBondContact N-O 3.38Å; V53-L79 HydrophobicContact CB-CD1 4.01Å; V53-L79 HydrophobicContact CG1-CD1 3.99Å; V53-N80 PolarHBondContact O-N 2.72Å |
| 54 | N | 79.1 | Confident | 72.9 | Confident | 96 Ų | 96 | 58 Ų | 58 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 87.7 | 174.8 | -172.5 | 1.3 | 0 | 0 | 0 | 110.9 | S56 N80 | N54-S56 WeakPolarHBondContact OD1-CB 3.18Å; N54-S56 PolarHBondContact OD1-N 2.86Å; N54-S56 PolarHBondContact OD1-OG 3.17Å; N54-N80 HydrophobicContact CB-CB 4.5Å; N54-N80 PolarHBondContact OD1-ND2 3.39Å |
| 55 | L | 80.9 | Confident | 73.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -103 | 35.1 | 171.2 | -67.6 | 175.5 | 0 | 0 | 0 | 110.9 | M34 L38 L39 K42 V53 N57 Y62 I64 N80 L81 N84 | M34-L55 HydrophobicContact CG-CD1 3.59Å; M34-L55 HydrophobicContact SD-CD1 3.4Å; M34-L55 WeakPolarHBondContact SD-CD1 3.19Å; L38-L55 HydrophobicContact CD2-CD2 4.38Å; L38-L55 HydrophobicContact CG-CD2 4.27Å; L39-L55 HydrophobicContact CD2-CD1 3.59Å; L39-L55 HydrophobicContact CG-CD1 4.37Å; K42-L55 HydrophobicContact CB-CD2 4.2Å; K42-L55 HydrophobicContact CG-CD2 3.95Å; V53-L55 HydrophobicContact CG1-CB 4.5Å; V53-L55 HydrophobicContact CG1-CD1 3.88Å; V53-L55 HydrophobicContact CG1-CG 3.8Å; L55-N57 PolarHBondContact O-N 2.65Å; L55-Y62 HydrophobicContact CB-CD2 4.32Å; L55-Y62 HydrophobicContact CB-CE2 4.15Å; L55-Y62 HydrophobicContact CD2-CD2 4.44Å; L55-Y62 HydrophobicContact CD2-CE1 4.2Å; L55-Y62 HydrophobicContact CD2-CE2 3.91Å; L55-Y62 WeakPolarHBondContact O-CD2 3.44Å; L55-I64 HydrophobicContact CB-CD1 3.97Å; L55-I64 HydrophobicContact CD1-CD1 4.19Å; L55-N80 CarbonylContact C-O 3.48Å; L55-N80 PolarHBondContact N-O 2.87Å; L55-L81 HydrophobicContact CB-CD2 4.09Å; L55-N84 PolarHBondContact O-ND2 3.07Å | ||
| 56 | S | 77.3 | Confident | 73.8 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | trans | -69.1 | 132.9 | 173.2 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | N54 K58 N60 N80 S82 | N54-S56 WeakPolarHBondContact OD1-CB 3.18Å; N54-S56 PolarHBondContact OD1-N 2.86Å; N54-S56 PolarHBondContact OD1-OG 3.17Å; S56-K58 PolarHBondContact O-N 3.46Å; S56-N60 PolarHBondContact O-ND2 2.72Å; S56-N80 PolarHBondContact N-O 2.94Å; S56-N80 PolarHBondContact OG-ND2 2.71Å; S56-S82 CarbonylContact C-O 3.36Å; S56-S82 WeakPolarHBondContact CA-O 3.11Å; S56-S82 WeakPolarHBondContact CB-O 3.12Å; S56-S82 WeakPolarHBondContact CB-OG 3.37Å | ||
| 57 | N | 80.3 | Confident | 74.2 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 18% | 0.176 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -81.6 | 2 | -173.7 | -155.8 | 44.2 | 0 | 0 | 0 | 112.9 | L55 N59 N60 Y62 K63 S82 Y83 | L55-N57 PolarHBondContact O-N 2.65Å; N57-N59 VanDerWaalsContact C-N 3.3Å; N57-N59 PolarHBondContact O-N 3.44Å; N57-N60 PolarHBondContact O-N 2.56Å; N57-N60 PolarHBondContact OD1-O 2.89Å; N57-Y62 PolarHBondContact OD1-N 2.96Å; N57-K63 PolarHBondContact OD1-N 2.8Å; N57-S82 PolarHBondContact N-O 2.95Å; N57-Y83 WeakPolarHBondContact CB-O 3.31Å; N57-Y83 PolarHBondContact ND2-O 3Å; N57-Y83 VanDerWaalsContact ND2-O 3.1Å |
| 58 | K | 67.1 | Low | 74.8 | Confident | 139 Ų | 139 | 53.4 Ų | 53.4 | 60% | 0.604 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -63 | -34.5 | -171.5 | -169.2 | 175.7 | 178.5 | 173.3 | 0 | 113.6 | S56 Y83 | S56-K58 PolarHBondContact O-N 3.46Å; K58-Y83 HydrophobicContact CB-CD2 3.89Å; K58-Y83 HydrophobicContact CB-CE2 4.23Å; K58-Y83 HydrophobicContact CB-CG 4.15Å; K58-Y83 HydrophobicContact CD-CD2 4.5Å; K58-Y83 HydrophobicContact CD-CE2 3.98Å; K58-Y83 HydrophobicContact CG-CD2 4.44Å; K58-Y83 HydrophobicContact CG-CE2 4.36Å |
| 59 | N | 69.8 | Low | 75 | Confident | 146 Ų | 146 | 53 Ų | 53 | 78% | 0.781 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -124.3 | 17.9 | 178.1 | -61 | 25.3 | 0 | 0 | 0 | 111.5 | N57 | N57-N59 VanDerWaalsContact C-N 3.3Å; N57-N59 PolarHBondContact O-N 3.44Å |
| 60 | N | 65 | Low | 75.5 | Confident | 47 Ų | 47 | 50.2 Ų | 50.2 | 25% | 0.251 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -136.8 | 162.9 | -175.3 | -61.1 | -82.6 | 0 | 0 | 0 | 109.3 | K42 S56 N57 Y62 | K42-N60 PolarHBondContact NZ-OD1 3.27Å; S56-N60 PolarHBondContact O-ND2 2.72Å; N57-N60 PolarHBondContact O-N 2.56Å; N57-N60 PolarHBondContact OD1-O 2.89Å; N60-Y62 HydrophobicContact CB-CD1 4.1Å; N60-Y62 HydrophobicContact CB-CD2 3.61Å; N60-Y62 HydrophobicContact CB-CE1 3.85Å; N60-Y62 HydrophobicContact CB-CE2 3.32Å; N60-Y62 HydrophobicContact CB-CG 4Å; N60-Y62 VanDerWaalsContact CB-CZ 3.47Å; N60-Y62 VanDerWaalsContact CG-CE2 3.4Å; N60-Y62 VanDerWaalsContact CG-OH 3.27Å; N60-Y62 WeakPolarHBondContact ND2-CE2 3.42Å; N60-Y62 PolarHBondContact ND2-OH 2.94Å; N60-Y62 PolarHBondContact OD1-OH 2.92Å; N60-Y62 VanDerWaalsContact OD1-OH 3.1Å |
| 61 | N | 68.7 | Low | 75.4 | Confident | 127 Ų | 127 | 55.1 Ų | 55.1 | 68% | 0.679 | 28% | 0.275 | S | S | * | . | trans | -108.5 | 37.1 | 178.2 | -75.9 | -18.7 | 0 | 0 | 0 | 112.5 | ||||
| 62 | Y | 73.3 | Confident | 75.2 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | trans | -69.6 | -42.5 | -177 | -45 | -56.2 | 0 | 0 | 0 | 112.9 | Q32 L38 K42 L55 N57 N60 I64 | Q32-Y62 WeakPolarHBondContact CA-O 3.02Å; Q32-Y62 VanDerWaalsContact CB-O 3.3Å; Q32-Y62 WeakPolarHBondContact CB-O 3.44Å; Q32-Y62 PolarHBondContact N-O 2.98Å; L38-Y62 HydrophobicContact CD1-CD1 4.41Å; L38-Y62 HydrophobicContact CD1-CE1 4.11Å; L38-Y62 HydrophobicContact CD2-CD1 4.26Å; K42-Y62 VanDerWaalsContact CD-OH 3.26Å; K42-Y62 WeakPolarHBondContact CD-OH 3.09Å; K42-Y62 WeakPolarHBondContact CE-OH 3.29Å; K42-Y62 PolarHBondContact NZ-OH 3.4Å; L55-Y62 HydrophobicContact CB-CD2 4.32Å; L55-Y62 HydrophobicContact CB-CE2 4.15Å; L55-Y62 HydrophobicContact CD2-CD2 4.44Å; L55-Y62 HydrophobicContact CD2-CE1 4.2Å; L55-Y62 HydrophobicContact CD2-CE2 3.91Å; L55-Y62 WeakPolarHBondContact O-CD2 3.44Å; N57-Y62 PolarHBondContact OD1-N 2.96Å; N60-Y62 HydrophobicContact CB-CD1 4.1Å; N60-Y62 HydrophobicContact CB-CD2 3.61Å; N60-Y62 HydrophobicContact CB-CE1 3.85Å; N60-Y62 HydrophobicContact CB-CE2 3.32Å; N60-Y62 HydrophobicContact CB-CG 4Å; N60-Y62 VanDerWaalsContact CB-CZ 3.47Å; N60-Y62 VanDerWaalsContact CG-CE2 3.4Å; N60-Y62 VanDerWaalsContact CG-OH 3.27Å; N60-Y62 WeakPolarHBondContact ND2-CE2 3.42Å; N60-Y62 PolarHBondContact ND2-OH 2.94Å; N60-Y62 PolarHBondContact OD1-OH 2.92Å; N60-Y62 VanDerWaalsContact OD1-OH 3.1Å; Y62-I64 VanDerWaalsContact C-N 3.26Å; Y62-I64 HydrophobicContact CD2-CD1 4.41Å; Y62-I64 HydrophobicContact CG-CD1 4.31Å; Y62-I64 PolarHBondContact O-N 2.76Å | ||
| 63 | K | 74.9 | Confident | 75.1 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | trans | 51.4 | 36.3 | -178.3 | -50.9 | 175 | -176.2 | 175.5 | 0 | 114.3 | S29 N57 E65 | S29-K63 PolarHBondContact O-NZ 3.41Å; S29-K63 PolarHBondContact OG-NZ 2.79Å; N57-K63 PolarHBondContact OD1-N 2.8Å; K63-E65 PolarHBondContact O-N 2.6Å | ||
| 64 | I | 77.2 | Confident | 74.9 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | trans | -61.3 | 127.8 | -168.8 | -66.3 | 153.6 | 0 | 0 | 0 | 111.7 | Q32 M34 L55 Y62 K66 N84 R85 | Q32-I64 WeakPolarHBondContact O-CG1 3.5Å; M34-I64 HydrophobicContact CB-CD1 4.46Å; M34-I64 HydrophobicContact CB-CG1 4.45Å; M34-I64 HydrophobicContact CB-CG2 4.17Å; M34-I64 HydrophobicContact CG-CD1 4.2Å; M34-I64 HydrophobicContact SD-CD1 3.94Å; M34-I64 HydrophobicContact SD-CG2 4.28Å; L55-I64 HydrophobicContact CB-CD1 3.97Å; L55-I64 HydrophobicContact CD1-CD1 4.19Å; Y62-I64 VanDerWaalsContact C-N 3.26Å; Y62-I64 HydrophobicContact CD2-CD1 4.41Å; Y62-I64 HydrophobicContact CG-CD1 4.31Å; Y62-I64 PolarHBondContact O-N 2.76Å; I64-K66 WeakPolarHBondContact CG2-O 3Å; I64-N84 HydrophobicContact CB-CB 4.22Å; I64-N84 WeakPolarHBondContact CB-OD1 3.19Å; I64-N84 PolarHBondContact N-OD1 3.34Å; I64-N84 WeakPolarHBondContact O-CB 3.37Å; I64-R85 CarbonylContact O-C 3.4Å; I64-R85 WeakPolarHBondContact O-CA 3.39Å; I64-R85 PolarHBondContact O-N 2.81Å | ||
| 65 | E | 77 | Confident | 74.9 | Confident | 81 Ų | 81 | 53.5 Ų | 53.5 | 38% | 0.379 | 27% | 0.267 | S | S | . | . | trans | -100.1 | -22.5 | -179.4 | -73.8 | 172.2 | 178.4 | 0 | 0 | 113.3 | V31 K63 R85 | V31-E65 HydrophobicContact CG1-CG 4.38Å; K63-E65 PolarHBondContact O-N 2.6Å; E65-R85 HydrophobicContact CB-CB 4.49Å; E65-R85 HydrophobicContact CG-CB 3.57Å; E65-R85 HydrophobicContact CG-CG 4.42Å; E65-R85 WeakPolarHBondContact OE1-CD 3.43Å; E65-R85 IonicContact OE1-NH1 3.49Å; E65-R85 PolarHBondContact OE1-NH1 2.6Å | ||
| 66 | K | 73.6 | Confident | 75 | Confident | 87 Ų | 87 | 53.5 Ų | 53.5 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -131.9 | 143.5 | 179.9 | -68.2 | -170.1 | 178.3 | -172.3 | 0 | 112.1 | I64 N1205 | I64-K66 WeakPolarHBondContact CG2-O 3Å; K66-N1205 HydrophobicContact CD-CB 4.22Å; K66-N1205 PolarHBondContact NZ-OD1 3.28Å |
| 67 | I | 78.8 | Confident | 75.4 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | trans | -88.8 | 108.2 | 167.3 | -49.4 | -178.2 | 0 | 0 | 0 | 107.6 | M34 L70 L81 I86 I89 S90 L92 | M34-I67 HydrophobicContact CE-CB 4.46Å; M34-I67 HydrophobicContact CE-CG2 3.91Å; I67-L70 HydrophobicContact CG2-CD1 3.64Å; I67-L70 HydrophobicContact CG2-CG 4.19Å; I67-L81 HydrophobicContact CD1-CD1 3.64Å; I67-L81 HydrophobicContact CG1-CD1 3.86Å; I67-L81 HydrophobicContact CG2-CD1 4.28Å; I67-I86 HydrophobicContact CD1-CD1 4.14Å; I67-I86 HydrophobicContact CD1-CG2 4.05Å; I67-I86 HydrophobicContact CG1-CD1 3.78Å; I67-I86 HydrophobicContact CG1-CG1 4.18Å; I67-I86 HydrophobicContact CG1-CG2 3.92Å; I67-I89 HydrophobicContact CD1-CG2 4.36Å; I67-S90 VanDerWaalsContact CB-O 3.24Å; I67-S90 WeakPolarHBondContact CB-O 3.46Å; I67-S90 WeakPolarHBondContact CG2-O 3.12Å; I67-S90 PolarHBondContact O-OG 3.33Å; I67-L92 HydrophobicContact CD1-CD2 4.11Å; I67-L92 HydrophobicContact CD1-CG 4.3Å; I67-L92 HydrophobicContact CG2-CD2 3.71Å | ||
| 68 | E | 76.9 | Confident | 75.6 | Confident | 17 Ų | 17 | 61.7 Ų | 61.7 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | trans | -143.3 | 158.8 | -177 | 56.9 | -171.6 | -171.8 | 0 | 0 | 109.2 | M34 L70 N1205 | M34-E68 HydrophobicContact CB-CG 4.2Å; M34-E68 WeakPolarHBondContact CE-O 3.45Å; E68-L70 PolarHBondContact O-N 3.22Å; E68-N1205 WeakPolarHBondContact OE2-CB 3.46Å; E68-N1205 PolarHBondContact OE2-ND2 2.76Å | ||
| 69 | N | 74.1 | Confident | 76.6 | Confident | 55 Ų | 55 | 55.1 Ų | 55.1 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 60.3 | 1.5 | -178.6 | -50.3 | -65.9 | 0 | 0 | 0 | 117.8 | M34 L39 E71 F73 | M34-N69 WeakPolarHBondContact O-CB 3.35Å; M34-N69 PolarHBondContact O-ND2 2.7Å; L39-N69 HydrophobicContact CD1-CB 3.85Å; N69-E71 PolarHBondContact O-N 2.92Å; N69-F73 WeakPolarHBondContact O-CD2 3.34Å; N69-F73 WeakPolarHBondContact O-CE2 3.48Å |
| 70 | L | 78.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -71.6 | -9.2 | 168.2 | -63.3 | -173.5 | 0 | 0 | 0 | 113.4 | M34 L39 I67 E68 Q72 F73 L76 L79 L81 L92 L95 | M34-L70 HydrophobicContact CE-CD1 3.93Å; M34-L70 HydrophobicContact CE-CD2 3.86Å; M34-L70 HydrophobicContact CE-CG 3.54Å; L39-L70 HydrophobicContact CD1-CD2 4.11Å; L39-L70 HydrophobicContact CD2-CD2 3.57Å; I67-L70 HydrophobicContact CG2-CD1 3.64Å; I67-L70 HydrophobicContact CG2-CG 4.19Å; E68-L70 PolarHBondContact O-N 3.22Å; L70-Q72 PolarHBondContact O-N 2.98Å; L70-Q72 VanDerWaalsContact O-N 3.13Å; L70-F73 WeakPolarHBondContact O-CB 3.04Å; L70-F73 PolarHBondContact O-N 3.34Å; L70-L76 HydrophobicContact CD2-CD2 4.46Å; L70-L79 HydrophobicContact CD1-CD1 3.71Å; L70-L79 HydrophobicContact CD1-CD2 3.44Å; L70-L79 VanDerWaalsContact CD1-CD2 3.44Å; L70-L79 HydrophobicContact CD1-CG 4.24Å; L70-L81 HydrophobicContact CD1-CD1 4.49Å; L70-L92 HydrophobicContact CD1-CD2 3.94Å; L70-L95 HydrophobicContact CB-CD1 4.44Å; L70-L95 HydrophobicContact CB-CD2 4.48Å; L70-L95 HydrophobicContact CD1-CD1 4.22Å; L70-L95 WeakPolarHBondContact O-CD2 3.2Å |
| 71 | E | 72.6 | Confident | 78.4 | Confident | 105 Ų | 105 | 47.7 Ų | 47.7 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -59.3 | -30.2 | -174.5 | -70.6 | 163.9 | -166.9 | 0 | 0 | 112.8 | N69 F73 T94 | N69-E71 PolarHBondContact O-N 2.92Å; E71-F73 VanDerWaalsContact C-N 3.31Å; E71-F73 PolarHBondContact O-N 3.02Å; E71-T94 HydrophobicContact CB-CG2 4.38Å; E71-T94 HydrophobicContact CG-CG2 4.35Å |
| 72 | Q | 73 | Confident | 79.1 | Confident | 101 Ų | 101 | 41.8 Ų | 41.8 | 47% | 0.472 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -75.7 | -13.9 | 175.6 | -60.4 | 175.4 | -20.2 | 0 | 0 | 113.7 | P47 L70 C74 | P47-Q72 HydrophobicContact CB-CB 3.55Å; P47-Q72 VanDerWaalsContact CB-O 3.24Å; P47-Q72 WeakPolarHBondContact CB-O 3.36Å; P47-Q72 HydrophobicContact CG-CB 3.97Å; L70-Q72 PolarHBondContact O-N 2.98Å; L70-Q72 VanDerWaalsContact O-N 3.13Å; Q72-C74 VanDerWaalsContact C-N 3.34Å; Q72-C74 PolarHBondContact O-N 2.87Å |
| 73 | F | 78 | Confident | 79.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -96.1 | 51.2 | -170.8 | -65.8 | -102 | 0 | 0 | 0 | 111 | L39 T43 P47 T50 V53 N69 L70 E71 E75 L76 L95 | L39-F73 HydrophobicContact CB-CE1 4.22Å; L39-F73 HydrophobicContact CB-CE2 4.01Å; L39-F73 HydrophobicContact CB-CZ 3.52Å; L39-F73 HydrophobicContact CD1-CD2 4.46Å; L39-F73 HydrophobicContact CD1-CE2 3.79Å; L39-F73 HydrophobicContact CD1-CZ 4.19Å; L39-F73 HydrophobicContact CD2-CZ 4.43Å; L39-F73 HydrophobicContact CG-CE2 4.34Å; L39-F73 HydrophobicContact CG-CZ 4.25Å; T43-F73 HydrophobicContact CG2-CE1 4.08Å; P47-F73 HydrophobicContact CB-CD1 4.06Å; P47-F73 HydrophobicContact CB-CD2 3.89Å; P47-F73 HydrophobicContact CB-CE1 3.87Å; P47-F73 HydrophobicContact CB-CE2 3.69Å; P47-F73 HydrophobicContact CB-CG 4.05Å; P47-F73 HydrophobicContact CB-CZ 3.65Å; P47-F73 HydrophobicContact CG-CE1 4.38Å; P47-F73 HydrophobicContact CG-CE2 4.01Å; P47-F73 HydrophobicContact CG-CZ 3.82Å; T50-F73 HydrophobicContact CG2-CD1 3.82Å; T50-F73 HydrophobicContact CG2-CE1 4.12Å; V53-F73 HydrophobicContact CG2-CD1 4.12Å; N69-F73 WeakPolarHBondContact O-CD2 3.34Å; N69-F73 WeakPolarHBondContact O-CE2 3.48Å; L70-F73 WeakPolarHBondContact O-CB 3.04Å; L70-F73 PolarHBondContact O-N 3.34Å; E71-F73 VanDerWaalsContact C-N 3.31Å; E71-F73 PolarHBondContact O-N 3.02Å; F73-E75 VanDerWaalsContact C-N 3.31Å; F73-E75 PolarHBondContact O-N 3.32Å; F73-L76 HydrophobicContact CB-CB 4.22Å; F73-L76 HydrophobicContact CB-CD2 4.19Å; F73-L76 WeakPolarHBondContact O-CB 3.34Å; F73-L76 PolarHBondContact O-N 2.73Å; F73-L95 VanDerWaalsContact O-CD2 3.24Å; F73-L95 WeakPolarHBondContact O-CD2 3.36Å | ||
| 74 | C | 76.6 | Confident | 80 | Confident | 62 Ų | 62 | 43.7 Ų | 43.7 | 42% | 0.419 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -38.6 | -169.6 | -53.9 | 0 | 0 | 0 | 0 | 113.8 | Q72 L76 | Q72-C74 VanDerWaalsContact C-N 3.34Å; Q72-C74 PolarHBondContact O-N 2.87Å; C74-L76 PolarHBondContact O-N 2.57Å |
| 75 | E | 78.7 | Confident | 80.2 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 7.8 | 177.8 | -85.2 | -56.8 | 125 | 0 | 0 | 114.7 | V48 F73 R77 H97 | V48-E75 WeakPolarHBondContact O-CB 3.48Å; F73-E75 VanDerWaalsContact C-N 3.31Å; F73-E75 PolarHBondContact O-N 3.32Å; E75-R77 WeakPolarHBondContact O-CG 3.09Å; E75-R77 PolarHBondContact O-N 3.4Å; E75-R77 IonicContact OE2-CZ 4Å; E75-R77 IonicContact OE2-NE 2.89Å; E75-R77 PolarHBondContact OE2-NE 3.48Å; E75-R77 IonicContact OE2-NH2 3.17Å; E75-R77 PolarHBondContact OE2-NH2 3.38Å; E75-H97 IonicContact OE1-CD2 2.62Å; E75-H97 IonicContact OE1-CE1 3.29Å; E75-H97 IonicContact OE1-CG 3.02Å; E75-H97 IonicContact OE1-NE2 2.62Å |
| 76 | L | 83.5 | Confident | 80.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -68.8 | 100.4 | -175.4 | -175.7 | 52.2 | 0 | 0 | 0 | 112.1 | T50 V53 L70 F73 C74 Q78 L79 L95 L98 | T50-L76 WeakPolarHBondContact O-CA 3.25Å; V53-L76 HydrophobicContact CB-CD1 3.94Å; V53-L76 HydrophobicContact CB-CD2 4.06Å; V53-L76 HydrophobicContact CG2-CD1 3.73Å; V53-L76 HydrophobicContact CG2-CD2 3.83Å; V53-L76 HydrophobicContact CG2-CG 4.46Å; V53-L76 VanDerWaalsContact N-CD1 3.35Å; L70-L76 HydrophobicContact CD2-CD2 4.46Å; F73-L76 HydrophobicContact CB-CB 4.22Å; F73-L76 HydrophobicContact CB-CD2 4.19Å; F73-L76 WeakPolarHBondContact O-CB 3.34Å; F73-L76 PolarHBondContact O-N 2.73Å; C74-L76 PolarHBondContact O-N 2.57Å; L76-Q78 WeakPolarHBondContact CD1-O 3.16Å; L76-L79 HydrophobicContact CD2-CB 4.1Å; L76-L79 HydrophobicContact CD2-CD1 4.03Å; L76-L79 HydrophobicContact CD2-CG 4.44Å; L76-L79 HydrophobicContact CG-CB 4.32Å; L76-L95 HydrophobicContact CB-CD2 4.24Å; L76-L95 HydrophobicContact CD2-CD1 4.16Å; L76-L95 HydrophobicContact CD2-CD2 4.46Å; L76-L98 HydrophobicContact CG-CD1 4.32Å; L76-L98 VanDerWaalsContact O-CA 3.24Å; L76-L98 WeakPolarHBondContact O-CA 2.73Å; L76-L98 WeakPolarHBondContact O-CD1 3.1Å; L76-L98 PolarHBondContact O-N 2.95Å | ||
| 77 | R | 85.5 | Confident | 80.8 | Confident | 113 Ų | 113 | 45.4 Ų | 45.4 | 43% | 0.426 | 22% | 0.216 | S | C | . | . | trans | -85.8 | -25.7 | -179.9 | -68.3 | 165.3 | -162.7 | -158.1 | 3.4 | 113.2 | Y51 E75 H97 T99 V100 | Y51-R77 PolarHBondContact O-N 2.99Å; E75-R77 WeakPolarHBondContact O-CG 3.09Å; E75-R77 PolarHBondContact O-N 3.4Å; E75-R77 IonicContact OE2-CZ 4Å; E75-R77 IonicContact OE2-NE 2.89Å; E75-R77 PolarHBondContact OE2-NE 3.48Å; E75-R77 IonicContact OE2-NH2 3.17Å; E75-R77 PolarHBondContact OE2-NH2 3.38Å; R77-H97 WeakPolarHBondContact CA-O 3.3Å; R77-H97 HydrophobicContact CG-CB 4.25Å; R77-T99 PolarHBondContact O-N 2.77Å; R77-T99 PolarHBondContact O-OG1 3.05Å; R77-V100 PolarHBondContact O-N 2.69Å | ||
| 78 | Q | 85.6 | Confident | 80.8 | Confident | 107 Ų | 107 | 51.4 Ų | 51.4 | 50% | 0.5 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 113.2 | 177.5 | -53 | -168.6 | 29 | 0 | 0 | 112.6 | Y51 A52 V53 L76 V100 | Y51-Q78 PolarHBondContact O-N 3.04Å; A52-Q78 VanDerWaalsContact CA-O 3.29Å; A52-Q78 WeakPolarHBondContact CA-O 3.44Å; A52-Q78 HydrophobicContact CB-CB 4.15Å; V53-Q78 PolarHBondContact N-O 3.38Å; L76-Q78 WeakPolarHBondContact CD1-O 3.16Å; Q78-V100 WeakPolarHBondContact CA-O 3.36Å; Q78-V100 HydrophobicContact CB-CB 4.3Å; Q78-V100 HydrophobicContact CG-CB 4.07Å; Q78-V100 HydrophobicContact CG-CG2 4.16Å |
| 79 | L | 87.9 | Confident | 81 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117.4 | 177 | 176.6 | 59.2 | 0 | 0 | 0 | 110 | V53 L70 L76 L81 L92 L95 L98 V100 L101 N102 | V53-L79 HydrophobicContact CB-CD1 4.01Å; V53-L79 HydrophobicContact CG1-CD1 3.99Å; L70-L79 HydrophobicContact CD1-CD1 3.71Å; L70-L79 HydrophobicContact CD1-CD2 3.44Å; L70-L79 VanDerWaalsContact CD1-CD2 3.44Å; L70-L79 HydrophobicContact CD1-CG 4.24Å; L76-L79 HydrophobicContact CD2-CB 4.1Å; L76-L79 HydrophobicContact CD2-CD1 4.03Å; L76-L79 HydrophobicContact CD2-CG 4.44Å; L76-L79 HydrophobicContact CG-CB 4.32Å; L79-L81 HydrophobicContact CD1-CD1 3.88Å; L79-L81 HydrophobicContact CD1-CD2 4.11Å; L79-L81 HydrophobicContact CD1-CG 3.64Å; L79-L81 HydrophobicContact CD2-CD1 3.7Å; L79-L81 HydrophobicContact CD2-CG 4.32Å; L79-L81 HydrophobicContact CG-CD1 3.83Å; L79-L81 HydrophobicContact CG-CG 3.89Å; L79-L92 HydrophobicContact CD2-CD1 4.43Å; L79-L92 HydrophobicContact CD2-CD2 3.36Å; L79-L95 HydrophobicContact CD2-CD1 4Å; L79-L98 HydrophobicContact CB-CD1 3.64Å; L79-L98 HydrophobicContact CB-CD2 4.16Å; L79-L98 HydrophobicContact CD2-CD2 4.34Å; L79-V100 PolarHBondContact N-O 2.7Å; L79-L101 HydrophobicContact CB-CD1 4.33Å; L79-L101 HydrophobicContact CD2-CD1 3.99Å; L79-L101 HydrophobicContact CG-CD1 4.27Å; L79-N102 PolarHBondContact O-N 3.31Å |
| 80 | N | 86.1 | Confident | 81.1 | Confident | 37 Ų | 37 | 49.8 Ų | 49.8 | 20% | 0.198 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 102.7 | 174.9 | -176.2 | 14.8 | 0 | 0 | 0 | 110.7 | V53 N54 L55 S56 S82 N102 | V53-N80 PolarHBondContact O-N 2.72Å; N54-N80 HydrophobicContact CB-CB 4.5Å; N54-N80 PolarHBondContact OD1-ND2 3.39Å; L55-N80 CarbonylContact C-O 3.48Å; L55-N80 PolarHBondContact N-O 2.87Å; S56-N80 PolarHBondContact N-O 2.94Å; S56-N80 PolarHBondContact OG-ND2 2.71Å; N80-S82 WeakPolarHBondContact OD1-CB 3.1Å; N80-S82 PolarHBondContact OD1-N 3.23Å; N80-S82 PolarHBondContact OD1-OG 2.9Å; N80-N102 HydrophobicContact CB-CB 4.41Å; N80-N102 PolarHBondContact OD1-ND2 2.92Å |
| 81 | L | 85.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -111.8 | 22 | 176 | -67 | 167.9 | 0 | 0 | 0 | 111.5 | M34 L55 I67 L70 L79 N84 I86 N102 I103 N106 | M34-L81 HydrophobicContact CE-CD2 4.45Å; M34-L81 HydrophobicContact SD-CD2 3.65Å; L55-L81 HydrophobicContact CB-CD2 4.09Å; I67-L81 HydrophobicContact CD1-CD1 3.64Å; I67-L81 HydrophobicContact CG1-CD1 3.86Å; I67-L81 HydrophobicContact CG2-CD1 4.28Å; L70-L81 HydrophobicContact CD1-CD1 4.49Å; L79-L81 HydrophobicContact CD1-CD1 3.88Å; L79-L81 HydrophobicContact CD1-CD2 4.11Å; L79-L81 HydrophobicContact CD1-CG 3.64Å; L79-L81 HydrophobicContact CD2-CD1 3.7Å; L79-L81 HydrophobicContact CD2-CG 4.32Å; L79-L81 HydrophobicContact CG-CD1 3.83Å; L79-L81 HydrophobicContact CG-CG 3.89Å; L81-N84 VanDerWaalsContact C-ND2 3.32Å; L81-N84 WeakPolarHBondContact O-CB 3.29Å; L81-N84 PolarHBondContact O-ND2 2.95Å; L81-I86 HydrophobicContact CB-CD1 3.76Å; L81-I86 HydrophobicContact CD1-CD1 3.96Å; L81-I86 HydrophobicContact CD2-CD1 4.49Å; L81-I86 HydrophobicContact CG-CD1 4.29Å; L81-N102 PolarHBondContact N-O 2.94Å; L81-I103 HydrophobicContact CB-CG2 4.02Å; L81-I103 HydrophobicContact CD1-CG2 4.21Å; L81-N106 PolarHBondContact O-ND2 3.13Å | ||
| 82 | S | 84.2 | Confident | 81.3 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.028 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 152.8 | -176.5 | 56.1 | 0 | 0 | 0 | 0 | 113.9 | S56 N57 N80 N84 N102 S104 | S56-S82 CarbonylContact C-O 3.36Å; S56-S82 WeakPolarHBondContact CA-O 3.11Å; S56-S82 WeakPolarHBondContact CB-O 3.12Å; S56-S82 WeakPolarHBondContact CB-OG 3.37Å; N57-S82 PolarHBondContact N-O 2.95Å; N80-S82 WeakPolarHBondContact OD1-CB 3.1Å; N80-S82 PolarHBondContact OD1-N 3.23Å; N80-S82 PolarHBondContact OD1-OG 2.9Å; S82-N84 VanDerWaalsContact C-N 3.27Å; S82-N84 PolarHBondContact O-N 2.8Å; S82-N102 PolarHBondContact N-O 3.45Å; S82-N102 PolarHBondContact OG-ND2 2.84Å; S82-S104 CarbonylContact C-O 3.56Å; S82-S104 WeakPolarHBondContact CA-O 3.3Å; S82-S104 WeakPolarHBondContact CB-O 3.33Å; S82-S104 WeakPolarHBondContact CB-OG 3.49Å |
| 83 | Y | 83.7 | Confident | 81.4 | Confident | 85 Ų | 85 | 44.5 Ų | 44.5 | 33% | 0.333 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 13.4 | -178.5 | -57.5 | -97.2 | 0 | 0 | 0 | 115.6 | N57 K58 S104 H105 | N57-Y83 WeakPolarHBondContact CB-O 3.31Å; N57-Y83 PolarHBondContact ND2-O 3Å; N57-Y83 VanDerWaalsContact ND2-O 3.1Å; K58-Y83 HydrophobicContact CB-CD2 3.89Å; K58-Y83 HydrophobicContact CB-CE2 4.23Å; K58-Y83 HydrophobicContact CB-CG 4.15Å; K58-Y83 HydrophobicContact CD-CD2 4.5Å; K58-Y83 HydrophobicContact CD-CE2 3.98Å; K58-Y83 HydrophobicContact CG-CD2 4.44Å; K58-Y83 HydrophobicContact CG-CE2 4.36Å; Y83-S104 PolarHBondContact N-O 3.35Å; Y83-H105 CarbonylContact C-O 3.57Å; Y83-H105 WeakPolarHBondContact CA-O 3.17Å; Y83-H105 HydrophobicContact CD1-CB 3.83Å; Y83-H105 AromaticContact CD1-CG 3.9Å; Y83-H105 HydrophobicContact CD2-CB 4.36Å; Y83-H105 HydrophobicContact CE1-CB 4.14Å; Y83-H105 AromaticContact CE1-CD2 3.83Å; Y83-H105 AromaticContact CE1-CE1 3.93Å; Y83-H105 AromaticContact CE1-CG 3.66Å; Y83-H105 AromaticContact CE1-ND1 3.74Å; Y83-H105 AromaticContact CE2-CD2 3.77Å; Y83-H105 HydrophobicContact CG-CB 3.96Å; Y83-H105 AromaticContact CZ-CD2 3.49Å; Y83-H105 VanDerWaalsContact CZ-CD2 3.49Å; Y83-H105 AromaticContact CZ-CE1 3.99Å; Y83-H105 AromaticContact CZ-CG 3.83Å; Y83-H105 AromaticContact CZ-NE2 3.63Å; Y83-H105 PolarHBondContact N-O 3.36Å; Y83-H105 PolarHBondContact OH-NE2 2.94Å |
| 84 | N | 82.8 | Confident | 81.3 | Confident | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.043 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -88.6 | -167.4 | 175.7 | -75.8 | -61.7 | 0 | 0 | 0 | 111.3 | L55 I64 L81 S82 I86 H105 N106 | L55-N84 PolarHBondContact O-ND2 3.07Å; I64-N84 HydrophobicContact CB-CB 4.22Å; I64-N84 WeakPolarHBondContact CB-OD1 3.19Å; I64-N84 PolarHBondContact N-OD1 3.34Å; I64-N84 WeakPolarHBondContact O-CB 3.37Å; L81-N84 VanDerWaalsContact C-ND2 3.32Å; L81-N84 WeakPolarHBondContact O-CB 3.29Å; L81-N84 PolarHBondContact O-ND2 2.95Å; S82-N84 VanDerWaalsContact C-N 3.27Å; S82-N84 PolarHBondContact O-N 2.8Å; N84-I86 HydrophobicContact CB-CD1 4.13Å; N84-I86 HydrophobicContact CB-CG1 4.23Å; N84-H105 PolarHBondContact N-O 2.77Å; N84-N106 WeakPolarHBondContact CA-OD1 3.48Å; N84-N106 VanDerWaalsContact CB-OD1 3.26Å; N84-N106 WeakPolarHBondContact CB-OD1 3.33Å; N84-N106 PolarHBondContact O-OD1 3.38Å |
| 85 | R | 82.4 | Confident | 81.6 | Confident | 129 Ų | 129 | 44 Ų | 44 | 49% | 0.487 | 22% | 0.219 | S | C | . | . | trans | -114.8 | 29 | -177.2 | -71.3 | -179.8 | 162.2 | -160 | -6.7 | 112.5 | I64 E65 C87 N106 | I64-R85 CarbonylContact O-C 3.4Å; I64-R85 WeakPolarHBondContact O-CA 3.39Å; I64-R85 PolarHBondContact O-N 2.81Å; E65-R85 HydrophobicContact CB-CB 4.49Å; E65-R85 HydrophobicContact CG-CB 3.57Å; E65-R85 HydrophobicContact CG-CG 4.42Å; E65-R85 WeakPolarHBondContact OE1-CD 3.43Å; E65-R85 IonicContact OE1-NH1 3.49Å; E65-R85 PolarHBondContact OE1-NH1 2.6Å; R85-C87 PolarHBondContact O-N 3.03Å; R85-N106 PolarHBondContact N-OD1 2.61Å | ||
| 86 | I | 82.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -72.9 | 116.1 | -172.2 | -61.7 | 160.1 | 0 | 0 | 0 | 109.7 | I67 L81 N84 K88 N106 C107 I108 | I67-I86 HydrophobicContact CD1-CD1 4.14Å; I67-I86 HydrophobicContact CD1-CG2 4.05Å; I67-I86 HydrophobicContact CG1-CD1 3.78Å; I67-I86 HydrophobicContact CG1-CG1 4.18Å; I67-I86 HydrophobicContact CG1-CG2 3.92Å; L81-I86 HydrophobicContact CB-CD1 3.76Å; L81-I86 HydrophobicContact CD1-CD1 3.96Å; L81-I86 HydrophobicContact CD2-CD1 4.49Å; L81-I86 HydrophobicContact CG-CD1 4.29Å; N84-I86 HydrophobicContact CB-CD1 4.13Å; N84-I86 HydrophobicContact CB-CG1 4.23Å; I86-K88 WeakPolarHBondContact CG2-O 3.43Å; I86-N106 HydrophobicContact CB-CB 4.28Å; I86-N106 VanDerWaalsContact CB-OD1 3.31Å; I86-N106 WeakPolarHBondContact CB-OD1 3.44Å; I86-N106 WeakPolarHBondContact CG1-OD1 3.27Å; I86-N106 PolarHBondContact N-OD1 2.56Å; I86-C107 CarbonylContact O-C 3.15Å; I86-C107 WeakPolarHBondContact O-CA 3.47Å; I86-C107 PolarHBondContact O-N 2.95Å; I86-I108 HydrophobicContact CG2-CD1 4.37Å; I86-I108 HydrophobicContact CG2-CG1 4.34Å; I86-I108 WeakPolarHBondContact O-CG1 3.3Å; I86-I108 PolarHBondContact O-N 3.27Å | ||
| 87 | C | 79.6 | Confident | 81.4 | Confident | 77 Ų | 77 | 47.8 Ų | 47.8 | 52% | 0.52 | 24% | 0.242 | S | C | . | . | trans | -88.3 | -22.9 | 176.1 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | R85 C107 | R85-C87 PolarHBondContact O-N 3.03Å; C87-C107 WeakPolarHBondContact CA-O 3.29Å; C87-C107 HydrophobicContact CB-CB 4.43Å | ||
| 88 | K | 78 | Confident | 81.5 | Confident | 131 Ų | 131 | 42.4 Ų | 42.4 | 57% | 0.57 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -140.5 | 137 | -174.7 | -178.7 | 175.4 | 179.7 | 177 | 0 | 110.1 | I86 S90 | I86-K88 WeakPolarHBondContact CG2-O 3.43Å; K88-S90 PolarHBondContact O-N 2.86Å |
| 89 | I | 81.2 | Confident | 81.6 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | trans | -81.1 | 115 | 172.5 | -48.9 | 170.3 | 0 | 0 | 0 | 107.7 | I67 L92 I103 I108 N112 G113 I114 | I67-I89 HydrophobicContact CD1-CG2 4.36Å; I89-L92 HydrophobicContact CG2-CB 4.43Å; I89-L92 HydrophobicContact CG2-CD1 3.35Å; I89-L92 HydrophobicContact CG2-CG 3.71Å; I89-I103 HydrophobicContact CD1-CD1 3.41Å; I89-I103 VanDerWaalsContact CD1-CD1 3.41Å; I89-I103 HydrophobicContact CG1-CD1 3.91Å; I89-I108 HydrophobicContact CD1-CD1 4.32Å; I89-I108 HydrophobicContact CD1-CG2 4.08Å; I89-I108 HydrophobicContact CG1-CD1 3.85Å; I89-I108 HydrophobicContact CG1-CG1 4.47Å; I89-I108 HydrophobicContact CG1-CG2 3.97Å; I89-N112 WeakPolarHBondContact CB-O 3.3Å; I89-G113 WeakPolarHBondContact O-CA 3.49Å; I89-I114 HydrophobicContact CD1-CG2 3.71Å; I89-I114 HydrophobicContact CG2-CG2 4Å | ||
| 90 | S | 77 | Confident | 81.6 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 24% | 0.238 | 22% | 0.219 | C | C | . | . | trans | -135.8 | 169.3 | 176.7 | 56.1 | 0 | 0 | 0 | 0 | 109.3 | I67 K88 L92 | I67-S90 VanDerWaalsContact CB-O 3.24Å; I67-S90 WeakPolarHBondContact CB-O 3.46Å; I67-S90 WeakPolarHBondContact CG2-O 3.12Å; I67-S90 PolarHBondContact O-OG 3.33Å; K88-S90 PolarHBondContact O-N 2.86Å; S90-L92 PolarHBondContact O-N 3.27Å | ||
| 91 | G | 74.3 | Confident | 81.8 | Confident | 11 Ų | 11 | 39 Ų | 39 | 11% | 0.113 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 62.9 | 3.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 92 | L | 81.2 | Confident | 81.9 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | trans | -91.3 | -2.4 | 174.9 | -52.4 | -164.8 | 0 | 0 | 0 | 112.8 | I67 L70 L79 I89 S90 T94 L95 L101 L117 | I67-L92 HydrophobicContact CD1-CD2 4.11Å; I67-L92 HydrophobicContact CD1-CG 4.3Å; I67-L92 HydrophobicContact CG2-CD2 3.71Å; L70-L92 HydrophobicContact CD1-CD2 3.94Å; L79-L92 HydrophobicContact CD2-CD1 4.43Å; L79-L92 HydrophobicContact CD2-CD2 3.36Å; I89-L92 HydrophobicContact CG2-CB 4.43Å; I89-L92 HydrophobicContact CG2-CD1 3.35Å; I89-L92 HydrophobicContact CG2-CG 3.71Å; S90-L92 PolarHBondContact O-N 3.27Å; L92-T94 VanDerWaalsContact C-N 3.3Å; L92-T94 PolarHBondContact O-N 2.78Å; L92-L95 HydrophobicContact CB-CD1 4.22Å; L92-L95 HydrophobicContact CD2-CD1 3.59Å; L92-L95 HydrophobicContact CG-CD1 4.46Å; L92-L95 PolarHBondContact O-N 2.6Å; L92-L95 VanDerWaalsContact O-N 3.15Å; L92-L101 HydrophobicContact CD1-CD1 3.73Å; L92-L101 HydrophobicContact CD1-CD2 3.61Å; L92-L101 HydrophobicContact CD1-CG 4.35Å; L92-L117 HydrophobicContact CB-CD2 4.49Å; L92-L117 HydrophobicContact CD1-CD1 4.4Å; L92-L117 WeakPolarHBondContact O-CD2 3.48Å | ||
| 93 | S | 75 | Confident | 82.1 | Confident | 82 Ų | 82 | 40 Ų | 40 | 57% | 0.573 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -35.7 | -174.9 | 34.8 | 0 | 0 | 0 | 0 | 113.4 | L95 | S93-L95 VanDerWaalsContact C-N 3.34Š|
| 94 | T | 75.3 | Confident | 82.2 | Confident | 52 Ų | 52 | 36.2 Ų | 36.2 | 32% | 0.319 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -16.1 | 178.1 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | E71 L92 C96 | E71-T94 HydrophobicContact CB-CG2 4.38Å; E71-T94 HydrophobicContact CG-CG2 4.35Å; L92-T94 VanDerWaalsContact C-N 3.3Å; L92-T94 PolarHBondContact O-N 2.78Å; T94-C96 PolarHBondContact O-N 3.41Å |
| 95 | L | 82.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -83.2 | 54.4 | -170.8 | -48.4 | -177.8 | 0 | 0 | 0 | 111.6 | L70 F73 L76 L79 L92 S93 H97 L98 L117 | L70-L95 HydrophobicContact CB-CD1 4.44Å; L70-L95 HydrophobicContact CB-CD2 4.48Å; L70-L95 HydrophobicContact CD1-CD1 4.22Å; L70-L95 WeakPolarHBondContact O-CD2 3.2Å; F73-L95 VanDerWaalsContact O-CD2 3.24Å; F73-L95 WeakPolarHBondContact O-CD2 3.36Å; L76-L95 HydrophobicContact CB-CD2 4.24Å; L76-L95 HydrophobicContact CD2-CD1 4.16Å; L76-L95 HydrophobicContact CD2-CD2 4.46Å; L79-L95 HydrophobicContact CD2-CD1 4Å; L92-L95 HydrophobicContact CB-CD1 4.22Å; L92-L95 HydrophobicContact CD2-CD1 3.59Å; L92-L95 HydrophobicContact CG-CD1 4.46Å; L92-L95 PolarHBondContact O-N 2.6Å; L92-L95 VanDerWaalsContact O-N 3.15Å; S93-L95 VanDerWaalsContact C-N 3.34Å; L95-H97 PolarHBondContact O-N 3.46Å; L95-H97 VanDerWaalsContact O-N 3.13Å; L95-L98 HydrophobicContact CB-CB 4.02Å; L95-L98 HydrophobicContact CB-CD2 4.3Å; L95-L98 HydrophobicContact CD1-CD2 4.1Å; L95-L98 WeakPolarHBondContact O-CB 3.45Å; L95-L98 PolarHBondContact O-N 2.69Å; L95-L117 HydrophobicContact CB-CD2 4.34Å; L95-L117 WeakPolarHBondContact O-CD2 2.9Å | ||
| 96 | C | 77.8 | Confident | 82.5 | Confident | 56 Ų | 56 | 33.1 Ų | 33.1 | 38% | 0.378 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -20.8 | -176 | 50.1 | 0 | 0 | 0 | 0 | 113.7 | T94 N119 | T94-C96 PolarHBondContact O-N 3.41Å; C96-N119 WeakPolarHBondContact O-CB 3.12Å; C96-N119 PolarHBondContact O-ND2 2.93Å |
| 97 | H | 81.8 | Confident | 82.5 | Confident | 72 Ų | 72 | 35.3 Ų | 35.3 | 33% | 0.333 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -0 | 175.8 | -62.1 | -85.2 | 0 | 0 | 0 | 113.8 | E75 R77 L95 T99 | E75-H97 IonicContact OE1-CD2 2.62Å; E75-H97 IonicContact OE1-CE1 3.29Å; E75-H97 IonicContact OE1-CG 3.02Å; E75-H97 IonicContact OE1-NE2 2.62Å; R77-H97 WeakPolarHBondContact CA-O 3.3Å; R77-H97 HydrophobicContact CG-CB 4.25Å; L95-H97 PolarHBondContact O-N 3.46Å; L95-H97 VanDerWaalsContact O-N 3.13Å; H97-T99 PolarHBondContact O-N 2.99Å |
| 98 | L | 86.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -68.7 | 105.2 | -175.2 | -167.5 | 61.9 | 0 | 0 | 0 | 112.2 | L76 L79 L95 V100 L101 L117 L120 | L76-L98 HydrophobicContact CG-CD1 4.32Å; L76-L98 VanDerWaalsContact O-CA 3.24Å; L76-L98 WeakPolarHBondContact O-CA 2.73Å; L76-L98 WeakPolarHBondContact O-CD1 3.1Å; L76-L98 PolarHBondContact O-N 2.95Å; L79-L98 HydrophobicContact CB-CD1 3.64Å; L79-L98 HydrophobicContact CB-CD2 4.16Å; L79-L98 HydrophobicContact CD2-CD2 4.34Å; L95-L98 HydrophobicContact CB-CB 4.02Å; L95-L98 HydrophobicContact CB-CD2 4.3Å; L95-L98 HydrophobicContact CD1-CD2 4.1Å; L95-L98 WeakPolarHBondContact O-CB 3.45Å; L95-L98 PolarHBondContact O-N 2.69Å; L98-V100 WeakPolarHBondContact CD1-O 3.34Å; L98-L101 HydrophobicContact CD2-CB 4Å; L98-L101 HydrophobicContact CD2-CD1 4.08Å; L98-L101 HydrophobicContact CD2-CG 4.41Å; L98-L101 HydrophobicContact CG-CB 4.4Å; L98-L117 HydrophobicContact CB-CD2 4.19Å; L98-L117 HydrophobicContact CD2-CD1 3.95Å; L98-L117 HydrophobicContact CD2-CD2 4.3Å; L98-L120 HydrophobicContact CG-CD1 4.43Å; L98-L120 WeakPolarHBondContact O-CA 3.43Å; L98-L120 WeakPolarHBondContact O-CD1 2.98Å; L98-L120 PolarHBondContact O-N 2.68Å | ||
| 99 | T | 86.9 | Confident | 83.1 | Confident | 39 Ų | 39 | 28.6 Ų | 28.6 | 24% | 0.239 | 17% | 0.174 | C | C | . | . | trans | -92.3 | -28.5 | 179 | 63.7 | 0 | 0 | 0 | 0 | 112.9 | R77 H97 L121 V122 | R77-T99 PolarHBondContact O-N 2.77Å; R77-T99 PolarHBondContact O-OG1 3.05Å; H97-T99 PolarHBondContact O-N 2.99Å; T99-L121 PolarHBondContact O-N 3.37Å; T99-V122 PolarHBondContact O-N 3.28Å | ||
| 100 | V | 88 | Confident | 83.1 | Confident | 34 Ų | 34 | 30.1 Ų | 30.1 | 21% | 0.206 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 112.4 | 178.7 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | R77 Q78 L79 L98 V122 | R77-V100 PolarHBondContact O-N 2.69Å; Q78-V100 WeakPolarHBondContact CA-O 3.36Å; Q78-V100 HydrophobicContact CB-CB 4.3Å; Q78-V100 HydrophobicContact CG-CB 4.07Å; Q78-V100 HydrophobicContact CG-CG2 4.16Å; L79-V100 PolarHBondContact N-O 2.7Å; L98-V100 WeakPolarHBondContact CD1-O 3.34Å; V100-V122 WeakPolarHBondContact CA-O 3Å; V100-V122 HydrophobicContact CB-CB 4.41Å; V100-V122 HydrophobicContact CG1-CB 4.15Å; V100-V122 HydrophobicContact CG1-CG1 4.2Å; V100-V122 HydrophobicContact CG2-CB 4.13Å; V100-V122 HydrophobicContact CG2-CG2 4.25Å |
| 101 | L | 90.5 | Very high | 83.4 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 115.8 | 172.6 | 174.6 | 57.1 | 0 | 0 | 0 | 109.1 | L79 L92 L98 I103 I114 L117 L120 V122 L123 K124 | L79-L101 HydrophobicContact CB-CD1 4.33Å; L79-L101 HydrophobicContact CD2-CD1 3.99Å; L79-L101 HydrophobicContact CG-CD1 4.27Å; L92-L101 HydrophobicContact CD1-CD1 3.73Å; L92-L101 HydrophobicContact CD1-CD2 3.61Å; L92-L101 HydrophobicContact CD1-CG 4.35Å; L98-L101 HydrophobicContact CD2-CB 4Å; L98-L101 HydrophobicContact CD2-CD1 4.08Å; L98-L101 HydrophobicContact CD2-CG 4.41Å; L98-L101 HydrophobicContact CG-CB 4.4Å; L101-I103 HydrophobicContact CD1-CD1 4.4Å; L101-I103 HydrophobicContact CD1-CG1 4.29Å; L101-I103 HydrophobicContact CD1-CG2 3.74Å; L101-I103 HydrophobicContact CD2-CD1 3.85Å; L101-I103 HydrophobicContact CD2-CG1 4.39Å; L101-I103 HydrophobicContact CG-CD1 4.04Å; L101-I103 HydrophobicContact CG-CG1 4.03Å; L101-I103 HydrophobicContact CG-CG2 4.43Å; L101-I114 HydrophobicContact CD2-CG2 3.52Å; L101-L117 HydrophobicContact CD2-CD1 3.71Å; L101-L120 HydrophobicContact CB-CD1 3.66Å; L101-L120 HydrophobicContact CB-CD2 4.41Å; L101-V122 PolarHBondContact N-O 3.23Å; L101-L123 HydrophobicContact CB-CD1 4.44Å; L101-L123 HydrophobicContact CD2-CD1 4Å; L101-L123 HydrophobicContact CG-CD1 4.33Å; L101-K124 PolarHBondContact O-N 3.49Å |
| 102 | N | 88.3 | Confident | 83.5 | Confident | 24 Ų | 24 | 32.3 Ų | 32.3 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 103.8 | 172.9 | -175.4 | 20.5 | 0 | 0 | 0 | 111.4 | L79 N80 L81 S82 S104 K124 | L79-N102 PolarHBondContact O-N 3.31Å; N80-N102 HydrophobicContact CB-CB 4.41Å; N80-N102 PolarHBondContact OD1-ND2 2.92Å; L81-N102 PolarHBondContact N-O 2.94Å; S82-N102 PolarHBondContact N-O 3.45Å; S82-N102 PolarHBondContact OG-ND2 2.84Å; N102-S104 WeakPolarHBondContact OD1-CB 3.47Å; N102-S104 PolarHBondContact OD1-N 3.41Å; N102-S104 PolarHBondContact OD1-OG 2.7Å; N102-K124 HydrophobicContact CB-CB 4.12Å; N102-K124 HydrophobicContact CB-CD 4.46Å; N102-K124 VanDerWaalsContact OD1-CB 3.31Å; N102-K124 WeakPolarHBondContact OD1-CB 3.35Å |
| 103 | I | 88.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -122.6 | 24.5 | 177.9 | 43.4 | 176.4 | 0 | 0 | 0 | 109.9 | L81 I89 L101 N106 I108 K124 V125 N128 | L81-I103 HydrophobicContact CB-CG2 4.02Å; L81-I103 HydrophobicContact CD1-CG2 4.21Å; I89-I103 HydrophobicContact CD1-CD1 3.41Å; I89-I103 VanDerWaalsContact CD1-CD1 3.41Å; I89-I103 HydrophobicContact CG1-CD1 3.91Å; L101-I103 HydrophobicContact CD1-CD1 4.4Å; L101-I103 HydrophobicContact CD1-CG1 4.29Å; L101-I103 HydrophobicContact CD1-CG2 3.74Å; L101-I103 HydrophobicContact CD2-CD1 3.85Å; L101-I103 HydrophobicContact CD2-CG1 4.39Å; L101-I103 HydrophobicContact CG-CD1 4.04Å; L101-I103 HydrophobicContact CG-CG1 4.03Å; L101-I103 HydrophobicContact CG-CG2 4.43Å; I103-N106 PolarHBondContact O-ND2 2.79Å; I103-I108 HydrophobicContact CB-CD1 3.82Å; I103-I108 HydrophobicContact CD1-CD1 3.76Å; I103-I108 HydrophobicContact CG1-CD1 4.12Å; I103-I108 HydrophobicContact CG2-CD1 4.49Å; I103-K124 CarbonylContact C-O 3.6Å; I103-K124 WeakPolarHBondContact CG1-O 3.33Å; I103-K124 PolarHBondContact N-O 3.36Å; I103-V125 HydrophobicContact CD1-CG1 3.64Å; I103-V125 HydrophobicContact CG1-CG1 3.79Å; I103-N128 PolarHBondContact O-ND2 2.8Å | ||
| 104 | S | 86 | Confident | 83.6 | Confident | 7 Ų | 7 | 29.4 Ų | 29.4 | 5% | 0.049 | 18% | 0.175 | C | C | . | . | trans | -65.6 | 153.4 | 175.1 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | S82 Y83 N102 N106 K124 N126 | S82-S104 CarbonylContact C-O 3.56Å; S82-S104 WeakPolarHBondContact CA-O 3.3Å; S82-S104 WeakPolarHBondContact CB-O 3.33Å; S82-S104 WeakPolarHBondContact CB-OG 3.49Å; Y83-S104 PolarHBondContact N-O 3.35Å; N102-S104 WeakPolarHBondContact OD1-CB 3.47Å; N102-S104 PolarHBondContact OD1-N 3.41Å; N102-S104 PolarHBondContact OD1-OG 2.7Å; S104-N106 PolarHBondContact O-ND2 3.13Å; S104-K124 PolarHBondContact N-O 2.71Å; S104-K124 VanDerWaalsContact N-O 3.15Å; S104-N126 CarbonylContact C-O 3.57Å; S104-N126 WeakPolarHBondContact CA-O 3.31Å; S104-N126 WeakPolarHBondContact CB-ND2 3Å; S104-N126 WeakPolarHBondContact CB-O 3.26Å; S104-N126 VanDerWaalsContact CB-OD1 3.27Å; S104-N126 WeakPolarHBondContact CB-OD1 3.19Å | ||
| 105 | H | 86.4 | Confident | 83.8 | Confident | 58 Ų | 58 | 29.9 Ų | 29.9 | 27% | 0.269 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 55.5 | 63.5 | -174.5 | -54 | -97.9 | 0 | 0 | 0 | 111.4 | Y83 N84 N126 N127 | Y83-H105 CarbonylContact C-O 3.57Å; Y83-H105 WeakPolarHBondContact CA-O 3.17Å; Y83-H105 HydrophobicContact CD1-CB 3.83Å; Y83-H105 AromaticContact CD1-CG 3.9Å; Y83-H105 HydrophobicContact CD2-CB 4.36Å; Y83-H105 HydrophobicContact CE1-CB 4.14Å; Y83-H105 AromaticContact CE1-CD2 3.83Å; Y83-H105 AromaticContact CE1-CE1 3.93Å; Y83-H105 AromaticContact CE1-CG 3.66Å; Y83-H105 AromaticContact CE1-ND1 3.74Å; Y83-H105 AromaticContact CE2-CD2 3.77Å; Y83-H105 HydrophobicContact CG-CB 3.96Å; Y83-H105 AromaticContact CZ-CD2 3.49Å; Y83-H105 VanDerWaalsContact CZ-CD2 3.49Å; Y83-H105 AromaticContact CZ-CE1 3.99Å; Y83-H105 AromaticContact CZ-CG 3.83Å; Y83-H105 AromaticContact CZ-NE2 3.63Å; Y83-H105 PolarHBondContact N-O 3.36Å; Y83-H105 PolarHBondContact OH-NE2 2.94Å; N84-H105 PolarHBondContact N-O 2.77Å; H105-N126 PolarHBondContact N-O 2.76Å; H105-N127 WeakPolarHBondContact CA-O 3.49Å; H105-N127 HydrophobicContact CB-CB 4.4Å; H105-N127 VanDerWaalsContact CE1-CG 3.46Å; H105-N127 PolarHBondContact CE1-ND2 2.88Å; H105-N127 PolarHBondContact N-O 2.6Å; H105-N127 PolarHBondContact NE2-ND2 3.31Å |
| 106 | N | 85.2 | Confident | 83.6 | Confident | 13 Ų | 13 | 32 Ų | 32 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -140.2 | -166.9 | 174.5 | -82.1 | -81 | 0 | 0 | 0 | 108.4 | L81 N84 R85 I86 I103 S104 I108 N127 N128 | L81-N106 PolarHBondContact O-ND2 3.13Å; N84-N106 WeakPolarHBondContact CA-OD1 3.48Å; N84-N106 VanDerWaalsContact CB-OD1 3.26Å; N84-N106 WeakPolarHBondContact CB-OD1 3.33Å; N84-N106 PolarHBondContact O-OD1 3.38Å; R85-N106 PolarHBondContact N-OD1 2.61Å; I86-N106 HydrophobicContact CB-CB 4.28Å; I86-N106 VanDerWaalsContact CB-OD1 3.31Å; I86-N106 WeakPolarHBondContact CB-OD1 3.44Å; I86-N106 WeakPolarHBondContact CG1-OD1 3.27Å; I86-N106 PolarHBondContact N-OD1 2.56Å; I103-N106 PolarHBondContact O-ND2 2.79Å; S104-N106 PolarHBondContact O-ND2 3.13Å; N106-I108 HydrophobicContact CB-CD1 4.14Å; N106-I108 HydrophobicContact CB-CG1 4.07Å; N106-N127 PolarHBondContact N-O 3.24Å; N106-N127 VanDerWaalsContact N-O 3.15Å; N106-N128 WeakPolarHBondContact CA-OD1 3.22Å; N106-N128 WeakPolarHBondContact CB-OD1 3.41Å; N106-N128 PolarHBondContact N-OD1 3.08Å; N106-N128 PolarHBondContact O-OD1 2.74Å |
| 107 | C | 83.5 | Confident | 83.9 | Confident | 46 Ų | 46 | 29.4 Ų | 29.4 | 31% | 0.311 | 17% | 0.171 | S | C | . | . | trans | -113.6 | 29.7 | -176.4 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | I86 C87 T109 N128 | I86-C107 CarbonylContact O-C 3.15Å; I86-C107 WeakPolarHBondContact O-CA 3.47Å; I86-C107 PolarHBondContact O-N 2.95Å; C87-C107 WeakPolarHBondContact CA-O 3.29Å; C87-C107 HydrophobicContact CB-CB 4.43Å; C107-T109 PolarHBondContact O-N 2.72Å; C107-N128 PolarHBondContact N-OD1 3.23Å | ||
| 108 | I | 86.2 | Confident | 83.9 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | trans | -78.3 | 123.1 | -167.7 | -57.9 | 171.6 | 0 | 0 | 0 | 111 | I86 I89 I103 N106 S110 N128 Q129 I130 | I86-I108 HydrophobicContact CG2-CD1 4.37Å; I86-I108 HydrophobicContact CG2-CG1 4.34Å; I86-I108 WeakPolarHBondContact O-CG1 3.3Å; I86-I108 PolarHBondContact O-N 3.27Å; I89-I108 HydrophobicContact CD1-CD1 4.32Å; I89-I108 HydrophobicContact CD1-CG2 4.08Å; I89-I108 HydrophobicContact CG1-CD1 3.85Å; I89-I108 HydrophobicContact CG1-CG1 4.47Å; I89-I108 HydrophobicContact CG1-CG2 3.97Å; I103-I108 HydrophobicContact CB-CD1 3.82Å; I103-I108 HydrophobicContact CD1-CD1 3.76Å; I103-I108 HydrophobicContact CG1-CD1 4.12Å; I103-I108 HydrophobicContact CG2-CD1 4.49Å; N106-I108 HydrophobicContact CB-CD1 4.14Å; N106-I108 HydrophobicContact CB-CG1 4.07Å; I108-S110 WeakPolarHBondContact CG2-O 3.42Å; I108-N128 HydrophobicContact CB-CB 4.26Å; I108-N128 VanDerWaalsContact CB-OD1 3.27Å; I108-N128 WeakPolarHBondContact CB-OD1 3.13Å; I108-N128 WeakPolarHBondContact CG1-OD1 3.46Å; I108-N128 PolarHBondContact N-OD1 2.75Å; I108-Q129 CarbonylContact O-C 3.57Å; I108-Q129 VanDerWaalsContact O-C 3.25Å; I108-Q129 WeakPolarHBondContact O-CA 3.47Å; I108-Q129 PolarHBondContact O-N 2.95Å; I108-I130 HydrophobicContact CG2-CG1 4.47Å; I108-I130 WeakPolarHBondContact O-CG1 3.03Å; I108-I130 PolarHBondContact O-N 2.89Å | ||
| 109 | T | 82.9 | Confident | 83.7 | Confident | 66 Ų | 66 | 30.9 Ų | 30.9 | 41% | 0.405 | 19% | 0.186 | S | C | . | . | trans | -92.9 | -13 | -179.2 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | C107 Q129 I130 T131 | C107-T109 PolarHBondContact O-N 2.72Å; T109-Q129 WeakPolarHBondContact CA-O 3.38Å; T109-Q129 HydrophobicContact CG2-CB 3.98Å; T109-I130 WeakPolarHBondContact O-CA 3.45Å; T109-T131 PolarHBondContact O-N 2.78Å | ||
| 110 | S | 81.3 | Confident | 83.8 | Confident | 37 Ų | 37 | 29 Ų | 29 | 26% | 0.259 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -155.7 | 158.5 | -178.4 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | I108 N112 | I108-S110 WeakPolarHBondContact CG2-O 3.42Å; S110-N112 PolarHBondContact O-N 3.4Å; S110-N112 VanDerWaalsContact O-N 3.1Å; S110-N112 PolarHBondContact OG-ND2 2.84Å |
| 111 | F | 82.6 | Confident | 83.7 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | trans | -73.8 | 16.2 | 172 | -69.6 | -78.8 | 0 | 0 | 0 | 114.2 | G113 I114 Q115 L123 V125 I130 P134 W136 L137 L149 | F111-G113 PolarHBondContact O-N 2.74Å; F111-I114 HydrophobicContact CB-CD1 4.38Å; F111-I114 HydrophobicContact CB-CG1 4.36Å; F111-I114 HydrophobicContact CD1-CD1 3.69Å; F111-I114 HydrophobicContact CE1-CD1 4.48Å; F111-I114 HydrophobicContact CG-CD1 4.5Å; F111-I114 WeakPolarHBondContact O-CG1 3.17Å; F111-Q115 PolarHBondContact O-OE1 3.06Å; F111-L123 HydrophobicContact CD1-CD2 4.13Å; F111-L123 HydrophobicContact CE1-CD2 3.72Å; F111-V125 HydrophobicContact CE1-CB 4.44Å; F111-V125 HydrophobicContact CE1-CG1 4.13Å; F111-V125 HydrophobicContact CE1-CG2 3.68Å; F111-V125 HydrophobicContact CZ-CG2 3.97Å; F111-I130 HydrophobicContact CD1-CD1 4.28Å; F111-I130 HydrophobicContact CD2-CD1 4.34Å; F111-I130 HydrophobicContact CD2-CG2 3.85Å; F111-I130 HydrophobicContact CE1-CD1 4.06Å; F111-I130 HydrophobicContact CE2-CD1 4.14Å; F111-I130 HydrophobicContact CE2-CG2 3.68Å; F111-I130 HydrophobicContact CG-CD1 4.45Å; F111-I130 HydrophobicContact CZ-CD1 4.01Å; F111-I130 HydrophobicContact CZ-CG2 4.48Å; F111-P134 HydrophobicContact CB-CG 4.12Å; F111-P134 VanDerWaalsContact CD2-CD 3.41Å; F111-P134 HydrophobicContact CD2-CG 4.09Å; F111-P134 HydrophobicContact CG-CG 4.44Å; F111-W136 HydrophobicContact CB-CH2 3.99Å; F111-W136 HydrophobicContact CB-CZ2 4.01Å; F111-L137 HydrophobicContact CD1-CD1 4.24Å; F111-L137 HydrophobicContact CD2-CD1 4.27Å; F111-L137 HydrophobicContact CE1-CD1 4.1Å; F111-L137 HydrophobicContact CE2-CD1 4.12Å; F111-L137 HydrophobicContact CG-CD1 4.29Å; F111-L137 HydrophobicContact CZ-CD1 4.02Å; F111-L149 HydrophobicContact CE2-CD1 4.32Å; F111-L149 HydrophobicContact CE2-CD2 4.16Å; F111-L149 HydrophobicContact CZ-CD1 3.88Å; F111-L149 HydrophobicContact CZ-CD2 3.69Å; F111-L149 HydrophobicContact CZ-CG 3.84Å | ||
| 112 | N | 77.7 | Confident | 83.6 | Confident | 86 Ų | 86 | 31.5 Ų | 31.5 | 46% | 0.46 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 119 | -179.5 | -70.8 | -37.6 | 0 | 0 | 0 | 110.5 | I89 S110 Q115 | I89-N112 WeakPolarHBondContact CB-O 3.3Å; S110-N112 PolarHBondContact O-N 3.4Å; S110-N112 VanDerWaalsContact O-N 3.1Å; S110-N112 PolarHBondContact OG-ND2 2.84Å; N112-Q115 PolarHBondContact OD1-NE2 3.12Å |
| 113 | G | 74.9 | Confident | 83.7 | Confident | 22 Ų | 22 | 30.4 Ų | 30.4 | 23% | 0.227 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 122.4 | -9.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I89 F111 | I89-G113 WeakPolarHBondContact O-CA 3.49Å; F111-G113 PolarHBondContact O-N 2.74Å |
| 114 | I | 83.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -106.4 | -0.3 | 176.7 | 68.6 | 164.6 | 0 | 0 | 0 | 114.5 | I89 L101 F111 S116 L117 L123 W136 L141 | I89-I114 HydrophobicContact CD1-CG2 3.71Å; I89-I114 HydrophobicContact CG2-CG2 4Å; L101-I114 HydrophobicContact CD2-CG2 3.52Å; F111-I114 HydrophobicContact CB-CD1 4.38Å; F111-I114 HydrophobicContact CB-CG1 4.36Å; F111-I114 HydrophobicContact CD1-CD1 3.69Å; F111-I114 HydrophobicContact CE1-CD1 4.48Å; F111-I114 HydrophobicContact CG-CD1 4.5Å; F111-I114 WeakPolarHBondContact O-CG1 3.17Å; I114-S116 PolarHBondContact O-N 3.09Å; I114-L117 HydrophobicContact CB-CD1 3.84Å; I114-L117 HydrophobicContact CB-CG 4.3Å; I114-L117 HydrophobicContact CG2-CD1 3.9Å; I114-L117 WeakPolarHBondContact O-CB 3.3Å; I114-L117 PolarHBondContact O-N 2.83Å; I114-L123 HydrophobicContact CD1-CD1 3.93Å; I114-L123 HydrophobicContact CD1-CD2 3.47Å; I114-L123 VanDerWaalsContact CD1-CD2 3.47Å; I114-L123 HydrophobicContact CD1-CG 4.38Å; I114-W136 HydrophobicContact CG1-CH2 4.04Å; I114-L141 HydrophobicContact CD1-CD1 3.64Å; I114-L141 HydrophobicContact CG1-CD1 4.18Å | ||
| 115 | Q | 78.9 | Confident | 83.7 | Confident | 62 Ų | 62 | 33.6 Ų | 33.6 | 29% | 0.29 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.5 | -176.6 | -72.9 | 85.7 | -16.7 | 0 | 0 | 114.5 | F111 N112 W136 | F111-Q115 PolarHBondContact O-OE1 3.06Å; N112-Q115 PolarHBondContact OD1-NE2 3.12Å; Q115-W136 VanDerWaalsContact CD-CZ2 3.49Å; Q115-W136 HydrophobicContact CG-CD2 4.16Å; Q115-W136 HydrophobicContact CG-CE3 4.05Å; Q115-W136 HydrophobicContact CG-CH2 3.67Å; Q115-W136 HydrophobicContact CG-CZ2 3.72Å; Q115-W136 HydrophobicContact CG-CZ3 3.82Å |
| 116 | S | 77.9 | Confident | 83.7 | Confident | 46 Ų | 46 | 31.4 Ų | 31.4 | 32% | 0.322 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -23.7 | 178.6 | 51.4 | 0 | 0 | 0 | 0 | 113.9 | I114 S118 | I114-S116 PolarHBondContact O-N 3.09Å; S116-S118 PolarHBondContact O-N 3.18Å |
| 117 | L | 85.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -79.3 | 52.6 | -164.4 | -53 | -176.7 | 0 | 0 | 0 | 112.6 | L92 L95 L98 L101 I114 N119 L120 L141 | L92-L117 HydrophobicContact CB-CD2 4.49Å; L92-L117 HydrophobicContact CD1-CD1 4.4Å; L92-L117 WeakPolarHBondContact O-CD2 3.48Å; L95-L117 HydrophobicContact CB-CD2 4.34Å; L95-L117 WeakPolarHBondContact O-CD2 2.9Å; L98-L117 HydrophobicContact CB-CD2 4.19Å; L98-L117 HydrophobicContact CD2-CD1 3.95Å; L98-L117 HydrophobicContact CD2-CD2 4.3Å; L101-L117 HydrophobicContact CD2-CD1 3.71Å; I114-L117 HydrophobicContact CB-CD1 3.84Å; I114-L117 HydrophobicContact CB-CG 4.3Å; I114-L117 HydrophobicContact CG2-CD1 3.9Å; I114-L117 WeakPolarHBondContact O-CB 3.3Å; I114-L117 PolarHBondContact O-N 2.83Å; L117-N119 PolarHBondContact O-N 2.99Å; L117-L120 HydrophobicContact CB-CB 4.01Å; L117-L120 HydrophobicContact CB-CD2 4.39Å; L117-L120 HydrophobicContact CD1-CD2 4.26Å; L117-L120 WeakPolarHBondContact O-CB 3.37Å; L117-L120 PolarHBondContact O-N 2.71Å; L117-L141 HydrophobicContact CB-CD2 4.17Å; L117-L141 WeakPolarHBondContact O-CD2 3.4Å | ||
| 118 | S | 81.2 | Confident | 83.9 | Confident | 58 Ų | 58 | 31.4 Ų | 31.4 | 41% | 0.406 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -15.1 | -172.9 | 65.8 | 0 | 0 | 0 | 0 | 115.1 | S116 | S116-S118 PolarHBondContact O-N 3.18Š|
| 119 | N | 83.5 | Confident | 83.8 | Confident | 45 Ų | 45 | 35.3 Ų | 35.3 | 24% | 0.241 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -0.8 | 173.2 | -69.9 | -46.2 | 0 | 0 | 0 | 114.7 | C96 L117 L121 K143 | C96-N119 WeakPolarHBondContact O-CB 3.12Å; C96-N119 PolarHBondContact O-ND2 2.93Å; L117-N119 PolarHBondContact O-N 2.99Å; N119-L121 PolarHBondContact O-N 2.93Å; N119-K143 PolarHBondContact OD1-NZ 2.7Å |
| 120 | L | 88 | Confident | 83.9 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -65.8 | 117.1 | -175.6 | -165.3 | 69.1 | 0 | 0 | 0 | 111.6 | L98 L101 L117 L123 K143 L144 | L98-L120 HydrophobicContact CG-CD1 4.43Å; L98-L120 WeakPolarHBondContact O-CA 3.43Å; L98-L120 WeakPolarHBondContact O-CD1 2.98Å; L98-L120 PolarHBondContact O-N 2.68Å; L101-L120 HydrophobicContact CB-CD1 3.66Å; L101-L120 HydrophobicContact CB-CD2 4.41Å; L117-L120 HydrophobicContact CB-CB 4.01Å; L117-L120 HydrophobicContact CB-CD2 4.39Å; L117-L120 HydrophobicContact CD1-CD2 4.26Å; L117-L120 WeakPolarHBondContact O-CB 3.37Å; L117-L120 PolarHBondContact O-N 2.71Å; L120-L123 HydrophobicContact CD2-CB 3.81Å; L120-L123 HydrophobicContact CD2-CD1 3.88Å; L120-L123 HydrophobicContact CD2-CD2 4.35Å; L120-L123 HydrophobicContact CD2-CG 4.23Å; L120-L123 HydrophobicContact CG-CB 4.49Å; L120-K143 CarbonylContact O-C 3.5Å; L120-L144 HydrophobicContact CB-CD2 4.45Å; L120-L144 HydrophobicContact CD2-CD2 4.24Å; L120-L144 HydrophobicContact CG-CD2 4.09Å; L120-L144 WeakPolarHBondContact O-CA 3.33Å; L120-L144 WeakPolarHBondContact O-CD2 3.13Å; L120-L144 WeakPolarHBondContact O-CG 3.1Å; L120-L144 PolarHBondContact O-N 2.65Å | ||
| 121 | L | 86.9 | Confident | 83.9 | Confident | 57 Ų | 57 | 33.3 Ų | 33.3 | 30% | 0.298 | 19% | 0.186 | S | C | . | . | trans | -95.5 | -35.9 | 177.2 | -55.6 | -177.4 | 0 | 0 | 0 | 111 | T99 N119 K143 K145 T146 | T99-L121 PolarHBondContact O-N 3.37Å; N119-L121 PolarHBondContact O-N 2.93Å; L121-K143 HydrophobicContact CD2-CB 3.92Å; L121-K143 WeakPolarHBondContact CD2-O 3.2Å; L121-K145 PolarHBondContact O-N 3.13Å; L121-T146 PolarHBondContact O-N 3.48Å | ||
| 122 | V | 87.1 | Confident | 83.7 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 114.9 | -173.8 | -176.5 | 0 | 0 | 0 | 0 | 110.3 | T99 V100 L101 K124 T146 | T99-V122 PolarHBondContact O-N 3.28Å; V100-V122 WeakPolarHBondContact CA-O 3Å; V100-V122 HydrophobicContact CB-CB 4.41Å; V100-V122 HydrophobicContact CG1-CB 4.15Å; V100-V122 HydrophobicContact CG1-CG1 4.2Å; V100-V122 HydrophobicContact CG2-CB 4.13Å; V100-V122 HydrophobicContact CG2-CG2 4.25Å; L101-V122 PolarHBondContact N-O 3.23Å; V122-K124 HydrophobicContact CG1-CD 4.5Å; V122-K124 HydrophobicContact CG1-CG 4.39Å; V122-T146 WeakPolarHBondContact CA-O 3.01Å; V122-T146 HydrophobicContact CG1-CG2 3.94Å |
| 123 | L | 90.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 114.6 | 176.3 | 177.8 | 59 | 0 | 0 | 0 | 109.7 | L101 F111 I114 L120 V125 L144 T146 I147 H148 | L101-L123 HydrophobicContact CB-CD1 4.44Å; L101-L123 HydrophobicContact CD2-CD1 4Å; L101-L123 HydrophobicContact CG-CD1 4.33Å; F111-L123 HydrophobicContact CD1-CD2 4.13Å; F111-L123 HydrophobicContact CE1-CD2 3.72Å; I114-L123 HydrophobicContact CD1-CD1 3.93Å; I114-L123 HydrophobicContact CD1-CD2 3.47Å; I114-L123 VanDerWaalsContact CD1-CD2 3.47Å; I114-L123 HydrophobicContact CD1-CG 4.38Å; L120-L123 HydrophobicContact CD2-CB 3.81Å; L120-L123 HydrophobicContact CD2-CD1 3.88Å; L120-L123 HydrophobicContact CD2-CD2 4.35Å; L120-L123 HydrophobicContact CD2-CG 4.23Å; L120-L123 HydrophobicContact CG-CB 4.49Å; L123-V125 HydrophobicContact CD1-CG1 3.65Å; L123-V125 HydrophobicContact CG-CG1 4.05Å; L123-L144 HydrophobicContact CB-CD2 3.8Å; L123-L144 HydrophobicContact CD2-CD1 4.41Å; L123-T146 PolarHBondContact N-O 2.84Å; L123-I147 CarbonylContact O-C 3.48Å; L123-I147 WeakPolarHBondContact O-CA 3.18Å; L123-H148 PolarHBondContact O-N 3.32Å |
| 124 | K | 88.3 | Confident | 84.2 | Confident | 74 Ų | 74 | 31.8 Ų | 31.8 | 32% | 0.322 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 100.3 | 175.5 | -75.8 | 173.2 | 179.6 | -177.7 | 0 | 109.8 | L101 N102 I103 S104 V122 H148 | L101-K124 PolarHBondContact O-N 3.49Å; N102-K124 HydrophobicContact CB-CB 4.12Å; N102-K124 HydrophobicContact CB-CD 4.46Å; N102-K124 VanDerWaalsContact OD1-CB 3.31Å; N102-K124 WeakPolarHBondContact OD1-CB 3.35Å; I103-K124 CarbonylContact C-O 3.6Å; I103-K124 WeakPolarHBondContact CG1-O 3.33Å; I103-K124 PolarHBondContact N-O 3.36Å; S104-K124 PolarHBondContact N-O 2.71Å; S104-K124 VanDerWaalsContact N-O 3.15Å; V122-K124 HydrophobicContact CG1-CD 4.5Å; V122-K124 HydrophobicContact CG1-CG 4.39Å; K124-H148 HydrophobicContact CG-CB 4.09Å; K124-H148 WeakPolarHBondContact CG-CD2 3.47Å |
| 125 | V | 87.2 | Confident | 84 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -118.4 | 14.5 | 177.7 | -68.2 | 0 | 0 | 0 | 0 | 111.9 | I103 F111 L123 N128 I130 H148 L149 N152 | I103-V125 HydrophobicContact CD1-CG1 3.64Å; I103-V125 HydrophobicContact CG1-CG1 3.79Å; F111-V125 HydrophobicContact CE1-CB 4.44Å; F111-V125 HydrophobicContact CE1-CG1 4.13Å; F111-V125 HydrophobicContact CE1-CG2 3.68Å; F111-V125 HydrophobicContact CZ-CG2 3.97Å; L123-V125 HydrophobicContact CD1-CG1 3.65Å; L123-V125 HydrophobicContact CG-CG1 4.05Å; V125-N128 WeakPolarHBondContact O-CB 3.3Å; V125-N128 PolarHBondContact O-ND2 3.33Å; V125-I130 HydrophobicContact CB-CD1 3.75Å; V125-I130 HydrophobicContact CG1-CD1 4.21Å; V125-I130 HydrophobicContact CG2-CD1 3.85Å; V125-H148 CarbonylContact C-O 3.56Å; V125-H148 WeakPolarHBondContact CG2-O 3.04Å; V125-H148 PolarHBondContact N-O 3.07Å; V125-L149 HydrophobicContact CG2-CD2 3.83Å; V125-L149 HydrophobicContact CG2-CG 3.99Å; V125-N152 PolarHBondContact O-ND2 2.82Å | ||
| 126 | N | 86.3 | Confident | 84 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.064 | 21% | 0.205 | C | C | . | . | trans | -66.6 | 151.4 | -179.8 | 58.5 | -79.1 | 0 | 0 | 0 | 112.7 | S104 H105 N128 H148 H150 | S104-N126 CarbonylContact C-O 3.57Å; S104-N126 WeakPolarHBondContact CA-O 3.31Å; S104-N126 WeakPolarHBondContact CB-ND2 3Å; S104-N126 WeakPolarHBondContact CB-O 3.26Å; S104-N126 VanDerWaalsContact CB-OD1 3.27Å; S104-N126 WeakPolarHBondContact CB-OD1 3.19Å; H105-N126 PolarHBondContact N-O 2.76Å; N126-N128 PolarHBondContact O-ND2 3.24Å; N126-H148 HydrophobicContact CB-CB 4.25Å; N126-H148 PolarHBondContact N-O 2.89Å; N126-H148 VanDerWaalsContact N-O 3.09Å; N126-H150 CarbonylContact C-O 3.14Å; N126-H150 WeakPolarHBondContact CA-O 3.46Å; N126-H150 WeakPolarHBondContact CB-CE1 3.23Å; N126-H150 WeakPolarHBondContact CB-ND1 3.3Å; N126-H150 WeakPolarHBondContact CB-NE2 3.3Å; N126-H150 WeakPolarHBondContact CB-O 3.17Å; N126-H150 PolarHBondContact ND2-NE2 3.42Å | ||
| 127 | N | 86.6 | Confident | 84.2 | Confident | 45 Ų | 45 | 36.3 Ų | 36.3 | 24% | 0.241 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 56.4 | 65.2 | -170.8 | -54.9 | -74.9 | 0 | 0 | 0 | 111.5 | H105 N106 H150 Y151 | H105-N127 WeakPolarHBondContact CA-O 3.49Å; H105-N127 HydrophobicContact CB-CB 4.4Å; H105-N127 VanDerWaalsContact CE1-CG 3.46Å; H105-N127 PolarHBondContact CE1-ND2 2.88Å; H105-N127 PolarHBondContact N-O 2.6Å; H105-N127 PolarHBondContact NE2-ND2 3.31Å; N106-N127 PolarHBondContact N-O 3.24Å; N106-N127 VanDerWaalsContact N-O 3.15Å; N127-H150 PolarHBondContact N-O 2.85Å; N127-Y151 WeakPolarHBondContact CA-O 3.37Å; N127-Y151 PolarHBondContact N-O 3.3Å; N127-Y151 VanDerWaalsContact OD1-CB 3.29Å; N127-Y151 WeakPolarHBondContact OD1-CB 3.07Å; N127-Y151 VanDerWaalsContact OD1-CD2 3.26Å; N127-Y151 WeakPolarHBondContact OD1-CD2 3.42Å |
| 128 | N | 86.8 | Confident | 83.7 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -142.5 | -166.9 | 175.1 | -84.3 | -75.6 | 0 | 0 | 0 | 108.9 | I103 N106 C107 I108 V125 N126 I130 Y151 N152 | I103-N128 PolarHBondContact O-ND2 2.8Å; N106-N128 WeakPolarHBondContact CA-OD1 3.22Å; N106-N128 WeakPolarHBondContact CB-OD1 3.41Å; N106-N128 PolarHBondContact N-OD1 3.08Å; N106-N128 PolarHBondContact O-OD1 2.74Å; C107-N128 PolarHBondContact N-OD1 3.23Å; I108-N128 HydrophobicContact CB-CB 4.26Å; I108-N128 VanDerWaalsContact CB-OD1 3.27Å; I108-N128 WeakPolarHBondContact CB-OD1 3.13Å; I108-N128 WeakPolarHBondContact CG1-OD1 3.46Å; I108-N128 PolarHBondContact N-OD1 2.75Å; V125-N128 WeakPolarHBondContact O-CB 3.3Å; V125-N128 PolarHBondContact O-ND2 3.33Å; N126-N128 PolarHBondContact O-ND2 3.24Å; N128-I130 HydrophobicContact CB-CG1 4.4Å; N128-Y151 PolarHBondContact N-O 2.56Å; N128-N152 WeakPolarHBondContact CA-OD1 3.28Å; N128-N152 WeakPolarHBondContact CB-OD1 3.42Å; N128-N152 PolarHBondContact O-OD1 3.31Å |
| 129 | Q | 84.3 | Confident | 83.5 | Confident | 84 Ų | 84 | 42.2 Ų | 42.2 | 39% | 0.393 | 21% | 0.208 | S | C | . | . | trans | -115.8 | 27.5 | -178.2 | -61 | -176.7 | 8.2 | 0 | 0 | 112.4 | I108 T109 T131 N152 | I108-Q129 CarbonylContact O-C 3.57Å; I108-Q129 VanDerWaalsContact O-C 3.25Å; I108-Q129 WeakPolarHBondContact O-CA 3.47Å; I108-Q129 PolarHBondContact O-N 2.95Å; T109-Q129 WeakPolarHBondContact CA-O 3.38Å; T109-Q129 HydrophobicContact CG2-CB 3.98Å; Q129-T131 PolarHBondContact O-N 2.88Å; Q129-T131 VanDerWaalsContact O-N 3.15Å; Q129-N152 PolarHBondContact N-OD1 2.8Å | ||
| 130 | I | 84.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -66.8 | 117.1 | -174 | -61.4 | 176.1 | 0 | 0 | 0 | 110.1 | I108 T109 F111 V125 N128 S132 L149 N152 Q153 I154 | I108-I130 HydrophobicContact CG2-CG1 4.47Å; I108-I130 WeakPolarHBondContact O-CG1 3.03Å; I108-I130 PolarHBondContact O-N 2.89Å; T109-I130 WeakPolarHBondContact O-CA 3.45Å; F111-I130 HydrophobicContact CD1-CD1 4.28Å; F111-I130 HydrophobicContact CD2-CD1 4.34Å; F111-I130 HydrophobicContact CD2-CG2 3.85Å; F111-I130 HydrophobicContact CE1-CD1 4.06Å; F111-I130 HydrophobicContact CE2-CD1 4.14Å; F111-I130 HydrophobicContact CE2-CG2 3.68Å; F111-I130 HydrophobicContact CG-CD1 4.45Å; F111-I130 HydrophobicContact CZ-CD1 4.01Å; F111-I130 HydrophobicContact CZ-CG2 4.48Å; V125-I130 HydrophobicContact CB-CD1 3.75Å; V125-I130 HydrophobicContact CG1-CD1 4.21Å; V125-I130 HydrophobicContact CG2-CD1 3.85Å; N128-I130 HydrophobicContact CB-CG1 4.4Å; I130-S132 VanDerWaalsContact CG2-O 3.31Å; I130-S132 WeakPolarHBondContact CG2-O 3.47Å; I130-L149 HydrophobicContact CD1-CD2 4.29Å; I130-L149 HydrophobicContact CG2-CD2 4.5Å; I130-N152 HydrophobicContact CB-CB 4.18Å; I130-N152 VanDerWaalsContact CB-OD1 3.27Å; I130-N152 WeakPolarHBondContact CB-OD1 3.09Å; I130-N152 WeakPolarHBondContact CG1-OD1 3.48Å; I130-N152 PolarHBondContact N-OD1 2.79Å; I130-Q153 CarbonylContact O-C 3.58Å; I130-Q153 VanDerWaalsContact O-C 3.24Å; I130-Q153 WeakPolarHBondContact O-CA 3.29Å; I130-Q153 PolarHBondContact O-N 3.39Å; I130-I154 WeakPolarHBondContact O-CG1 3.29Å; I130-I154 PolarHBondContact O-N 2.74Å | ||
| 131 | T | 80.8 | Confident | 83.1 | Confident | 60 Ų | 60 | 47.2 Ų | 47.2 | 37% | 0.368 | 22% | 0.224 | S | C | . | . | trans | -84.8 | -19.4 | -177.4 | 57.5 | 0 | 0 | 0 | 0 | 114 | T109 Q129 Q153 I154 | T109-T131 PolarHBondContact O-N 2.78Å; Q129-T131 PolarHBondContact O-N 2.88Å; Q129-T131 VanDerWaalsContact O-N 3.15Å; T131-Q153 WeakPolarHBondContact CA-O 3.38Å; T131-Q153 HydrophobicContact CG2-CB 4.05Å; T131-I154 WeakPolarHBondContact O-CA 3.11Å | ||
| 132 | S | 78.7 | Confident | 82.8 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 38% | 0.378 | 23% | 0.229 | S | C | . | . | trans | -152.8 | 151.5 | -177.2 | 56.7 | 0 | 0 | 0 | 0 | 115.9 | I130 Q159 | I130-S132 VanDerWaalsContact CG2-O 3.31Å; I130-S132 WeakPolarHBondContact CG2-O 3.47Å; S132-Q159 VanDerWaalsContact CB-OE1 3.25Å | ||
| 133 | I | 81.7 | Confident | 82.5 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | trans | -92.8 | 114.3 | 169.8 | -47.2 | -178.3 | 0 | 0 | 0 | 108.5 | L137 L149 I154 Q159 I160 Y162 L163 F172 F174 | I133-L137 HydrophobicContact CG2-CD1 4.28Å; I133-L149 HydrophobicContact CD1-CD1 3.85Å; I133-L149 HydrophobicContact CG1-CD1 3.94Å; I133-I154 HydrophobicContact CD1-CD1 4.06Å; I133-I154 HydrophobicContact CG1-CD1 3.57Å; I133-I154 HydrophobicContact CG1-CG1 4.4Å; I133-I154 HydrophobicContact CG1-CG2 4.37Å; I133-Q159 HydrophobicContact CB-CB 4.21Å; I133-Q159 HydrophobicContact CG1-CB 4.36Å; I133-I160 HydrophobicContact CD1-CG1 3.94Å; I133-Y162 WeakPolarHBondContact O-CD2 3.08Å; I133-L163 HydrophobicContact CD1-CD1 4.25Å; I133-L163 HydrophobicContact CG2-CD1 4.25Å; I133-L163 HydrophobicContact CG2-CD2 3.81Å; I133-L163 HydrophobicContact CG2-CG 4.06Å; I133-F172 HydrophobicContact CD1-CZ 4.47Å; I133-F174 HydrophobicContact CD1-CE2 4.25Å | ||
| 134 | P | 79.6 | Confident | 82.3 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | trans | -76.7 | 137.6 | -176.3 | 26.3 | -31.6 | 0 | 0 | 0 | 112.8 | F111 W136 L137 | F111-P134 HydrophobicContact CB-CG 4.12Å; F111-P134 VanDerWaalsContact CD2-CD 3.41Å; F111-P134 HydrophobicContact CD2-CG 4.09Å; F111-P134 HydrophobicContact CG-CG 4.44Å; P134-W136 HydrophobicContact CB-CD2 4.17Å; P134-W136 HydrophobicContact CB-CG 4.14Å; P134-W136 HydrophobicContact CB-CZ2 4.17Å; P134-W136 HydrophobicContact CG-CD2 4.13Å; P134-W136 HydrophobicContact CG-CH2 4.18Å; P134-W136 HydrophobicContact CG-CZ2 3.54Å; P134-W136 PolarHBondContact O-N 2.77Å; P134-L137 HydrophobicContact CG-CB 4.3Å; P134-L137 HydrophobicContact CG-CD1 4.48Å; P134-L137 WeakPolarHBondContact O-CB 3.27Å; P134-L137 PolarHBondContact O-N 3.37Å | ||
| 135 | K | 78.9 | Confident | 82.1 | Confident | 137 Ų | 137 | 51.9 Ų | 51.9 | 60% | 0.596 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -19.6 | 175.6 | -65.5 | 174.6 | -178.8 | 172.1 | 0 | 114.4 | Y162 | K135-Y162 HydrophobicContact CB-CD2 4.41Å; K135-Y162 HydrophobicContact CD-CE1 4.5Å; K135-Y162 HydrophobicContact CD-CE2 4.41Å; K135-Y162 VanDerWaalsContact CE-CZ 3.5Å; K135-Y162 WeakPolarHBondContact CE-OH 3.32Å; K135-Y162 HydrophobicContact CG-CD1 4.08Å; K135-Y162 HydrophobicContact CG-CD2 3.58Å; K135-Y162 HydrophobicContact CG-CE1 4.07Å; K135-Y162 HydrophobicContact CG-CE2 3.54Å; K135-Y162 HydrophobicContact CG-CG 3.86Å |
| 136 | W | 80.3 | Confident | 82 | Confident | 65 Ų | 65 | 52.9 Ų | 52.9 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -17.8 | 178 | 62.9 | -111.7 | 0 | 0 | 0 | 114.4 | F111 I114 Q115 P134 P138 K139 R140 L141 | F111-W136 HydrophobicContact CB-CH2 3.99Å; F111-W136 HydrophobicContact CB-CZ2 4.01Å; I114-W136 HydrophobicContact CG1-CH2 4.04Å; Q115-W136 VanDerWaalsContact CD-CZ2 3.49Å; Q115-W136 HydrophobicContact CG-CD2 4.16Å; Q115-W136 HydrophobicContact CG-CE3 4.05Å; Q115-W136 HydrophobicContact CG-CH2 3.67Å; Q115-W136 HydrophobicContact CG-CZ2 3.72Å; Q115-W136 HydrophobicContact CG-CZ3 3.82Å; P134-W136 HydrophobicContact CB-CD2 4.17Å; P134-W136 HydrophobicContact CB-CG 4.14Å; P134-W136 HydrophobicContact CB-CZ2 4.17Å; P134-W136 HydrophobicContact CG-CD2 4.13Å; P134-W136 HydrophobicContact CG-CH2 4.18Å; P134-W136 HydrophobicContact CG-CZ2 3.54Å; P134-W136 PolarHBondContact O-N 2.77Å; W136-P138 VanDerWaalsContact C-CD 3.49Å; W136-K139 PolarHBondContact O-N 3.32Å; W136-R140 HydrophobicContact CD2-CG 4.47Å; W136-R140 HydrophobicContact CE3-CB 3.83Å; W136-R140 HydrophobicContact CE3-CG 3.75Å; W136-R140 HydrophobicContact CZ3-CB 4.2Å; W136-R140 HydrophobicContact CZ3-CG 4.47Å; W136-R140 PolarHBondContact O-N 3.37Å; W136-L141 HydrophobicContact CZ3-CD1 4.34Å |
| 137 | L | 80.9 | Confident | 82 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -52.3 | -46.6 | -171.9 | -160.8 | 159 | 0 | 0 | 0 | 112.7 | F111 I133 P134 K139 L141 L144 I147 L163 L166 | F111-L137 HydrophobicContact CD1-CD1 4.24Å; F111-L137 HydrophobicContact CD2-CD1 4.27Å; F111-L137 HydrophobicContact CE1-CD1 4.1Å; F111-L137 HydrophobicContact CE2-CD1 4.12Å; F111-L137 HydrophobicContact CG-CD1 4.29Å; F111-L137 HydrophobicContact CZ-CD1 4.02Å; I133-L137 HydrophobicContact CG2-CD1 4.28Å; P134-L137 HydrophobicContact CG-CB 4.3Å; P134-L137 HydrophobicContact CG-CD1 4.48Å; P134-L137 WeakPolarHBondContact O-CB 3.27Å; P134-L137 PolarHBondContact O-N 3.37Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 2.82Å; L137-L141 HydrophobicContact CD2-CD1 4.33Å; L137-L141 HydrophobicContact CG-CD1 4.23Å; L137-L141 WeakPolarHBondContact O-CB 3.11Å; L137-L141 PolarHBondContact O-N 3.44Å; L137-L144 HydrophobicContact CD2-CD1 3.55Å; L137-I147 HydrophobicContact CD2-CD1 3.98Å; L137-L163 HydrophobicContact CB-CD2 4.39Å; L137-L163 HydrophobicContact CD2-CD2 3.97Å; L137-L166 HydrophobicContact CD2-CD1 4.12Å |
| 138 | P | 75.5 | Confident | 82 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.032 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.7 | -37 | 176.2 | -20.6 | 32.3 | 0 | 0 | 0 | 114.4 | W136 P142 Y162 L163 S165 L166 | W136-P138 VanDerWaalsContact C-CD 3.49Å; P138-P142 WeakPolarHBondContact O-CA 3.2Å; P138-Y162 WeakPolarHBondContact CG-O 3.4Å; P138-L163 HydrophobicContact CG-CD2 4.34Å; P138-S165 WeakPolarHBondContact CB-OG 3.18Å; P138-S165 WeakPolarHBondContact CG-OG 3.46Å; P138-L166 HydrophobicContact CB-CD2 4.12Å; P138-L166 HydrophobicContact CB-CG 3.88Å; P138-L166 HydrophobicContact CG-CG 4.31Å |
| 139 | K | 76.7 | Confident | 81.9 | Confident | 176 Ų | 176 | 50.5 Ų | 50.5 | 77% | 0.765 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -77.7 | -28.6 | -173.3 | -62.8 | -174.6 | 178.9 | -177.5 | 0 | 112.5 | W136 L137 | W136-K139 PolarHBondContact O-N 3.32Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 2.82Å |
| 140 | R | 80.1 | Confident | 81.8 | Confident | 151 Ų | 151 | 48 Ų | 48 | 57% | 0.57 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -92.3 | -32.7 | 177.7 | -66.3 | -65 | -178.3 | 177.3 | -0.1 | 113.1 | W136 P142 | W136-R140 HydrophobicContact CD2-CG 4.47Å; W136-R140 HydrophobicContact CE3-CB 3.83Å; W136-R140 HydrophobicContact CE3-CG 3.75Å; W136-R140 HydrophobicContact CZ3-CB 4.2Å; W136-R140 HydrophobicContact CZ3-CG 4.47Å; W136-R140 PolarHBondContact O-N 3.37Å; R140-P142 VanDerWaalsContact O-CD 3.23Å; R140-P142 WeakPolarHBondContact O-CD 3.37Å |
| 141 | L | 83 | Confident | 81.7 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -118.9 | 50 | -174.6 | -50.9 | 176.6 | 0 | 0 | 0 | 111.7 | I114 L117 W136 L137 K143 L144 L166 | I114-L141 HydrophobicContact CD1-CD1 3.64Å; I114-L141 HydrophobicContact CG1-CD1 4.18Å; L117-L141 HydrophobicContact CB-CD2 4.17Å; L117-L141 WeakPolarHBondContact O-CD2 3.4Å; W136-L141 HydrophobicContact CZ3-CD1 4.34Å; L137-L141 HydrophobicContact CD2-CD1 4.33Å; L137-L141 HydrophobicContact CG-CD1 4.23Å; L137-L141 WeakPolarHBondContact O-CB 3.11Å; L137-L141 PolarHBondContact O-N 3.44Å; L141-K143 PolarHBondContact O-N 2.97Å; L141-L144 HydrophobicContact CB-CD1 3.45Å; L141-L144 VanDerWaalsContact CB-CD1 3.45Å; L141-L144 HydrophobicContact CB-CG 3.85Å; L141-L144 HydrophobicContact CD1-CD1 3.74Å; L141-L144 HydrophobicContact CG-CD1 4.23Å; L141-L144 WeakPolarHBondContact O-CB 3.34Å; L141-L144 PolarHBondContact O-N 3.32Å; L141-L166 WeakPolarHBondContact O-CD2 3.33Å | ||
| 142 | P | 79.8 | Confident | 81.9 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -12.9 | -170.7 | 30.7 | -38.3 | 0 | 0 | 0 | 114 | P138 R140 N168 | P138-P142 WeakPolarHBondContact O-CA 3.2Å; R140-P142 VanDerWaalsContact O-CD 3.23Å; R140-P142 WeakPolarHBondContact O-CD 3.37Å; P142-N168 PolarHBondContact O-ND2 2.69Å |
| 143 | K | 82 | Confident | 82.1 | Confident | 98 Ų | 98 | 52.5 Ų | 52.5 | 43% | 0.426 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -2.8 | 175.4 | -64.9 | -175.9 | -179.1 | 177.6 | 0 | 113.6 | N119 L120 L121 L141 K145 | N119-K143 PolarHBondContact OD1-NZ 2.7Å; L120-K143 CarbonylContact O-C 3.5Å; L121-K143 HydrophobicContact CD2-CB 3.92Å; L121-K143 WeakPolarHBondContact CD2-O 3.2Å; L141-K143 PolarHBondContact O-N 2.97Å; K143-K145 PolarHBondContact O-N 2.79Å |
| 144 | L | 85.2 | Confident | 82 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -59.7 | 121.1 | 179.5 | -87.6 | 170.7 | 0 | 0 | 0 | 111.5 | L120 L123 L137 L141 I147 L166 N168 L169 | L120-L144 HydrophobicContact CB-CD2 4.45Å; L120-L144 HydrophobicContact CD2-CD2 4.24Å; L120-L144 HydrophobicContact CG-CD2 4.09Å; L120-L144 WeakPolarHBondContact O-CA 3.33Å; L120-L144 WeakPolarHBondContact O-CD2 3.13Å; L120-L144 WeakPolarHBondContact O-CG 3.1Å; L120-L144 PolarHBondContact O-N 2.65Å; L123-L144 HydrophobicContact CB-CD2 3.8Å; L123-L144 HydrophobicContact CD2-CD1 4.41Å; L137-L144 HydrophobicContact CD2-CD1 3.55Å; L141-L144 HydrophobicContact CB-CD1 3.45Å; L141-L144 VanDerWaalsContact CB-CD1 3.45Å; L141-L144 HydrophobicContact CB-CG 3.85Å; L141-L144 HydrophobicContact CD1-CD1 3.74Å; L141-L144 HydrophobicContact CG-CD1 4.23Å; L141-L144 WeakPolarHBondContact O-CB 3.34Å; L141-L144 PolarHBondContact O-N 3.32Å; L144-I147 HydrophobicContact CB-CD1 4.45Å; L144-I147 HydrophobicContact CB-CG1 4.38Å; L144-I147 HydrophobicContact CD1-CD1 3.84Å; L144-I147 HydrophobicContact CD1-CG1 3.91Å; L144-I147 HydrophobicContact CD2-CG1 4.12Å; L144-I147 HydrophobicContact CG-CG1 4.38Å; L144-L166 HydrophobicContact CB-CD1 4.25Å; L144-L166 HydrophobicContact CB-CD2 4.37Å; L144-N168 CarbonylContact O-C 3.39Å; L144-L169 PolarHBondContact O-N 3.09Å | ||
| 145 | K | 85 | Confident | 81.8 | Confident | 99 Ų | 99 | 54.6 Ų | 54.6 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | trans | -103.1 | -30.9 | 172.9 | -62.3 | -174.4 | 178 | -177.2 | 0 | 111.8 | L121 K143 N168 T170 V171 | L121-K145 PolarHBondContact O-N 3.13Å; K143-K145 PolarHBondContact O-N 2.79Å; K145-N168 WeakPolarHBondContact CA-O 3.08Å; K145-N168 HydrophobicContact CG-CB 4.44Å; K145-T170 PolarHBondContact O-N 2.79Å; K145-T170 PolarHBondContact O-OG1 2.63Å; K145-V171 PolarHBondContact O-N 3.43Å | ||
| 146 | T | 84.4 | Confident | 81.5 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 14% | 0.135 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 120.2 | -173.6 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | L121 V122 L123 H148 V171 | L121-T146 PolarHBondContact O-N 3.48Å; V122-T146 WeakPolarHBondContact CA-O 3.01Å; V122-T146 HydrophobicContact CG1-CG2 3.94Å; L123-T146 PolarHBondContact N-O 2.84Å; T146-H148 VanDerWaalsContact CG2-CD2 3.48Å; T146-H148 WeakPolarHBondContact CG2-CD2 3.47Å; T146-H148 WeakPolarHBondContact CG2-NE2 3.47Å; T146-V171 CarbonylContact C-O 3.12Å; T146-V171 VanDerWaalsContact CA-O 3.31Å; T146-V171 WeakPolarHBondContact CA-O 3.23Å; T146-V171 HydrophobicContact CG2-CB 3.91Å; T146-V171 HydrophobicContact CG2-CG1 3.97Å |
| 147 | I | 87.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 119.9 | 172.9 | -59.4 | 169 | 0 | 0 | 0 | 108.8 | L123 L137 L144 L149 L163 L166 L169 V171 F172 T173 | L123-I147 CarbonylContact O-C 3.48Å; L123-I147 WeakPolarHBondContact O-CA 3.18Å; L137-I147 HydrophobicContact CD2-CD1 3.98Å; L144-I147 HydrophobicContact CB-CD1 4.45Å; L144-I147 HydrophobicContact CB-CG1 4.38Å; L144-I147 HydrophobicContact CD1-CD1 3.84Å; L144-I147 HydrophobicContact CD1-CG1 3.91Å; L144-I147 HydrophobicContact CD2-CG1 4.12Å; L144-I147 HydrophobicContact CG-CG1 4.38Å; I147-L149 HydrophobicContact CG2-CD1 4.28Å; I147-L149 HydrophobicContact CG2-CG 4.21Å; I147-L163 HydrophobicContact CD1-CD1 4.49Å; I147-L166 HydrophobicContact CD1-CD1 3.82Å; I147-L169 HydrophobicContact CB-CD1 4.24Å; I147-L169 HydrophobicContact CD1-CD1 3.71Å; I147-L169 HydrophobicContact CD1-CD2 4.35Å; I147-L169 HydrophobicContact CG1-CD1 3.76Å; I147-V171 PolarHBondContact N-O 3.43Å; I147-F172 HydrophobicContact CB-CD2 4.03Å; I147-F172 HydrophobicContact CB-CE2 4.43Å; I147-F172 HydrophobicContact CG2-CD2 4.25Å; I147-F172 HydrophobicContact CG2-CE2 4.17Å; I147-F172 WeakPolarHBondContact O-CA 3.41Å; I147-T173 PolarHBondContact O-N 2.64Å; I147-T173 VanDerWaalsContact O-N 3.09Å |
| 148 | H | 86.4 | Confident | 80.7 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 110.4 | 170.1 | -60 | -94 | 0 | 0 | 0 | 111.4 | L123 K124 V125 N126 T146 T173 | L123-H148 PolarHBondContact O-N 3.32Å; K124-H148 HydrophobicContact CG-CB 4.09Å; K124-H148 WeakPolarHBondContact CG-CD2 3.47Å; V125-H148 CarbonylContact C-O 3.56Å; V125-H148 WeakPolarHBondContact CG2-O 3.04Å; V125-H148 PolarHBondContact N-O 3.07Å; N126-H148 HydrophobicContact CB-CB 4.25Å; N126-H148 PolarHBondContact N-O 2.89Å; N126-H148 VanDerWaalsContact N-O 3.09Å; T146-H148 VanDerWaalsContact CG2-CD2 3.48Å; T146-H148 WeakPolarHBondContact CG2-CD2 3.47Å; T146-H148 WeakPolarHBondContact CG2-NE2 3.47Å; H148-T173 WeakPolarHBondContact CA-OG1 3.27Å; H148-T173 WeakPolarHBondContact CB-OG1 3.36Å; H148-T173 WeakPolarHBondContact ND1-CG2 3.42Å; H148-T173 PolarHBondContact ND1-OG1 3.47Å; H148-T173 VanDerWaalsContact ND1-OG1 3.16Å |
| 149 | L | 84.7 | Confident | 80.5 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | trans | -118.2 | 2.5 | -176.2 | -110.1 | 177.2 | 0 | 0 | 0 | 113.1 | F111 V125 I130 I133 I147 N152 I154 F172 T173 N177 | F111-L149 HydrophobicContact CE2-CD1 4.32Å; F111-L149 HydrophobicContact CE2-CD2 4.16Å; F111-L149 HydrophobicContact CZ-CD1 3.88Å; F111-L149 HydrophobicContact CZ-CD2 3.69Å; F111-L149 HydrophobicContact CZ-CG 3.84Å; V125-L149 HydrophobicContact CG2-CD2 3.83Å; V125-L149 HydrophobicContact CG2-CG 3.99Å; I130-L149 HydrophobicContact CD1-CD2 4.29Å; I130-L149 HydrophobicContact CG2-CD2 4.5Å; I133-L149 HydrophobicContact CD1-CD1 3.85Å; I133-L149 HydrophobicContact CG1-CD1 3.94Å; I147-L149 HydrophobicContact CG2-CD1 4.28Å; I147-L149 HydrophobicContact CG2-CG 4.21Å; L149-N152 HydrophobicContact CD2-CB 4.26Å; L149-N152 PolarHBondContact O-ND2 3.05Å; L149-I154 HydrophobicContact CD1-CD1 3.72Å; L149-I154 HydrophobicContact CD2-CD1 3.57Å; L149-I154 HydrophobicContact CG-CD1 4.19Å; L149-F172 HydrophobicContact CD1-CE2 4.2Å; L149-F172 HydrophobicContact CD1-CZ 4.43Å; L149-T173 CarbonylContact C-O 3.55Å; L149-T173 VanDerWaalsContact CA-O 3.28Å; L149-T173 WeakPolarHBondContact CA-O 3.27Å; L149-T173 VanDerWaalsContact CB-O 3.25Å; L149-T173 WeakPolarHBondContact CB-O 3.36Å; L149-T173 PolarHBondContact N-O 2.68Å; L149-N177 PolarHBondContact O-ND2 3.03Å | ||
| 150 | H | 82.5 | Confident | 80.5 | Confident | 32 Ų | 32 | 47.1 Ų | 47.1 | 15% | 0.148 | 22% | 0.22 | C | C | . | . | trans | -60.6 | 145.7 | -178.4 | 61.2 | -87 | 0 | 0 | 0 | 112.7 | N126 N127 T173 E175 | N126-H150 CarbonylContact C-O 3.14Å; N126-H150 WeakPolarHBondContact CA-O 3.46Å; N126-H150 WeakPolarHBondContact CB-CE1 3.23Å; N126-H150 WeakPolarHBondContact CB-ND1 3.3Å; N126-H150 WeakPolarHBondContact CB-NE2 3.3Å; N126-H150 WeakPolarHBondContact CB-O 3.17Å; N126-H150 PolarHBondContact ND2-NE2 3.42Å; N127-H150 PolarHBondContact N-O 2.85Å; H150-T173 PolarHBondContact N-O 3.02Å; H150-T173 PolarHBondContact ND1-OG1 2.9Å; H150-E175 CarbonylContact C-O 3.14Å; H150-E175 WeakPolarHBondContact CA-O 3.4Å; H150-E175 HydrophobicContact CB-CB 4.34Å; H150-E175 WeakPolarHBondContact CB-O 3.35Å | ||
| 151 | Y | 82.9 | Confident | 80.1 | Confident | 121 Ų | 121 | 41.3 Ų | 41.3 | 48% | 0.475 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 49.9 | 73.5 | -168.6 | -55 | -70.4 | 0 | 0 | 0 | 112.8 | N127 N128 E175 | N127-Y151 WeakPolarHBondContact CA-O 3.37Å; N127-Y151 PolarHBondContact N-O 3.3Å; N127-Y151 VanDerWaalsContact OD1-CB 3.29Å; N127-Y151 WeakPolarHBondContact OD1-CB 3.07Å; N127-Y151 VanDerWaalsContact OD1-CD2 3.26Å; N127-Y151 WeakPolarHBondContact OD1-CD2 3.42Å; N128-Y151 PolarHBondContact N-O 2.56Å; Y151-E175 PolarHBondContact N-O 3.21Å |
| 152 | N | 85.1 | Confident | 79.8 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 3% | 0.032 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -135.8 | -174 | 168.8 | -85.6 | -78.2 | 0 | 0 | 0 | 108.8 | V125 N128 Q129 I130 L149 N177 P178 | V125-N152 PolarHBondContact O-ND2 2.82Å; N128-N152 WeakPolarHBondContact CA-OD1 3.28Å; N128-N152 WeakPolarHBondContact CB-OD1 3.42Å; N128-N152 PolarHBondContact O-OD1 3.31Å; Q129-N152 PolarHBondContact N-OD1 2.8Å; I130-N152 HydrophobicContact CB-CB 4.18Å; I130-N152 VanDerWaalsContact CB-OD1 3.27Å; I130-N152 WeakPolarHBondContact CB-OD1 3.09Å; I130-N152 WeakPolarHBondContact CG1-OD1 3.48Å; I130-N152 PolarHBondContact N-OD1 2.79Å; L149-N152 HydrophobicContact CD2-CB 4.26Å; L149-N152 PolarHBondContact O-ND2 3.05Å; N152-N177 WeakPolarHBondContact CA-OD1 3.21Å; N152-N177 WeakPolarHBondContact CB-OD1 3.49Å; N152-N177 PolarHBondContact O-OD1 3.39Å; N152-P178 VanDerWaalsContact O-CD 3.31Å; N152-P178 WeakPolarHBondContact O-CD 3.15Å |
| 153 | Q | 81.1 | Confident | 79.7 | Confident | 80 Ų | 80 | 41.8 Ų | 41.8 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | trans | -105.1 | 29.4 | -176.3 | -67.4 | -176.5 | -3.7 | 0 | 0 | 113 | I130 T131 D155 | I130-Q153 CarbonylContact O-C 3.58Å; I130-Q153 VanDerWaalsContact O-C 3.24Å; I130-Q153 WeakPolarHBondContact O-CA 3.29Å; I130-Q153 PolarHBondContact O-N 3.39Å; T131-Q153 WeakPolarHBondContact CA-O 3.38Å; T131-Q153 HydrophobicContact CG2-CB 4.05Å; Q153-D155 PolarHBondContact O-N 3.29Å; Q153-D155 VanDerWaalsContact O-N 3.15Å | ||
| 154 | I | 79.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -72.7 | 112.3 | -177.5 | -58 | 165.2 | 0 | 0 | 0 | 110.4 | I130 T131 I133 L149 F174 N177 P178 A179 | I130-I154 WeakPolarHBondContact O-CG1 3.29Å; I130-I154 PolarHBondContact O-N 2.74Å; T131-I154 WeakPolarHBondContact O-CA 3.11Å; I133-I154 HydrophobicContact CD1-CD1 4.06Å; I133-I154 HydrophobicContact CG1-CD1 3.57Å; I133-I154 HydrophobicContact CG1-CG1 4.4Å; I133-I154 HydrophobicContact CG1-CG2 4.37Å; L149-I154 HydrophobicContact CD1-CD1 3.72Å; L149-I154 HydrophobicContact CD2-CD1 3.57Å; L149-I154 HydrophobicContact CG-CD1 4.19Å; I154-F174 HydrophobicContact CB-CE2 3.93Å; I154-F174 HydrophobicContact CB-CZ 4.04Å; I154-F174 HydrophobicContact CD1-CD2 4.36Å; I154-F174 HydrophobicContact CD1-CE2 3.71Å; I154-F174 HydrophobicContact CG1-CE2 4.42Å; I154-F174 HydrophobicContact CG2-CE2 3.88Å; I154-F174 HydrophobicContact CG2-CZ 3.9Å; I154-N177 HydrophobicContact CB-CB 4.25Å; I154-N177 VanDerWaalsContact CB-OD1 3.32Å; I154-N177 WeakPolarHBondContact CB-OD1 3.33Å; I154-N177 WeakPolarHBondContact CG1-OD1 3.46Å; I154-N177 PolarHBondContact N-OD1 3.15Å; I154-P178 WeakPolarHBondContact O-CD 3.34Å; I154-A179 WeakPolarHBondContact O-CB 3.37Å; I154-A179 PolarHBondContact O-N 2.92Å | ||
| 155 | D | 75.9 | Confident | 78.6 | Confident | 72 Ų | 72 | 48.3 Ų | 48.3 | 39% | 0.385 | 23% | 0.23 | S | C | . | . | trans | -80.6 | -33.9 | -169.8 | -67 | -49.9 | 0 | 0 | 0 | 115.3 | Q153 A179 Q182 | Q153-D155 PolarHBondContact O-N 3.29Å; Q153-D155 VanDerWaalsContact O-N 3.15Å; D155-A179 WeakPolarHBondContact O-CA 3.14Å; D155-A179 WeakPolarHBondContact O-CB 3.45Å; D155-A179 PolarHBondContact O-N 3.28Å; D155-Q182 PolarHBondContact O-OE1 2.65Å | ||
| 156 | T | 72.2 | Confident | 78.3 | Confident | 64 Ų | 64 | 43.7 Ų | 43.7 | 39% | 0.393 | 21% | 0.211 | S | C | . | . | trans | -121.4 | 121.1 | -172.3 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | H158 Q159 | T156-H158 PolarHBondContact O-N 2.85Å; T156-H158 VanDerWaalsContact O-N 3.12Å; T156-Q159 PolarHBondContact O-N 2.73Å; T156-Q159 VanDerWaalsContact O-N 3.16Å; T156-Q159 WeakPolarHBondContact OG1-CG 3.11Å; T156-Q159 PolarHBondContact OG1-NE2 3.27Å | ||
| 157 | L | 73.2 | Confident | 77.6 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 9% | 0.089 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -59.1 | -28.1 | -177 | -160.4 | 73 | 0 | 0 | 0 | 113.3 | Q159 I160 F174 A179 L183 C211 F214 I215 | L157-Q159 PolarHBondContact O-N 3.05Å; L157-Q159 VanDerWaalsContact O-N 3.11Å; L157-I160 HydrophobicContact CD1-CD1 3.64Å; L157-I160 HydrophobicContact CG-CD1 4.21Å; L157-I160 WeakPolarHBondContact O-CB 2.94Å; L157-I160 WeakPolarHBondContact O-CG1 3.14Å; L157-I160 PolarHBondContact O-N 3.01Å; L157-I160 VanDerWaalsContact O-N 3.12Å; L157-F174 HydrophobicContact CD1-CD1 4.19Å; L157-F174 HydrophobicContact CD1-CE1 3.62Å; L157-F174 HydrophobicContact CD1-CZ 4.33Å; L157-A179 HydrophobicContact CB-CB 4.26Å; L157-A179 HydrophobicContact CD1-CB 4.31Å; L157-L183 HydrophobicContact CD2-CD1 3.73Å; L157-C211 HydrophobicContact CD1-CB 4.38Å; L157-C211 HydrophobicContact CD2-CB 4.32Å; L157-F214 HydrophobicContact CB-CE1 4.31Å; L157-F214 HydrophobicContact CD2-CB 3.89Å; L157-F214 HydrophobicContact CD2-CD1 3.29Å; L157-F214 HydrophobicContact CD2-CD2 4.41Å; L157-F214 HydrophobicContact CD2-CE1 3.84Å; L157-F214 HydrophobicContact CD2-CG 3.62Å; L157-F214 HydrophobicContact CG-CD1 3.55Å; L157-F214 HydrophobicContact CG-CE1 3.71Å; L157-F214 HydrophobicContact CG-CG 4.37Å; L157-I215 HydrophobicContact CD1-CD1 4.33Å; L157-I215 HydrophobicContact CD1-CG1 4.42Å |
| 158 | H | 71.6 | Confident | 77.1 | Confident | 119 Ų | 119 | 50.9 Ų | 50.9 | 55% | 0.551 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -56.6 | -26.7 | 177.8 | -165.1 | -53 | 0 | 0 | 0 | 113.5 | T156 I160 T161 | T156-H158 PolarHBondContact O-N 2.85Å; T156-H158 VanDerWaalsContact O-N 3.12Å; H158-I160 PolarHBondContact O-N 3.2Å; H158-I160 VanDerWaalsContact O-N 3.12Å; H158-T161 PolarHBondContact CE1-OG1 2.83Å; H158-T161 PolarHBondContact ND1-OG1 2.85Å; H158-T161 WeakPolarHBondContact O-CB 3.46Å; H158-T161 WeakPolarHBondContact O-CG2 3.36Å; H158-T161 PolarHBondContact O-N 2.95Å; H158-T161 PolarHBondContact O-OG1 3.02Å |
| 159 | Q | 71.3 | Confident | 77 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 12% | 0.121 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -62.6 | -22.1 | 179.6 | -65.2 | 176 | 33.9 | 0 | 0 | 113 | S132 I133 T156 L157 T161 Y162 | S132-Q159 VanDerWaalsContact CB-OE1 3.25Å; I133-Q159 HydrophobicContact CB-CB 4.21Å; I133-Q159 HydrophobicContact CG1-CB 4.36Å; T156-Q159 PolarHBondContact O-N 2.73Å; T156-Q159 VanDerWaalsContact O-N 3.16Å; T156-Q159 WeakPolarHBondContact OG1-CG 3.11Å; T156-Q159 PolarHBondContact OG1-NE2 3.27Å; L157-Q159 PolarHBondContact O-N 3.05Å; L157-Q159 VanDerWaalsContact O-N 3.11Å; Q159-T161 PolarHBondContact O-N 2.85Å; Q159-Y162 HydrophobicContact CB-CD2 4.31Å; Q159-Y162 HydrophobicContact CB-CE2 4.08Å; Q159-Y162 HydrophobicContact CG-CE2 4.09Å; Q159-Y162 WeakPolarHBondContact O-CB 3.23Å; Q159-Y162 VanDerWaalsContact O-CD2 3.24Å; Q159-Y162 WeakPolarHBondContact O-CD2 3.46Å; Q159-Y162 VanDerWaalsContact O-CG 3.29Å; Q159-Y162 PolarHBondContact O-N 2.98Å |
| 160 | I | 77 | Confident | 76.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -66.5 | -27.7 | 176.5 | -56.7 | 174.6 | 0 | 0 | 0 | 111.3 | I133 L157 H158 Y162 L163 F172 F174 I215 L219 | I133-I160 HydrophobicContact CD1-CG1 3.94Å; L157-I160 HydrophobicContact CD1-CD1 3.64Å; L157-I160 HydrophobicContact CG-CD1 4.21Å; L157-I160 WeakPolarHBondContact O-CB 2.94Å; L157-I160 WeakPolarHBondContact O-CG1 3.14Å; L157-I160 PolarHBondContact O-N 3.01Å; L157-I160 VanDerWaalsContact O-N 3.12Å; H158-I160 PolarHBondContact O-N 3.2Å; H158-I160 VanDerWaalsContact O-N 3.12Å; I160-Y162 PolarHBondContact O-N 3.33Å; I160-Y162 VanDerWaalsContact O-N 3.09Å; I160-L163 WeakPolarHBondContact O-CB 3.23Å; I160-L163 PolarHBondContact O-N 2.9Å; I160-F172 HydrophobicContact CD1-CE1 4.24Å; I160-F172 HydrophobicContact CG1-CE1 4.48Å; I160-F172 HydrophobicContact CG1-CZ 4.45Å; I160-F172 HydrophobicContact CG2-CE1 4Å; I160-F172 HydrophobicContact CG2-CZ 4.29Å; I160-F174 HydrophobicContact CD1-CD1 3.8Å; I160-F174 HydrophobicContact CD1-CD2 3.81Å; I160-F174 HydrophobicContact CD1-CE1 3.77Å; I160-F174 HydrophobicContact CD1-CE2 3.76Å; I160-F174 HydrophobicContact CD1-CG 3.83Å; I160-F174 HydrophobicContact CD1-CZ 3.75Å; I160-F174 HydrophobicContact CG1-CD2 4.27Å; I160-F174 HydrophobicContact CG1-CE2 4.02Å; I160-F174 HydrophobicContact CG1-CZ 4.29Å; I160-I215 HydrophobicContact CD1-CD1 3.67Å; I160-I215 HydrophobicContact CD1-CG1 3.57Å; I160-I215 HydrophobicContact CG2-CG1 4.34Å; I160-I215 HydrophobicContact CG2-CG2 4.25Å; I160-L219 HydrophobicContact CG2-CD1 3.59Å; I160-L219 HydrophobicContact CG2-CG 4.07Å |
| 161 | T | 71.4 | Confident | 76.8 | Confident | 29 Ų | 29 | 51.4 Ų | 51.4 | 18% | 0.178 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -56.7 | -27.2 | 174.8 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | H158 Q159 L163 R164 F214 | H158-T161 PolarHBondContact CE1-OG1 2.83Å; H158-T161 PolarHBondContact ND1-OG1 2.85Å; H158-T161 WeakPolarHBondContact O-CB 3.46Å; H158-T161 WeakPolarHBondContact O-CG2 3.36Å; H158-T161 PolarHBondContact O-N 2.95Å; H158-T161 PolarHBondContact O-OG1 3.02Å; Q159-T161 PolarHBondContact O-N 2.85Å; T161-L163 PolarHBondContact O-N 2.85Å; T161-R164 WeakPolarHBondContact O-CB 3.47Å; T161-R164 PolarHBondContact O-N 2.66Å; T161-F214 HydrophobicContact CG2-CZ 4.28Å |
| 162 | Y | 76.7 | Confident | 77 | Confident | 71 Ų | 71 | 45.7 Ų | 45.7 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -63.7 | -33.4 | 177.9 | -52.9 | -24 | 0 | 0 | 0 | 111.3 | I133 K135 P138 Q159 I160 R164 S165 | I133-Y162 WeakPolarHBondContact O-CD2 3.08Å; K135-Y162 HydrophobicContact CB-CD2 4.41Å; K135-Y162 HydrophobicContact CD-CE1 4.5Å; K135-Y162 HydrophobicContact CD-CE2 4.41Å; K135-Y162 VanDerWaalsContact CE-CZ 3.5Å; K135-Y162 WeakPolarHBondContact CE-OH 3.32Å; K135-Y162 HydrophobicContact CG-CD1 4.08Å; K135-Y162 HydrophobicContact CG-CD2 3.58Å; K135-Y162 HydrophobicContact CG-CE1 4.07Å; K135-Y162 HydrophobicContact CG-CE2 3.54Å; K135-Y162 HydrophobicContact CG-CG 3.86Å; P138-Y162 WeakPolarHBondContact CG-O 3.4Å; Q159-Y162 HydrophobicContact CB-CD2 4.31Å; Q159-Y162 HydrophobicContact CB-CE2 4.08Å; Q159-Y162 HydrophobicContact CG-CE2 4.09Å; Q159-Y162 WeakPolarHBondContact O-CB 3.23Å; Q159-Y162 VanDerWaalsContact O-CD2 3.24Å; Q159-Y162 WeakPolarHBondContact O-CD2 3.46Å; Q159-Y162 VanDerWaalsContact O-CG 3.29Å; Q159-Y162 PolarHBondContact O-N 2.98Å; I160-Y162 PolarHBondContact O-N 3.33Å; I160-Y162 VanDerWaalsContact O-N 3.09Å; Y162-R164 PolarHBondContact O-N 2.76Å; Y162-S165 PolarHBondContact O-OG 2.68Å |
| 163 | L | 77.9 | Confident | 76.8 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -71.4 | -8 | 179.3 | -56.6 | -178.8 | 0 | 0 | 0 | 113.7 | I133 L137 P138 I147 I160 T161 S165 L166 L169 F172 L219 | I133-L163 HydrophobicContact CD1-CD1 4.25Å; I133-L163 HydrophobicContact CG2-CD1 4.25Å; I133-L163 HydrophobicContact CG2-CD2 3.81Å; I133-L163 HydrophobicContact CG2-CG 4.06Å; L137-L163 HydrophobicContact CB-CD2 4.39Å; L137-L163 HydrophobicContact CD2-CD2 3.97Å; P138-L163 HydrophobicContact CG-CD2 4.34Å; I147-L163 HydrophobicContact CD1-CD1 4.49Å; I160-L163 WeakPolarHBondContact O-CB 3.23Å; I160-L163 PolarHBondContact O-N 2.9Å; T161-L163 PolarHBondContact O-N 2.85Å; L163-S165 PolarHBondContact O-N 2.83Å; L163-L166 HydrophobicContact CD2-CD1 4.13Å; L163-L166 WeakPolarHBondContact O-CB 3.22Å; L163-L166 PolarHBondContact O-N 2.57Å; L163-L169 HydrophobicContact CB-CD2 4.48Å; L163-F172 HydrophobicContact CD1-CD2 4.25Å; L163-F172 HydrophobicContact CD1-CE2 3.45Å; L163-F172 VanDerWaalsContact CD1-CE2 3.45Å; L163-F172 HydrophobicContact CD1-CZ 3.76Å; L163-L219 HydrophobicContact CB-CD1 4.27Å; L163-L219 HydrophobicContact CB-CD2 3.67Å |
| 164 | R | 71.8 | Confident | 76.8 | Confident | 152 Ų | 152 | 41.7 Ų | 41.7 | 57% | 0.574 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -55.1 | -21.1 | 177.6 | -175.2 | 173 | -175.5 | -178.5 | 5.3 | 114 | T161 Y162 H218 L219 | T161-R164 WeakPolarHBondContact O-CB 3.47Å; T161-R164 PolarHBondContact O-N 2.66Å; Y162-R164 PolarHBondContact O-N 2.76Å; R164-H218 WeakPolarHBondContact CB-O 3.3Å; R164-H218 WeakPolarHBondContact CG-O 3.4Å; R164-L219 HydrophobicContact CB-CD2 4.49Å |
| 165 | S | 72.2 | Confident | 76.7 | Confident | 82 Ų | 82 | 44.5 Ų | 44.5 | 57% | 0.573 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -87.2 | -2.4 | 177 | 50.1 | 0 | 0 | 0 | 0 | 115 | P138 Y162 L163 S167 | P138-S165 WeakPolarHBondContact CB-OG 3.18Å; P138-S165 WeakPolarHBondContact CG-OG 3.46Å; Y162-S165 PolarHBondContact O-OG 2.68Å; L163-S165 PolarHBondContact O-N 2.83Å; S165-S167 PolarHBondContact O-N 2.82Å |
| 166 | L | 78.5 | Confident | 76.7 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | trans | -85.6 | 79.1 | 169.3 | -73.8 | 175.7 | 0 | 0 | 0 | 111.2 | L137 P138 L141 L144 I147 L163 N168 L169 | L137-L166 HydrophobicContact CD2-CD1 4.12Å; P138-L166 HydrophobicContact CB-CD2 4.12Å; P138-L166 HydrophobicContact CB-CG 3.88Å; P138-L166 HydrophobicContact CG-CG 4.31Å; L141-L166 WeakPolarHBondContact O-CD2 3.33Å; L144-L166 HydrophobicContact CB-CD1 4.25Å; L144-L166 HydrophobicContact CB-CD2 4.37Å; I147-L166 HydrophobicContact CD1-CD1 3.82Å; L163-L166 HydrophobicContact CD2-CD1 4.13Å; L163-L166 WeakPolarHBondContact O-CB 3.22Å; L163-L166 PolarHBondContact O-N 2.57Å; L166-N168 PolarHBondContact O-N 3.48Å; L166-L169 HydrophobicContact CB-CB 3.77Å; L166-L169 HydrophobicContact CD1-CB 4.42Å; L166-L169 HydrophobicContact CD1-CD2 4.29Å; L166-L169 WeakPolarHBondContact O-CB 3.49Å; L166-L169 PolarHBondContact O-N 3.12Å | ||
| 167 | S | 71.5 | Confident | 77 | Confident | 99 Ų | 99 | 39.8 Ų | 39.8 | 69% | 0.692 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -19.2 | 176.1 | 55.1 | 0 | 0 | 0 | 0 | 114.5 | S165 | S165-S167 PolarHBondContact O-N 2.82Š|
| 168 | N | 76.6 | Confident | 77 | Confident | 73 Ų | 73 | 41 Ų | 41 | 39% | 0.39 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -10.8 | 176.2 | -70.6 | -58.9 | 0 | 0 | 0 | 114.4 | P142 L144 K145 L166 T170 | P142-N168 PolarHBondContact O-ND2 2.69Å; L144-N168 CarbonylContact O-C 3.39Å; K145-N168 WeakPolarHBondContact CA-O 3.08Å; K145-N168 HydrophobicContact CG-CB 4.44Å; L166-N168 PolarHBondContact O-N 3.48Å; N168-T170 PolarHBondContact O-N 2.88Å; N168-T170 VanDerWaalsContact O-N 3.16Å |
| 169 | L | 83.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -73.6 | 108.4 | -172.5 | -176 | 68.8 | 0 | 0 | 0 | 110.5 | L144 I147 L163 L166 F172 L219 S221 L222 | L144-L169 PolarHBondContact O-N 3.09Å; I147-L169 HydrophobicContact CB-CD1 4.24Å; I147-L169 HydrophobicContact CD1-CD1 3.71Å; I147-L169 HydrophobicContact CD1-CD2 4.35Å; I147-L169 HydrophobicContact CG1-CD1 3.76Å; L163-L169 HydrophobicContact CB-CD2 4.48Å; L166-L169 HydrophobicContact CB-CB 3.77Å; L166-L169 HydrophobicContact CD1-CB 4.42Å; L166-L169 HydrophobicContact CD1-CD2 4.29Å; L166-L169 WeakPolarHBondContact O-CB 3.49Å; L166-L169 PolarHBondContact O-N 3.12Å; L169-F172 HydrophobicContact CD2-CD2 4.33Å; L169-L219 HydrophobicContact CD2-CD1 4.1Å; L169-S221 CarbonylContact O-C 3.57Å; L169-S221 WeakPolarHBondContact O-CB 3.41Å; L169-S221 PolarHBondContact O-OG 2.84Å; L169-L222 HydrophobicContact CD2-CD2 4.11Å; L169-L222 HydrophobicContact CG-CD2 3.83Å | ||
| 170 | T | 81.3 | Confident | 76.4 | Confident | 43 Ų | 43 | 35 Ų | 35 | 26% | 0.264 | 20% | 0.198 | S | C | . | . | trans | -106.8 | -24.2 | -179.8 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | K145 N168 I223 L224 | K145-T170 PolarHBondContact O-N 2.79Å; K145-T170 PolarHBondContact O-OG1 2.63Å; N168-T170 PolarHBondContact O-N 2.88Å; N168-T170 VanDerWaalsContact O-N 3.16Å; T170-I223 HydrophobicContact CG2-CD1 3.72Å; T170-I223 HydrophobicContact CG2-CG1 4.12Å; T170-I223 WeakPolarHBondContact O-CA 3.33Å; T170-I223 PolarHBondContact O-N 3.4Å; T170-L224 PolarHBondContact O-N 3.39Å | ||
| 171 | V | 81.8 | Confident | 75.6 | Confident | 22 Ų | 22 | 42.6 Ų | 42.6 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 120.6 | -178.6 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | K145 T146 I147 L224 | K145-V171 PolarHBondContact O-N 3.43Å; T146-V171 CarbonylContact C-O 3.12Å; T146-V171 VanDerWaalsContact CA-O 3.31Å; T146-V171 WeakPolarHBondContact CA-O 3.23Å; T146-V171 HydrophobicContact CG2-CB 3.91Å; T146-V171 HydrophobicContact CG2-CG1 3.97Å; I147-V171 PolarHBondContact N-O 3.43Å; V171-L224 WeakPolarHBondContact CA-O 3.11Å; V171-L224 HydrophobicContact CB-CB 4.36Å; V171-L224 HydrophobicContact CG1-CB 3.99Å; V171-L224 HydrophobicContact CG2-CB 4.16Å; V171-L224 HydrophobicContact CG2-CD1 3.97Å |
| 172 | F | 86.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.6 | 176.7 | -171.7 | -119.2 | 0 | 0 | 0 | 110.2 | I133 I147 L149 I160 L163 L169 F174 I215 L219 L222 L224 L225 D226 | I133-F172 HydrophobicContact CD1-CZ 4.47Å; I147-F172 HydrophobicContact CB-CD2 4.03Å; I147-F172 HydrophobicContact CB-CE2 4.43Å; I147-F172 HydrophobicContact CG2-CD2 4.25Å; I147-F172 HydrophobicContact CG2-CE2 4.17Å; I147-F172 WeakPolarHBondContact O-CA 3.41Å; L149-F172 HydrophobicContact CD1-CE2 4.2Å; L149-F172 HydrophobicContact CD1-CZ 4.43Å; I160-F172 HydrophobicContact CD1-CE1 4.24Å; I160-F172 HydrophobicContact CG1-CE1 4.48Å; I160-F172 HydrophobicContact CG1-CZ 4.45Å; I160-F172 HydrophobicContact CG2-CE1 4Å; I160-F172 HydrophobicContact CG2-CZ 4.29Å; L163-F172 HydrophobicContact CD1-CD2 4.25Å; L163-F172 HydrophobicContact CD1-CE2 3.45Å; L163-F172 VanDerWaalsContact CD1-CE2 3.45Å; L163-F172 HydrophobicContact CD1-CZ 3.76Å; L169-F172 HydrophobicContact CD2-CD2 4.33Å; F172-F174 HydrophobicContact CD1-CB 4.3Å; F172-F174 HydrophobicContact CE1-CB 3.69Å; F172-F174 HydrophobicContact CE1-CD2 4.19Å; F172-F174 HydrophobicContact CE1-CG 4.18Å; F172-F174 HydrophobicContact CZ-CB 4.17Å; F172-F174 AromaticContact CZ-CD2 3.99Å; F172-F174 HydrophobicContact CZ-CD2 3.99Å; F172-F174 HydrophobicContact CZ-CG 4.43Å; F172-I215 HydrophobicContact CD1-CG2 3.84Å; F172-I215 HydrophobicContact CE1-CG2 4.06Å; F172-L219 HydrophobicContact CD1-CD1 4.09Å; F172-L219 HydrophobicContact CE1-CD1 4.27Å; F172-L219 HydrophobicContact CG-CD1 4.39Å; F172-L222 HydrophobicContact CB-CD1 3.89Å; F172-L222 HydrophobicContact CB-CD2 3.5Å; F172-L222 HydrophobicContact CB-CG 4.38Å; F172-L222 HydrophobicContact CD1-CD1 4.44Å; F172-L224 PolarHBondContact N-O 2.64Å; F172-L225 HydrophobicContact CB-CD1 4.39Å; F172-L225 HydrophobicContact CD1-CD1 3.82Å; F172-L225 CarbonylContact O-C 2.8Å; F172-L225 VanDerWaalsContact O-CA 3.26Å; F172-L225 WeakPolarHBondContact O-CA 3.33Å; F172-D226 PolarHBondContact O-N 3.36Å |
| 173 | T | 80.8 | Confident | 73.2 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 131.5 | 169.7 | 61.5 | 0 | 0 | 0 | 0 | 109.3 | I147 H148 L149 H150 D226 | I147-T173 PolarHBondContact O-N 2.64Å; I147-T173 VanDerWaalsContact O-N 3.09Å; H148-T173 WeakPolarHBondContact CA-OG1 3.27Å; H148-T173 WeakPolarHBondContact CB-OG1 3.36Å; H148-T173 WeakPolarHBondContact ND1-CG2 3.42Å; H148-T173 PolarHBondContact ND1-OG1 3.47Å; H148-T173 VanDerWaalsContact ND1-OG1 3.16Å; L149-T173 CarbonylContact C-O 3.55Å; L149-T173 VanDerWaalsContact CA-O 3.28Å; L149-T173 WeakPolarHBondContact CA-O 3.27Å; L149-T173 VanDerWaalsContact CB-O 3.25Å; L149-T173 WeakPolarHBondContact CB-O 3.36Å; L149-T173 PolarHBondContact N-O 2.68Å; H150-T173 PolarHBondContact N-O 3.02Å; H150-T173 PolarHBondContact ND1-OG1 2.9Å; T173-D226 VanDerWaalsContact CA-OD1 3.22Å; T173-D226 WeakPolarHBondContact CA-OD1 3.45Å |
| 174 | F | 82 | Confident | 71.1 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | trans | -136.9 | -8.1 | -170.6 | -171.5 | -98.6 | 0 | 0 | 0 | 112.8 | I133 I154 L157 I160 F172 N177 A179 V180 I215 D226 | I133-F174 HydrophobicContact CD1-CE2 4.25Å; I154-F174 HydrophobicContact CB-CE2 3.93Å; I154-F174 HydrophobicContact CB-CZ 4.04Å; I154-F174 HydrophobicContact CD1-CD2 4.36Å; I154-F174 HydrophobicContact CD1-CE2 3.71Å; I154-F174 HydrophobicContact CG1-CE2 4.42Å; I154-F174 HydrophobicContact CG2-CE2 3.88Å; I154-F174 HydrophobicContact CG2-CZ 3.9Å; L157-F174 HydrophobicContact CD1-CD1 4.19Å; L157-F174 HydrophobicContact CD1-CE1 3.62Å; L157-F174 HydrophobicContact CD1-CZ 4.33Å; I160-F174 HydrophobicContact CD1-CD1 3.8Å; I160-F174 HydrophobicContact CD1-CD2 3.81Å; I160-F174 HydrophobicContact CD1-CE1 3.77Å; I160-F174 HydrophobicContact CD1-CE2 3.76Å; I160-F174 HydrophobicContact CD1-CG 3.83Å; I160-F174 HydrophobicContact CD1-CZ 3.75Å; I160-F174 HydrophobicContact CG1-CD2 4.27Å; I160-F174 HydrophobicContact CG1-CE2 4.02Å; I160-F174 HydrophobicContact CG1-CZ 4.29Å; F172-F174 HydrophobicContact CD1-CB 4.3Å; F172-F174 HydrophobicContact CE1-CB 3.69Å; F172-F174 HydrophobicContact CE1-CD2 4.19Å; F172-F174 HydrophobicContact CE1-CG 4.18Å; F172-F174 HydrophobicContact CZ-CB 4.17Å; F172-F174 AromaticContact CZ-CD2 3.99Å; F172-F174 HydrophobicContact CZ-CD2 3.99Å; F172-F174 HydrophobicContact CZ-CG 4.43Å; F174-N177 HydrophobicContact CD1-CB 4.38Å; F174-N177 HydrophobicContact CE1-CB 3.88Å; F174-N177 HydrophobicContact CE2-CB 4.19Å; F174-N177 HydrophobicContact CZ-CB 3.77Å; F174-N177 PolarHBondContact O-N 3.49Å; F174-N177 PolarHBondContact O-ND2 3.26Å; F174-A179 HydrophobicContact CE1-CB 3.81Å; F174-A179 HydrophobicContact CZ-CB 3.74Å; F174-V180 HydrophobicContact CD1-CG2 3.72Å; F174-V180 HydrophobicContact CE1-CG2 3.71Å; F174-I215 HydrophobicContact CB-CD1 4.15Å; F174-I215 HydrophobicContact CD1-CD1 3.98Å; F174-I215 HydrophobicContact CG-CD1 4.26Å; F174-D226 PolarHBondContact N-OD1 3.43Å | ||
| 175 | E | 78.7 | Confident | 69.2 | Low | 60 Ų | 60 | 50.9 Ų | 50.9 | 28% | 0.28 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | 142.9 | 176.2 | -176.3 | 164.7 | -125.3 | 0 | 0 | 113.3 | H150 Y151 N177 Q208 D226 | H150-E175 CarbonylContact C-O 3.14Å; H150-E175 WeakPolarHBondContact CA-O 3.4Å; H150-E175 HydrophobicContact CB-CB 4.34Å; H150-E175 WeakPolarHBondContact CB-O 3.35Å; Y151-E175 PolarHBondContact N-O 3.21Å; E175-N177 PolarHBondContact O-N 3.42Å; E175-Q208 PolarHBondContact OE1-NE2 3.47Å; E175-D226 HydrophobicContact CB-CB 4.4Å; E175-D226 WeakPolarHBondContact CB-OD1 3.4Å; E175-D226 PolarHBondContact N-OD1 2.63Å |
| 176 | G | 75.6 | Confident | 67.1 | Low | 35 Ų | 35 | 54.9 Ų | 54.9 | 36% | 0.361 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 6.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 177 | N | 76.9 | Confident | 64.9 | Low | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.011 | 33% | 0.329 | C | S | . | . | trans | -83.7 | 147.8 | 169.3 | -77.8 | -90.5 | 0 | 0 | 0 | 112 | L149 N152 I154 F174 E175 A179 V180 | L149-N177 PolarHBondContact O-ND2 3.03Å; N152-N177 WeakPolarHBondContact CA-OD1 3.21Å; N152-N177 WeakPolarHBondContact CB-OD1 3.49Å; N152-N177 PolarHBondContact O-OD1 3.39Å; I154-N177 HydrophobicContact CB-CB 4.25Å; I154-N177 VanDerWaalsContact CB-OD1 3.32Å; I154-N177 WeakPolarHBondContact CB-OD1 3.33Å; I154-N177 WeakPolarHBondContact CG1-OD1 3.46Å; I154-N177 PolarHBondContact N-OD1 3.15Å; F174-N177 HydrophobicContact CD1-CB 4.38Å; F174-N177 HydrophobicContact CE1-CB 3.88Å; F174-N177 HydrophobicContact CE2-CB 4.19Å; F174-N177 HydrophobicContact CZ-CB 3.77Å; F174-N177 PolarHBondContact O-N 3.49Å; F174-N177 PolarHBondContact O-ND2 3.26Å; E175-N177 PolarHBondContact O-N 3.42Å; N177-A179 PolarHBondContact O-N 3.23Å; N177-V180 WeakPolarHBondContact O-CB 3.37Å; N177-V180 PolarHBondContact O-N 3.27Å | ||
| 178 | P | 73.6 | Confident | 62.8 | Low | 41 Ų | 41 | 63.2 Ų | 63.2 | 27% | 0.266 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -54.5 | -34.7 | 178.7 | -25.3 | 31.8 | 0 | 0 | 0 | 114.6 | N152 I154 V180 K181 Q182 | N152-P178 VanDerWaalsContact O-CD 3.31Å; N152-P178 WeakPolarHBondContact O-CD 3.15Å; I154-P178 WeakPolarHBondContact O-CD 3.34Å; P178-V180 PolarHBondContact O-N 3.41Å; P178-K181 WeakPolarHBondContact O-CB 3.04Å; P178-K181 PolarHBondContact O-N 2.69Å; P178-Q182 PolarHBondContact O-N 2.82Å |
| 179 | A | 67.2 | Low | 60.5 | Low | 2 Ų | 2 | 68.1 Ų | 68.1 | 2% | 0.017 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -51.2 | -29.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | I154 D155 L157 F174 N177 K181 | I154-A179 WeakPolarHBondContact O-CB 3.37Å; I154-A179 PolarHBondContact O-N 2.92Å; D155-A179 WeakPolarHBondContact O-CA 3.14Å; D155-A179 WeakPolarHBondContact O-CB 3.45Å; D155-A179 PolarHBondContact O-N 3.28Å; L157-A179 HydrophobicContact CB-CB 4.26Å; L157-A179 HydrophobicContact CD1-CB 4.31Å; F174-A179 HydrophobicContact CE1-CB 3.81Å; F174-A179 HydrophobicContact CZ-CB 3.74Å; N177-A179 PolarHBondContact O-N 3.23Å; A179-K181 VanDerWaalsContact C-N 3.27Å; A179-K181 PolarHBondContact O-N 2.79Å |
| 180 | V | 63 | Low | 57.8 | Low | 19 Ų | 19 | 73.5 Ų | 73.5 | 12% | 0.115 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -73.1 | -23.7 | 178.8 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | F174 N177 P178 Q208 C211 | F174-V180 HydrophobicContact CD1-CG2 3.72Å; F174-V180 HydrophobicContact CE1-CG2 3.71Å; N177-V180 WeakPolarHBondContact O-CB 3.37Å; N177-V180 PolarHBondContact O-N 3.27Å; P178-V180 PolarHBondContact O-N 3.41Å; V180-Q208 HydrophobicContact CG1-CB 4.43Å; V180-Q208 HydrophobicContact CG1-CG 4.14Å; V180-C211 HydrophobicContact CG1-CB 4.2Å |
| 181 | K | 60.1 | Low | 55.2 | Low | 158 Ų | 158 | 77 Ų | 77 | 69% | 0.687 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -26.6 | 179.8 | -60.9 | -176.8 | 179.3 | -179.7 | 0 | 113.5 | P178 A179 L183 | P178-K181 WeakPolarHBondContact O-CB 3.04Å; P178-K181 PolarHBondContact O-N 2.69Å; A179-K181 VanDerWaalsContact C-N 3.27Å; A179-K181 PolarHBondContact O-N 2.79Å; K181-L183 PolarHBondContact O-N 2.71Å |
| 182 | Q | 51.4 | Low | 52.7 | Low | 129 Ų | 129 | 81.4 Ų | 81.4 | 60% | 0.603 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -71.1 | -10.4 | -174.4 | -70.7 | -166.1 | 0.5 | 0 | 0 | 114.9 | D155 P178 I184 | D155-Q182 PolarHBondContact O-OE1 2.65Å; P178-Q182 PolarHBondContact O-N 2.82Å; Q182-I184 PolarHBondContact O-N 3.02Å |
| 183 | L | 46.8 | Very low | 50 | Low | 70 Ų | 70 | 86 Ų | 86 | 37% | 0.366 | 49% | 0.487 | S | S | . | . | trans | -79 | 33.8 | 176.7 | -89.9 | 165.9 | 0 | 0 | 0 | 114.2 | L157 K181 T207 C211 | L157-L183 HydrophobicContact CD2-CD1 3.73Å; K181-L183 PolarHBondContact O-N 2.71Å; L183-T207 WeakPolarHBondContact O-CG2 3.24Å; L183-C211 VanDerWaalsContact CD1-SG 3.6Å | ||
| 184 | I | 33.4 | Very low | 47.6 | Very low | 136 Ų | 136 | 93.1 Ų | 93.1 | 70% | 0.697 | 53% | 0.526 | S | S | * | . | trans | -70.2 | 141.5 | 169.6 | -69.5 | 171.3 | 0 | 0 | 0 | 109.4 | Q182 | Q182-I184 PolarHBondContact O-N 3.02Š| ||
| 185 | I | 31.4 | Very low | 45 | Very low | 93 Ų | 93 | 101.6 Ų | 101.6 | 48% | 0.477 | 57% | 0.565 | S | S | . | * | trans | -93.7 | 109.4 | -159.1 | -60.6 | 174.1 | 0 | 0 | 0 | 111.3 | T187 | I185-T187 HydrophobicContact CG2-CG2 3.48Å; I185-T187 VanDerWaalsContact CG2-CG2 3.48Å; I185-T187 WeakPolarHBondContact CG2-OG1 2.54Å; I185-T187 PolarHBondContact O-N 2.83Å | ||
| 186 | N | 29 | Very low | 42.9 | Very low | 165 Ų | 165 | 103.2 Ų | 103.2 | 88% | 0.882 | 59% | 0.589 | S | S | * | * | trans | -88 | 71.3 | 164 | -81.5 | 0.1 | 0 | 0 | 0 | 110.9 | ||||
| 187 | T | 32 | Very low | 41.1 | Very low | 108 Ų | 108 | 107.7 Ų | 107.7 | 66% | 0.663 | 61% | 0.609 | S | S | * | * | trans | -111.9 | 44.9 | 170.4 | 60.8 | 0 | 0 | 0 | 0 | 112 | I185 | I185-T187 HydrophobicContact CG2-CG2 3.48Å; I185-T187 VanDerWaalsContact CG2-CG2 3.48Å; I185-T187 WeakPolarHBondContact CG2-OG1 2.54Å; I185-T187 PolarHBondContact O-N 2.83Å | ||
| 188 | H | 27.3 | Very low | 39.2 | Very low | 169 Ų | 169 | 114.5 Ų | 114.5 | 78% | 0.782 | 65% | 0.65 | S | S | * | * | trans | -140.2 | 94.7 | 170.9 | -74.7 | -70.9 | 0 | 0 | 0 | 110.2 | ||||
| 189 | N | 28.7 | Very low | 37.2 | Very low | 176 Ų | 176 | 121.6 Ų | 121.6 | 94% | 0.941 | 68% | 0.677 | S | S | * | * | trans | -164.2 | 125.9 | 140.8 | -100.2 | -16.9 | 0 | 0 | 0 | 108.9 | ||||
| 190 | S | 25.6 | Very low | 35.4 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | trans | -137.4 | 122.2 | -166 | 52.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 191 | S | 28.3 | Very low | 33.9 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -178.5 | 95.3 | 157.8 | 52.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 192 | S | 29.7 | Very low | 32.6 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 169.9 | 135.7 | 134.4 | 57.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 193 | S | 28.7 | Very low | 31.9 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | 48.8 | 92.4 | 164.5 | 59.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 194 | D | 30.6 | Very low | 31.6 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | 88.8 | 110.5 | 123.1 | -47.7 | -27.2 | 0 | 0 | 0 | 122.4 | |||||
| 195 | E | 26.8 | Very low | 32.3 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | 49.8 | 91.7 | 140.9 | -51.4 | -155 | 142.9 | 0 | 0 | 118.7 | ||||
| 196 | A | 35.5 | Very low | 33.4 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | cis | 82 | 24 | 24.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 197 | V | 37.4 | Very low | 34.5 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 78% | 0.782 | 73% | 0.73 | S | S | * | * | trans | -123.9 | 53.5 | 163.5 | -159.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 198 | V | 36.3 | Very low | 35.6 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | trans | -135.3 | 76.5 | 148.5 | -171.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 199 | K | 33.2 | Very low | 37.3 | Very low | 191 Ų | 191 | 124.5 Ų | 124.5 | 83% | 0.83 | 70% | 0.697 | S | S | * | * | trans | -94.6 | 109.3 | 163.8 | -82.3 | -179.8 | 178.2 | 169.9 | 0 | 109.1 | ||||
| 200 | N | 29.2 | Very low | 39.1 | Very low | 147 Ų | 147 | 117 Ų | 117 | 79% | 0.786 | 66% | 0.657 | S | S | * | * | trans | -150.9 | 118.2 | 149 | -102.4 | -28.8 | 0 | 0 | 0 | 111.3 | ||||
| 201 | T | 29.8 | Very low | 40.8 | Very low | 126 Ų | 126 | 111.8 Ų | 111.8 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | trans | 34.3 | 84.9 | 154.1 | 53.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 202 | I | 33.3 | Very low | 43.1 | Very low | 136 Ų | 136 | 107.6 Ų | 107.6 | 70% | 0.697 | 59% | 0.586 | S | S | * | * | trans | -83.5 | 121.3 | 138.5 | -62.3 | 177.2 | 0 | 0 | 0 | 106.2 | R241 | I202-R241 VanDerWaalsContact CG2-NH1 3.34Š| ||
| 203 | E | 38 | Very low | 45.2 | Very low | 138 Ų | 138 | 102.7 Ų | 102.7 | 65% | 0.645 | 55% | 0.551 | S | S | * | * | trans | -61.8 | 147.4 | -178.5 | -63 | -179.7 | 124.7 | 0 | 0 | 112.2 | F205 | E203-F205 VanDerWaalsContact C-N 3.27Å; E203-F205 HydrophobicContact CB-CD2 4.22Å; E203-F205 HydrophobicContact CB-CE2 3.79Å; E203-F205 HydrophobicContact CB-CZ 4.25Å; E203-F205 VanDerWaalsContact O-CD2 3.26Å; E203-F205 WeakPolarHBondContact O-CD2 3.4Å; E203-F205 PolarHBondContact O-N 2.64Å | ||
| 204 | K | 40.4 | Very low | 47.4 | Very low | 211 Ų | 211 | 99.6 Ų | 99.6 | 92% | 0.917 | 53% | 0.526 | S | S | * | . | trans | -76.1 | 76.1 | 175.8 | -68.4 | -175.8 | 178.5 | -178.2 | 0 | 110.5 | D206 | K204-D206 PolarHBondContact O-N 2.66Š| ||
| 205 | F | 47.3 | Very low | 49.4 | Very low | 47 Ų | 47 | 92.4 Ų | 92.4 | 21% | 0.206 | 49% | 0.487 | C | S | . | . | trans | -66.7 | 122.6 | 168.5 | -66 | -85.3 | 0 | 0 | 0 | 110 | E203 L210 I213 V237 R241 | E203-F205 VanDerWaalsContact C-N 3.27Å; E203-F205 HydrophobicContact CB-CD2 4.22Å; E203-F205 HydrophobicContact CB-CE2 3.79Å; E203-F205 HydrophobicContact CB-CZ 4.25Å; E203-F205 VanDerWaalsContact O-CD2 3.26Å; E203-F205 WeakPolarHBondContact O-CD2 3.4Å; E203-F205 PolarHBondContact O-N 2.64Å; F205-L210 HydrophobicContact CB-CD2 3.65Å; F205-L210 HydrophobicContact CB-CG 3.85Å; F205-L210 HydrophobicContact CG-CD2 4.28Å; F205-I213 HydrophobicContact CD1-CD1 3.47Å; F205-I213 VanDerWaalsContact CD1-CD1 3.47Å; F205-I213 HydrophobicContact CE1-CD1 3.62Å; F205-I213 HydrophobicContact CG-CD1 4.2Å; F205-I213 HydrophobicContact CZ-CD1 4.43Å; F205-V237 HydrophobicContact CE1-CG1 4.06Å; F205-V237 HydrophobicContact CZ-CG1 3.8Å; F205-R241 VanDerWaalsContact CD2-NH1 3.27Å | ||
| 206 | D | 54.1 | Low | 51.9 | Low | 121 Ų | 121 | 84.2 Ų | 84.2 | 65% | 0.647 | 45% | 0.449 | S | S | * | . | trans | -53.1 | 152.9 | 167.5 | -79.8 | -45.3 | 0 | 0 | 0 | 111.5 | K204 Q208 S209 L210 | K204-D206 PolarHBondContact O-N 2.66Å; D206-Q208 PolarHBondContact O-N 2.69Å; D206-S209 CarbonylContact O-C 3.59Å; D206-S209 WeakPolarHBondContact O-CA 2.91Å; D206-S209 WeakPolarHBondContact O-CB 3.28Å; D206-S209 PolarHBondContact O-N 2.63Å; D206-L210 PolarHBondContact O-N 2.83Å | ||
| 207 | T | 51.6 | Low | 53.8 | Low | 48 Ų | 48 | 81.5 Ų | 81.5 | 29% | 0.294 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.7 | -37.8 | -179.8 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | L183 L210 C211 | L183-T207 WeakPolarHBondContact O-CG2 3.24Å; T207-L210 PolarHBondContact O-N 3.05Å; T207-C211 PolarHBondContact O-N 3.03Å; T207-C211 PolarHBondContact O-SG 2.74Å |
| 208 | Q | 55.1 | Low | 55.4 | Low | 89 Ų | 89 | 76.3 Ų | 76.3 | 42% | 0.416 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.6 | -36 | 173.9 | -170.1 | 172.3 | 4.9 | 0 | 0 | 112.5 | E175 V180 D206 C211 R212 | E175-Q208 PolarHBondContact OE1-NE2 3.47Å; V180-Q208 HydrophobicContact CG1-CB 4.43Å; V180-Q208 HydrophobicContact CG1-CG 4.14Å; D206-Q208 PolarHBondContact O-N 2.69Å; Q208-C211 WeakPolarHBondContact O-CB 2.98Å; Q208-C211 PolarHBondContact O-N 2.6Å; Q208-R212 PolarHBondContact O-N 2.7Å |
| 209 | S | 64.4 | Low | 57.3 | Low | 47 Ų | 47 | 69.6 Ų | 69.6 | 33% | 0.329 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 173.7 | -62 | 0 | 0 | 0 | 0 | 111.5 | D206 C211 R212 I213 | D206-S209 CarbonylContact O-C 3.59Å; D206-S209 WeakPolarHBondContact O-CA 2.91Å; D206-S209 WeakPolarHBondContact O-CB 3.28Å; D206-S209 PolarHBondContact O-N 2.63Å; S209-C211 VanDerWaalsContact C-N 3.33Å; S209-C211 PolarHBondContact O-N 3.35Å; S209-R212 PolarHBondContact O-N 3.47Å; S209-I213 WeakPolarHBondContact O-CB 3.43Å; S209-I213 WeakPolarHBondContact O-CD1 3.43Å; S209-I213 WeakPolarHBondContact O-CG1 3.31Å; S209-I213 PolarHBondContact O-N 3.31Å |
| 210 | L | 65.9 | Low | 59 | Low | 19 Ų | 19 | 64.2 Ų | 64.2 | 10% | 0.099 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 172.5 | -67.4 | 175.8 | 0 | 0 | 0 | 111.9 | F205 D206 T207 I213 F214 R241 | F205-L210 HydrophobicContact CB-CD2 3.65Å; F205-L210 HydrophobicContact CB-CG 3.85Å; F205-L210 HydrophobicContact CG-CD2 4.28Å; D206-L210 PolarHBondContact O-N 2.83Å; T207-L210 PolarHBondContact O-N 3.05Å; L210-I213 PolarHBondContact O-N 2.73Å; L210-F214 WeakPolarHBondContact O-CB 3.12Å; L210-F214 PolarHBondContact O-N 2.79Å; L210-R241 VanDerWaalsContact CD2-NE 3.29Å |
| 211 | C | 62.3 | Low | 61 | Low | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.02 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.8 | -48 | 173.6 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | L157 V180 L183 T207 Q208 S209 I213 F214 I215 | L157-C211 HydrophobicContact CD1-CB 4.38Å; L157-C211 HydrophobicContact CD2-CB 4.32Å; V180-C211 HydrophobicContact CG1-CB 4.2Å; L183-C211 VanDerWaalsContact CD1-SG 3.6Å; T207-C211 PolarHBondContact O-N 3.03Å; T207-C211 PolarHBondContact O-SG 2.74Å; Q208-C211 WeakPolarHBondContact O-CB 2.98Å; Q208-C211 PolarHBondContact O-N 2.6Å; S209-C211 VanDerWaalsContact C-N 3.33Å; S209-C211 PolarHBondContact O-N 3.35Å; C211-I213 PolarHBondContact O-N 2.76Å; C211-F214 PolarHBondContact O-N 3.05Å; C211-I215 VanDerWaalsContact O-CG1 3.26Å; C211-I215 WeakPolarHBondContact O-CG1 3.2Å; C211-I215 PolarHBondContact O-N 3.02Å |
| 212 | R | 75.5 | Confident | 63.2 | Low | 29 Ų | 29 | 53.1 Ų | 53.1 | 11% | 0.109 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.9 | -47.8 | 178.8 | -175.6 | 178.2 | 171.1 | 75.2 | 4.3 | 111.6 | Q208 S209 F214 I215 I216 L225 E229 E234 | Q208-R212 PolarHBondContact O-N 2.7Å; S209-R212 PolarHBondContact O-N 3.47Å; R212-F214 PolarHBondContact O-N 2.69Å; R212-I215 PolarHBondContact O-N 3.05Å; R212-I216 HydrophobicContact CG-CD1 3.91Å; R212-I216 VanDerWaalsContact O-CG1 3.27Å; R212-I216 WeakPolarHBondContact O-CG1 3.43Å; R212-I216 PolarHBondContact O-N 2.76Å; R212-L225 HydrophobicContact CG-CD2 3.76Å; R212-L225 PolarHBondContact NH1-O 2.88Å; R212-E229 PolarHBondContact NH2-O 3.47Å; R212-E234 IonicContact CZ-OE1 2.63Å; R212-E234 IonicContact CZ-OE2 2.85Å; R212-E234 IonicContact NE-OE1 3.83Å; R212-E234 PolarHBondContact NE-OE1 3.31Å; R212-E234 IonicContact NE-OE2 2.71Å; R212-E234 IonicContact NH2-OE1 3.77Å; R212-E234 PolarHBondContact NH2-OE1 2.65Å; R212-E234 IonicContact NH2-OE2 3.62Å; R212-E234 PolarHBondContact NH2-OE2 2.72Å |
| 213 | I | 73.6 | Confident | 65.4 | Low | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.051 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 179.5 | -65.8 | 166.5 | 0 | 0 | 0 | 110.8 | F205 S209 L210 C211 I215 I216 F217 V237 A238 F242 | F205-I213 HydrophobicContact CD1-CD1 3.47Å; F205-I213 VanDerWaalsContact CD1-CD1 3.47Å; F205-I213 HydrophobicContact CE1-CD1 3.62Å; F205-I213 HydrophobicContact CG-CD1 4.2Å; F205-I213 HydrophobicContact CZ-CD1 4.43Å; S209-I213 WeakPolarHBondContact O-CB 3.43Å; S209-I213 WeakPolarHBondContact O-CD1 3.43Å; S209-I213 WeakPolarHBondContact O-CG1 3.31Å; S209-I213 PolarHBondContact O-N 3.31Å; L210-I213 PolarHBondContact O-N 2.73Å; C211-I213 PolarHBondContact O-N 2.76Å; I213-I215 PolarHBondContact O-N 2.93Å; I213-I216 PolarHBondContact O-N 2.8Å; I213-F217 PolarHBondContact O-N 2.66Å; I213-V237 HydrophobicContact CD1-CG1 4.05Å; I213-A238 HydrophobicContact CG2-CB 3.62Å; I213-A238 VanDerWaalsContact O-CB 3.3Å; I213-A238 WeakPolarHBondContact O-CB 3.41Å; I213-F242 HydrophobicContact CB-CE2 4.21Å; I213-F242 HydrophobicContact CG2-CD2 3.91Å; I213-F242 HydrophobicContact CG2-CE2 3.66Å |
| 214 | F | 75.7 | Confident | 67.4 | Low | 31 Ų | 31 | 47.1 Ų | 47.1 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | 175.8 | 178.4 | -88.9 | 0 | 0 | 0 | 112.7 | L157 T161 L210 C211 R212 F217 H218 F242 | L157-F214 HydrophobicContact CB-CE1 4.31Å; L157-F214 HydrophobicContact CD2-CB 3.89Å; L157-F214 HydrophobicContact CD2-CD1 3.29Å; L157-F214 HydrophobicContact CD2-CD2 4.41Å; L157-F214 HydrophobicContact CD2-CE1 3.84Å; L157-F214 HydrophobicContact CD2-CG 3.62Å; L157-F214 HydrophobicContact CG-CD1 3.55Å; L157-F214 HydrophobicContact CG-CE1 3.71Å; L157-F214 HydrophobicContact CG-CG 4.37Å; T161-F214 HydrophobicContact CG2-CZ 4.28Å; L210-F214 WeakPolarHBondContact O-CB 3.12Å; L210-F214 PolarHBondContact O-N 2.79Å; C211-F214 PolarHBondContact O-N 3.05Å; R212-F214 PolarHBondContact O-N 2.69Å; F214-F217 PolarHBondContact O-N 2.81Å; F214-H218 AromaticContact CD1-CD2 3.86Å; F214-H218 AromaticContact CD2-CD2 3.91Å; F214-H218 AromaticContact CD2-NE2 3.9Å; F214-H218 AromaticContact CE1-CD2 3.53Å; F214-H218 AromaticContact CE2-CD2 3.57Å; F214-H218 AromaticContact CE2-NE2 3.32Å; F214-H218 VanDerWaalsContact CE2-NE2 3.32Å; F214-H218 WeakPolarHBondContact CE2-NE2 3.31Å; F214-H218 AromaticContact CZ-CD2 3.37Å; F214-H218 WeakPolarHBondContact CZ-CD2 3.47Å; F214-H218 AromaticContact CZ-NE2 3.44Å; F214-H218 WeakPolarHBondContact CZ-NE2 3.26Å; F214-H218 PolarHBondContact O-CD2 2.69Å; F214-H218 PolarHBondContact O-N 2.75Å; F214-H218 VanDerWaalsContact O-N 3.17Å; F214-F242 VanDerWaalsContact CA-CE2 3.46Å; F214-F242 HydrophobicContact CB-CE1 4.48Å; F214-F242 HydrophobicContact CB-CE2 3.8Å; F214-F242 HydrophobicContact CB-CZ 3.73Å; F214-F242 HydrophobicContact CD2-CD1 4.28Å; F214-F242 AromaticContact CD2-CE1 3.77Å; F214-F242 HydrophobicContact CD2-CE1 3.77Å; F214-F242 HydrophobicContact CD2-CE2 4.47Å; F214-F242 AromaticContact CD2-CZ 3.88Å; F214-F242 HydrophobicContact CD2-CZ 3.88Å; F214-F242 HydrophobicContact CG-CZ 4.32Å |
| 215 | I | 72.4 | Confident | 69.3 | Low | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.5 | -42.2 | 178.2 | -64.5 | 169.3 | 0 | 0 | 0 | 110.7 | L157 I160 F172 F174 C211 R212 I213 F217 H218 L219 L222 L225 | L157-I215 HydrophobicContact CD1-CD1 4.33Å; L157-I215 HydrophobicContact CD1-CG1 4.42Å; I160-I215 HydrophobicContact CD1-CD1 3.67Å; I160-I215 HydrophobicContact CD1-CG1 3.57Å; I160-I215 HydrophobicContact CG2-CG1 4.34Å; I160-I215 HydrophobicContact CG2-CG2 4.25Å; F172-I215 HydrophobicContact CD1-CG2 3.84Å; F172-I215 HydrophobicContact CE1-CG2 4.06Å; F174-I215 HydrophobicContact CB-CD1 4.15Å; F174-I215 HydrophobicContact CD1-CD1 3.98Å; F174-I215 HydrophobicContact CG-CD1 4.26Å; C211-I215 VanDerWaalsContact O-CG1 3.26Å; C211-I215 WeakPolarHBondContact O-CG1 3.2Å; C211-I215 PolarHBondContact O-N 3.02Å; R212-I215 PolarHBondContact O-N 3.05Å; I213-I215 PolarHBondContact O-N 2.93Å; I215-F217 VanDerWaalsContact C-N 3.35Å; I215-F217 PolarHBondContact O-N 2.69Å; I215-H218 PolarHBondContact O-N 3.3Å; I215-L219 HydrophobicContact CG2-CD1 4.13Å; I215-L219 WeakPolarHBondContact O-CB 3.02Å; I215-L219 PolarHBondContact O-N 2.64Å; I215-L222 HydrophobicContact CG2-CD1 3.95Å; I215-L225 HydrophobicContact CB-CD2 3.84Å; I215-L225 HydrophobicContact CD1-CD1 4.42Å; I215-L225 HydrophobicContact CG2-CD1 3.72Å; I215-L225 HydrophobicContact CG2-CD2 3.7Å; I215-L225 HydrophobicContact CG2-CG 4.39Å |
| 216 | I | 78.4 | Confident | 70.7 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 176.7 | -69.5 | 167.6 | 0 | 0 | 0 | 111.2 | R212 I213 L225 V230 E234 R235 A238 | R212-I216 HydrophobicContact CG-CD1 3.91Å; R212-I216 VanDerWaalsContact O-CG1 3.27Å; R212-I216 WeakPolarHBondContact O-CG1 3.43Å; R212-I216 PolarHBondContact O-N 2.76Å; I213-I216 PolarHBondContact O-N 2.8Å; I216-L225 HydrophobicContact CD1-CD2 4.19Å; I216-L225 HydrophobicContact CG1-CD2 3.7Å; I216-V230 HydrophobicContact CB-CG1 4.46Å; I216-V230 HydrophobicContact CD1-CG1 3.99Å; I216-V230 HydrophobicContact CD1-CG2 4.41Å; I216-V230 HydrophobicContact CG1-CG1 3.86Å; I216-V230 HydrophobicContact CG1-CG2 4.17Å; I216-V230 HydrophobicContact CG2-CG1 3.81Å; I216-E234 HydrophobicContact CD1-CB 3.77Å; I216-R235 HydrophobicContact CG2-CB 4.28Å; I216-R235 HydrophobicContact CG2-CG 3.76Å; I216-A238 HydrophobicContact CB-CB 4.24Å; I216-A238 HydrophobicContact CG2-CB 3.97Å |
| 217 | F | 75.5 | Confident | 71.7 | Confident | 37 Ų | 37 | 35.1 Ų | 35.1 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -49.2 | 176.8 | -176.3 | -111.1 | 0 | 0 | 0 | 112.2 | I213 F214 I215 C220 A238 F242 E246 | I213-F217 PolarHBondContact O-N 2.66Å; F214-F217 PolarHBondContact O-N 2.81Å; I215-F217 VanDerWaalsContact C-N 3.35Å; I215-F217 PolarHBondContact O-N 2.69Å; F217-C220 PolarHBondContact O-SG 3.19Å; F217-A238 HydrophobicContact CB-CB 4.05Å; F217-A238 WeakPolarHBondContact CD2-O 3.36Å; F217-F242 HydrophobicContact CB-CB 4.15Å; F217-F242 HydrophobicContact CB-CD2 4.14Å; F217-F242 HydrophobicContact CB-CG 4.4Å; F217-F242 HydrophobicContact CD1-CB 3.56Å; F217-F242 HydrophobicContact CD1-CG 4.28Å; F217-F242 HydrophobicContact CD2-CB 3.81Å; F217-F242 HydrophobicContact CE1-CB 3.81Å; F217-F242 HydrophobicContact CE2-CB 4.03Å; F217-F242 HydrophobicContact CG-CB 3.56Å; F217-F242 HydrophobicContact CG-CD2 4.48Å; F217-F242 HydrophobicContact CG-CG 4.28Å; F217-F242 HydrophobicContact CZ-CB 4.03Å; F217-E246 VanDerWaalsContact CE1-OE2 3.23Å; F217-E246 WeakPolarHBondContact CE1-OE2 3.15Å; F217-E246 VanDerWaalsContact CZ-OE2 3.29Å; F217-E246 WeakPolarHBondContact CZ-OE2 3.41Å |
| 218 | H | 71.8 | Confident | 72.9 | Confident | 19 Ų | 19 | 38.6 Ų | 38.6 | 9% | 0.088 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -80.4 | -19.9 | -174.8 | -72.2 | -53.5 | 0 | 0 | 0 | 114.7 | R164 F214 I215 | R164-H218 WeakPolarHBondContact CB-O 3.3Å; R164-H218 WeakPolarHBondContact CG-O 3.4Å; F214-H218 AromaticContact CD1-CD2 3.86Å; F214-H218 AromaticContact CD2-CD2 3.91Å; F214-H218 AromaticContact CD2-NE2 3.9Å; F214-H218 AromaticContact CE1-CD2 3.53Å; F214-H218 AromaticContact CE2-CD2 3.57Å; F214-H218 AromaticContact CE2-NE2 3.32Å; F214-H218 VanDerWaalsContact CE2-NE2 3.32Å; F214-H218 WeakPolarHBondContact CE2-NE2 3.31Å; F214-H218 AromaticContact CZ-CD2 3.37Å; F214-H218 WeakPolarHBondContact CZ-CD2 3.47Å; F214-H218 AromaticContact CZ-NE2 3.44Å; F214-H218 WeakPolarHBondContact CZ-NE2 3.26Å; F214-H218 PolarHBondContact O-CD2 2.69Å; F214-H218 PolarHBondContact O-N 2.75Å; F214-H218 VanDerWaalsContact O-N 3.17Å; I215-H218 PolarHBondContact O-N 3.3Å |
| 219 | L | 75.2 | Confident | 73.9 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | trans | -120.7 | 66.6 | -179.3 | -55.5 | -177 | 0 | 0 | 0 | 111.4 | I160 L163 R164 L169 F172 I215 S221 L222 | I160-L219 HydrophobicContact CG2-CD1 3.59Å; I160-L219 HydrophobicContact CG2-CG 4.07Å; L163-L219 HydrophobicContact CB-CD1 4.27Å; L163-L219 HydrophobicContact CB-CD2 3.67Å; R164-L219 HydrophobicContact CB-CD2 4.49Å; L169-L219 HydrophobicContact CD2-CD1 4.1Å; F172-L219 HydrophobicContact CD1-CD1 4.09Å; F172-L219 HydrophobicContact CE1-CD1 4.27Å; F172-L219 HydrophobicContact CG-CD1 4.39Å; I215-L219 HydrophobicContact CG2-CD1 4.13Å; I215-L219 WeakPolarHBondContact O-CB 3.02Å; I215-L219 PolarHBondContact O-N 2.64Å; L219-S221 PolarHBondContact O-N 2.88Å; L219-L222 HydrophobicContact CB-CD1 3.65Å; L219-L222 HydrophobicContact CB-CG 3.71Å; L219-L222 HydrophobicContact CD1-CD1 3.95Å; L219-L222 HydrophobicContact CD1-CG 4.47Å; L219-L222 HydrophobicContact CG-CD1 4.42Å; L219-L222 WeakPolarHBondContact O-CB 3.33Å; L219-L222 WeakPolarHBondContact O-CG 3.44Å; L219-L222 PolarHBondContact O-N 3.28Å | ||
| 220 | C | 69.7 | Low | 74.5 | Confident | 79 Ų | 79 | 36.6 Ų | 36.6 | 53% | 0.534 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.3 | -171.7 | -36.3 | 0 | 0 | 0 | 0 | 114.7 | F217 L222 R235 | F217-C220 PolarHBondContact O-SG 3.19Å; C220-L222 VanDerWaalsContact C-N 3.34Å; C220-R235 PolarHBondContact O-NH2 3.01Å |
| 221 | S | 70 | Confident | 75 | Confident | 38 Ų | 38 | 39 Ų | 39 | 27% | 0.266 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -12.8 | 176.7 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | L169 L219 I223 | L169-S221 CarbonylContact O-C 3.57Å; L169-S221 WeakPolarHBondContact O-CB 3.41Å; L169-S221 PolarHBondContact O-OG 2.84Å; L219-S221 PolarHBondContact O-N 2.88Å; S221-I223 PolarHBondContact O-N 2.87Å |
| 222 | L | 76.9 | Confident | 75.5 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -65.1 | 129.6 | -175.8 | -68.4 | -178.7 | 0 | 0 | 0 | 112.8 | L169 F172 I215 L219 C220 L225 V230 R235 | L169-L222 HydrophobicContact CD2-CD2 4.11Å; L169-L222 HydrophobicContact CG-CD2 3.83Å; F172-L222 HydrophobicContact CB-CD1 3.89Å; F172-L222 HydrophobicContact CB-CD2 3.5Å; F172-L222 HydrophobicContact CB-CG 4.38Å; F172-L222 HydrophobicContact CD1-CD1 4.44Å; I215-L222 HydrophobicContact CG2-CD1 3.95Å; L219-L222 HydrophobicContact CB-CD1 3.65Å; L219-L222 HydrophobicContact CB-CG 3.71Å; L219-L222 HydrophobicContact CD1-CD1 3.95Å; L219-L222 HydrophobicContact CD1-CG 4.47Å; L219-L222 HydrophobicContact CG-CD1 4.42Å; L219-L222 WeakPolarHBondContact O-CB 3.33Å; L219-L222 WeakPolarHBondContact O-CG 3.44Å; L219-L222 PolarHBondContact O-N 3.28Å; C220-L222 VanDerWaalsContact C-N 3.34Å; L222-L225 HydrophobicContact CD1-CB 4.46Å; L222-L225 HydrophobicContact CD1-CD1 4.39Å; L222-V230 HydrophobicContact CB-CG2 4Å; L222-V230 WeakPolarHBondContact O-CB 3.44Å; L222-R235 PolarHBondContact O-NH2 2.75Å | ||
| 223 | I | 79.1 | Confident | 75.4 | Confident | 87 Ų | 87 | 46.1 Ų | 46.1 | 45% | 0.446 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -100.3 | -33.7 | 171.3 | -54.3 | 179.5 | 0 | 0 | 0 | 109.6 | T170 S221 E229 V230 | T170-I223 HydrophobicContact CG2-CD1 3.72Å; T170-I223 HydrophobicContact CG2-CG1 4.12Å; T170-I223 WeakPolarHBondContact O-CA 3.33Å; T170-I223 PolarHBondContact O-N 3.4Å; S221-I223 PolarHBondContact O-N 2.87Å; I223-E229 CarbonylContact O-C 3.22Å; I223-E229 WeakPolarHBondContact O-CA 3.2Å; I223-V230 PolarHBondContact O-N 2.67Å |
| 224 | L | 79.7 | Confident | 75.3 | Confident | 62 Ų | 62 | 47 Ų | 47 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 127.2 | 179.4 | -76.3 | 157.6 | 0 | 0 | 0 | 110.2 | T170 V171 F172 | T170-L224 PolarHBondContact O-N 3.39Å; V171-L224 WeakPolarHBondContact CA-O 3.11Å; V171-L224 HydrophobicContact CB-CB 4.36Å; V171-L224 HydrophobicContact CG1-CB 3.99Å; V171-L224 HydrophobicContact CG2-CB 4.16Å; V171-L224 HydrophobicContact CG2-CD1 3.97Å; F172-L224 PolarHBondContact N-O 2.64Å |
| 225 | L | 81.4 | Confident | 75.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.8 | 173.9 | 175.5 | 57.7 | 0 | 0 | 0 | 109.2 | F172 R212 I215 I216 L222 N227 K228 V230 | F172-L225 HydrophobicContact CB-CD1 4.39Å; F172-L225 HydrophobicContact CD1-CD1 3.82Å; F172-L225 CarbonylContact O-C 2.8Å; F172-L225 VanDerWaalsContact O-CA 3.26Å; F172-L225 WeakPolarHBondContact O-CA 3.33Å; R212-L225 HydrophobicContact CG-CD2 3.76Å; R212-L225 PolarHBondContact NH1-O 2.88Å; I215-L225 HydrophobicContact CB-CD2 3.84Å; I215-L225 HydrophobicContact CD1-CD1 4.42Å; I215-L225 HydrophobicContact CG2-CD1 3.72Å; I215-L225 HydrophobicContact CG2-CD2 3.7Å; I215-L225 HydrophobicContact CG2-CG 4.39Å; I216-L225 HydrophobicContact CD1-CD2 4.19Å; I216-L225 HydrophobicContact CG1-CD2 3.7Å; L222-L225 HydrophobicContact CD1-CB 4.46Å; L222-L225 HydrophobicContact CD1-CD1 4.39Å; L225-N227 PolarHBondContact O-N 2.8Å; L225-K228 PolarHBondContact N-O 2.9Å; L225-K228 PolarHBondContact O-N 3.28Å; L225-V230 HydrophobicContact CB-CG2 3.63Å |
| 226 | D | 77.4 | Confident | 75 | Confident | 20 Ų | 20 | 54 Ų | 54 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 43.2 | -177.2 | -61.8 | -48.6 | 0 | 0 | 0 | 112.3 | F172 T173 F174 E175 K228 | F172-D226 PolarHBondContact O-N 3.36Å; T173-D226 VanDerWaalsContact CA-OD1 3.22Å; T173-D226 WeakPolarHBondContact CA-OD1 3.45Å; F174-D226 PolarHBondContact N-OD1 3.43Å; E175-D226 HydrophobicContact CB-CB 4.4Å; E175-D226 WeakPolarHBondContact CB-OD1 3.4Å; E175-D226 PolarHBondContact N-OD1 2.63Å; D226-K228 PolarHBondContact O-N 3.22Å |
| 227 | N | 74.3 | Confident | 74.6 | Confident | 107 Ų | 107 | 55.3 Ų | 55.3 | 57% | 0.572 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 6.2 | -174.9 | -50.8 | -45.9 | 0 | 0 | 0 | 115.5 | L225 | L225-N227 PolarHBondContact O-N 2.8Š|
| 228 | K | 76.6 | Confident | 74.1 | Confident | 120 Ų | 120 | 53.6 Ų | 53.6 | 52% | 0.522 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 135 | 173.7 | -62.2 | 166.5 | -176.5 | 170.5 | 0 | 109.4 | L225 D226 V230 | L225-K228 PolarHBondContact N-O 2.9Å; L225-K228 PolarHBondContact O-N 3.28Å; D226-K228 PolarHBondContact O-N 3.22Å; K228-V230 PolarHBondContact O-N 2.71Å |
| 229 | E | 75.7 | Confident | 73.8 | Confident | 87 Ų | 87 | 57 Ų | 57 | 41% | 0.407 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 137.1 | 175.4 | -169.6 | 173.7 | -176.3 | 0 | 0 | 109.3 | R212 I223 L231 R1313 | R212-E229 PolarHBondContact NH2-O 3.47Å; I223-E229 CarbonylContact O-C 3.22Å; I223-E229 WeakPolarHBondContact O-CA 3.2Å; E229-L231 HydrophobicContact CB-CD2 4.35Å; E229-L231 HydrophobicContact CG-CD2 4.32Å; E229-L231 PolarHBondContact O-N 3.17Å; E229-L231 VanDerWaalsContact O-N 3.15Å; E229-R1313 IonicContact OE1-NH2 3.42Å; E229-R1313 PolarHBondContact OE1-NH2 3.5Å |
| 230 | V | 77.3 | Confident | 73.2 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.042 | 31% | 0.31 | C | S | . | . | trans | -78.9 | 94.5 | 174.5 | 172.5 | 0 | 0 | 0 | 0 | 106.9 | I216 L222 I223 L225 K228 R235 | I216-V230 HydrophobicContact CB-CG1 4.46Å; I216-V230 HydrophobicContact CD1-CG1 3.99Å; I216-V230 HydrophobicContact CD1-CG2 4.41Å; I216-V230 HydrophobicContact CG1-CG1 3.86Å; I216-V230 HydrophobicContact CG1-CG2 4.17Å; I216-V230 HydrophobicContact CG2-CG1 3.81Å; L222-V230 HydrophobicContact CB-CG2 4Å; L222-V230 WeakPolarHBondContact O-CB 3.44Å; I223-V230 PolarHBondContact O-N 2.67Å; L225-V230 HydrophobicContact CB-CG2 3.63Å; K228-V230 PolarHBondContact O-N 2.71Å; V230-R235 HydrophobicContact CG1-CG 3.76Å | ||
| 231 | L | 77.1 | Confident | 72.9 | Confident | 70 Ų | 70 | 61.4 Ų | 61.4 | 37% | 0.366 | 30% | 0.298 | S | S | . | . | trans | -72 | 141.6 | -171.8 | -66.2 | 172.1 | 0 | 0 | 0 | 109.7 | E229 F233 E234 R235 | E229-L231 HydrophobicContact CB-CD2 4.35Å; E229-L231 HydrophobicContact CG-CD2 4.32Å; E229-L231 PolarHBondContact O-N 3.17Å; E229-L231 VanDerWaalsContact O-N 3.15Å; L231-F233 HydrophobicContact CB-CD1 3.78Å; L231-F233 HydrophobicContact CB-CE1 3.76Å; L231-F233 HydrophobicContact CD1-CD1 4.37Å; L231-F233 HydrophobicContact CD1-CE1 3.64Å; L231-F233 HydrophobicContact CD1-CZ 4.48Å; L231-F233 HydrophobicContact CG-CE1 4.35Å; L231-F233 PolarHBondContact O-N 3.04Å; L231-E234 HydrophobicContact CB-CG 4.13Å; L231-E234 PolarHBondContact N-OE2 3.34Å; L231-E234 WeakPolarHBondContact O-CA 3.45Å; L231-E234 WeakPolarHBondContact O-CB 3.43Å; L231-E234 PolarHBondContact O-N 2.92Å; L231-R235 PolarHBondContact O-N 2.82Å | ||
| 232 | P | 71.5 | Confident | 72.5 | Confident | 58 Ų | 58 | 61.2 Ų | 61.2 | 38% | 0.377 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.2 | -18.8 | -176.9 | -29.2 | 36.9 | 0 | 0 | 0 | 115.3 | H236 R1320 | P232-H236 PolarHBondContact O-N 3.22Å; P232-R1320 VanDerWaalsContact CB-CZ 3.45Å |
| 233 | F | 73.6 | Confident | 71.8 | Confident | 123 Ų | 123 | 63.2 Ų | 63.2 | 54% | 0.539 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -75.9 | -34.9 | 170.3 | 85.1 | -98.5 | 0 | 0 | 0 | 111.9 | L231 R235 H236 V237 | L231-F233 HydrophobicContact CB-CD1 3.78Å; L231-F233 HydrophobicContact CB-CE1 3.76Å; L231-F233 HydrophobicContact CD1-CD1 4.37Å; L231-F233 HydrophobicContact CD1-CE1 3.64Å; L231-F233 HydrophobicContact CD1-CZ 4.48Å; L231-F233 HydrophobicContact CG-CE1 4.35Å; L231-F233 PolarHBondContact O-N 3.04Å; F233-R235 VanDerWaalsContact C-N 3.29Å; F233-R235 PolarHBondContact O-N 3.38Å; F233-H236 CarbonylContact O-C 2.92Å; F233-H236 PolarHBondContact O-N 2.77Å; F233-H236 VanDerWaalsContact O-N 3.11Å; F233-V237 HydrophobicContact CD2-CG2 4.45Å; F233-V237 WeakPolarHBondContact O-CG2 3.01Å; F233-V237 PolarHBondContact O-N 3.47Å |
| 234 | E | 72.8 | Confident | 70.5 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.4 | -37.5 | 175.5 | -58.6 | 179.8 | 120.9 | 0 | 0 | 110.5 | R212 I216 L231 H236 V237 A238 | R212-E234 IonicContact CZ-OE1 2.63Å; R212-E234 IonicContact CZ-OE2 2.85Å; R212-E234 IonicContact NE-OE1 3.83Å; R212-E234 PolarHBondContact NE-OE1 3.31Å; R212-E234 IonicContact NE-OE2 2.71Å; R212-E234 IonicContact NH2-OE1 3.77Å; R212-E234 PolarHBondContact NH2-OE1 2.65Å; R212-E234 IonicContact NH2-OE2 3.62Å; R212-E234 PolarHBondContact NH2-OE2 2.72Å; I216-E234 HydrophobicContact CD1-CB 3.77Å; L231-E234 HydrophobicContact CB-CG 4.13Å; L231-E234 PolarHBondContact N-OE2 3.34Å; L231-E234 WeakPolarHBondContact O-CA 3.45Å; L231-E234 WeakPolarHBondContact O-CB 3.43Å; L231-E234 PolarHBondContact O-N 2.92Å; E234-H236 VanDerWaalsContact C-N 3.35Å; E234-V237 PolarHBondContact O-N 3.5Å; E234-A238 WeakPolarHBondContact O-CB 3.32Å; E234-A238 PolarHBondContact O-N 2.8Å |
| 235 | R | 73.8 | Confident | 69.5 | Low | 86 Ų | 86 | 66 Ų | 66 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | 168.9 | -65.8 | -173.6 | 178.4 | -163.8 | -2.9 | 111.3 | I216 C220 L222 V230 L231 F233 A238 E239 | I216-R235 HydrophobicContact CG2-CB 4.28Å; I216-R235 HydrophobicContact CG2-CG 3.76Å; C220-R235 PolarHBondContact O-NH2 3.01Å; L222-R235 PolarHBondContact O-NH2 2.75Å; V230-R235 HydrophobicContact CG1-CG 3.76Å; L231-R235 PolarHBondContact O-N 2.82Å; F233-R235 VanDerWaalsContact C-N 3.29Å; F233-R235 PolarHBondContact O-N 3.38Å; R235-A238 WeakPolarHBondContact O-CB 2.97Å; R235-A238 PolarHBondContact O-N 2.71Å; R235-E239 WeakPolarHBondContact O-CB 3.3Å; R235-E239 VanDerWaalsContact O-CG 3.29Å; R235-E239 WeakPolarHBondContact O-CG 3.04Å; R235-E239 PolarHBondContact O-N 3.47Å |
| 236 | H | 67.4 | Low | 68.2 | Low | 94 Ų | 94 | 67.7 Ų | 67.7 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69 | -35.9 | -179.4 | -163.2 | 52 | 0 | 0 | 0 | 113.4 | P232 F233 E234 A238 E239 Q240 | P232-H236 PolarHBondContact O-N 3.22Å; F233-H236 CarbonylContact O-C 2.92Å; F233-H236 PolarHBondContact O-N 2.77Å; F233-H236 VanDerWaalsContact O-N 3.11Å; E234-H236 VanDerWaalsContact C-N 3.35Å; H236-A238 VanDerWaalsContact C-N 3.33Å; H236-E239 IonicContact ND1-OE2 3.28Å; H236-E239 PolarHBondContact ND1-OE2 2.73Å; H236-E239 PolarHBondContact O-N 2.68Å; H236-Q240 PolarHBondContact CD2-NE2 2.77Å; H236-Q240 PolarHBondContact NE2-NE2 2.5Å; H236-Q240 WeakPolarHBondContact O-CB 2.91Å; H236-Q240 VanDerWaalsContact O-CG 3.26Å; H236-Q240 WeakPolarHBondContact O-CG 3.09Å; H236-Q240 PolarHBondContact O-N 2.84Å |
| 237 | V | 70.1 | Confident | 67.2 | Low | 33 Ų | 33 | 71 Ų | 71 | 20% | 0.2 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.4 | -34.9 | 172.1 | 172 | 0 | 0 | 0 | 0 | 111 | F205 I213 F233 E234 R241 | F205-V237 HydrophobicContact CE1-CG1 4.06Å; F205-V237 HydrophobicContact CZ-CG1 3.8Å; I213-V237 HydrophobicContact CD1-CG1 4.05Å; F233-V237 HydrophobicContact CD2-CG2 4.45Å; F233-V237 WeakPolarHBondContact O-CG2 3.01Å; F233-V237 PolarHBondContact O-N 3.47Å; E234-V237 PolarHBondContact O-N 3.5Å; V237-R241 VanDerWaalsContact O-CB 3.22Å; V237-R241 WeakPolarHBondContact O-CB 3.41Å; V237-R241 PolarHBondContact O-N 2.97Å |
| 238 | A | 64.7 | Low | 66.5 | Low | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.4 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I213 I216 F217 E234 R235 H236 F242 | I213-A238 HydrophobicContact CG2-CB 3.62Å; I213-A238 VanDerWaalsContact O-CB 3.3Å; I213-A238 WeakPolarHBondContact O-CB 3.41Å; I216-A238 HydrophobicContact CB-CB 4.24Å; I216-A238 HydrophobicContact CG2-CB 3.97Å; F217-A238 HydrophobicContact CB-CB 4.05Å; F217-A238 WeakPolarHBondContact CD2-O 3.36Å; E234-A238 WeakPolarHBondContact O-CB 3.32Å; E234-A238 PolarHBondContact O-N 2.8Å; R235-A238 WeakPolarHBondContact O-CB 2.97Å; R235-A238 PolarHBondContact O-N 2.71Å; H236-A238 VanDerWaalsContact C-N 3.33Å; A238-F242 WeakPolarHBondContact O-CB 3.32Å; A238-F242 PolarHBondContact O-N 3.2Å |
| 239 | E | 65.8 | Low | 65.9 | Low | 90 Ų | 90 | 69.9 Ų | 69.9 | 42% | 0.421 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56 | -55.3 | 168.9 | -72.8 | 159.5 | -171.8 | 0 | 0 | 110.5 | R235 H236 R241 S243 | R235-E239 WeakPolarHBondContact O-CB 3.3Å; R235-E239 VanDerWaalsContact O-CG 3.29Å; R235-E239 WeakPolarHBondContact O-CG 3.04Å; R235-E239 PolarHBondContact O-N 3.47Å; H236-E239 IonicContact ND1-OE2 3.28Å; H236-E239 PolarHBondContact ND1-OE2 2.73Å; H236-E239 PolarHBondContact O-N 2.68Å; E239-R241 PolarHBondContact O-N 2.83Å; E239-S243 WeakPolarHBondContact O-CA 3.03Å; E239-S243 WeakPolarHBondContact O-CB 3.34Å; E239-S243 PolarHBondContact O-N 3.23Å; E239-S243 PolarHBondContact O-OG 2.73Å |
| 240 | Q | 62.1 | Low | 65 | Low | 102 Ų | 102 | 71.9 Ų | 71.9 | 48% | 0.477 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.3 | -53.5 | 179.9 | -74.7 | 177.7 | 6.5 | 0 | 0 | 112.4 | H236 S243 Q244 | H236-Q240 PolarHBondContact CD2-NE2 2.77Å; H236-Q240 PolarHBondContact NE2-NE2 2.5Å; H236-Q240 WeakPolarHBondContact O-CB 2.91Å; H236-Q240 VanDerWaalsContact O-CG 3.26Å; H236-Q240 WeakPolarHBondContact O-CG 3.09Å; H236-Q240 PolarHBondContact O-N 2.84Å; Q240-S243 PolarHBondContact O-OG 3.07Å; Q240-Q244 WeakPolarHBondContact O-CB 3.43Å; Q240-Q244 WeakPolarHBondContact O-CG 3.47Å; Q240-Q244 PolarHBondContact O-N 2.78Å; Q240-Q244 VanDerWaalsContact O-N 3.11Å |
| 241 | R | 63.9 | Low | 64.3 | Low | 74 Ų | 74 | 75.7 Ų | 75.7 | 28% | 0.279 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.6 | -44.7 | -173.2 | -168.3 | 178.2 | -172.5 | 95.4 | 0.9 | 112.4 | I202 F205 L210 V237 E239 V245 | I202-R241 VanDerWaalsContact CG2-NH1 3.34Å; F205-R241 VanDerWaalsContact CD2-NH1 3.27Å; L210-R241 VanDerWaalsContact CD2-NE 3.29Å; V237-R241 VanDerWaalsContact O-CB 3.22Å; V237-R241 WeakPolarHBondContact O-CB 3.41Å; V237-R241 PolarHBondContact O-N 2.97Å; E239-R241 PolarHBondContact O-N 2.83Å; R241-V245 WeakPolarHBondContact O-CG2 3.43Å; R241-V245 PolarHBondContact O-N 3.17Å |
| 242 | F | 60.6 | Low | 63.8 | Low | 34 Ų | 34 | 77.3 Ų | 77.3 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -87.1 | -24.7 | -178.6 | -71.4 | -71.3 | 0 | 0 | 0 | 113.4 | I213 F214 F217 A238 V245 E246 | I213-F242 HydrophobicContact CB-CE2 4.21Å; I213-F242 HydrophobicContact CG2-CD2 3.91Å; I213-F242 HydrophobicContact CG2-CE2 3.66Å; F214-F242 VanDerWaalsContact CA-CE2 3.46Å; F214-F242 HydrophobicContact CB-CE1 4.48Å; F214-F242 HydrophobicContact CB-CE2 3.8Å; F214-F242 HydrophobicContact CB-CZ 3.73Å; F214-F242 HydrophobicContact CD2-CD1 4.28Å; F214-F242 AromaticContact CD2-CE1 3.77Å; F214-F242 HydrophobicContact CD2-CE1 3.77Å; F214-F242 HydrophobicContact CD2-CE2 4.47Å; F214-F242 AromaticContact CD2-CZ 3.88Å; F214-F242 HydrophobicContact CD2-CZ 3.88Å; F214-F242 HydrophobicContact CG-CZ 4.32Å; F217-F242 HydrophobicContact CB-CB 4.15Å; F217-F242 HydrophobicContact CB-CD2 4.14Å; F217-F242 HydrophobicContact CB-CG 4.4Å; F217-F242 HydrophobicContact CD1-CB 3.56Å; F217-F242 HydrophobicContact CD1-CG 4.28Å; F217-F242 HydrophobicContact CD2-CB 3.81Å; F217-F242 HydrophobicContact CE1-CB 3.81Å; F217-F242 HydrophobicContact CE2-CB 4.03Å; F217-F242 HydrophobicContact CG-CB 3.56Å; F217-F242 HydrophobicContact CG-CD2 4.48Å; F217-F242 HydrophobicContact CG-CG 4.28Å; F217-F242 HydrophobicContact CZ-CB 4.03Å; A238-F242 WeakPolarHBondContact O-CB 3.32Å; A238-F242 PolarHBondContact O-N 3.2Å; F242-V245 PolarHBondContact O-N 3.15Å; F242-E246 WeakPolarHBondContact O-CA 3Å; F242-E246 WeakPolarHBondContact O-CB 3.35Å; F242-E246 PolarHBondContact O-N 2.7Å |
| 243 | S | 63.8 | Low | 63.8 | Low | 43 Ų | 43 | 79.4 Ų | 79.4 | 30% | 0.301 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 164.1 | 68.8 | 0 | 0 | 0 | 0 | 110.7 | E239 Q240 V245 E246 I247 | E239-S243 WeakPolarHBondContact O-CA 3.03Å; E239-S243 WeakPolarHBondContact O-CB 3.34Å; E239-S243 PolarHBondContact O-N 3.23Å; E239-S243 PolarHBondContact O-OG 2.73Å; Q240-S243 PolarHBondContact O-OG 3.07Å; S243-V245 PolarHBondContact O-N 2.78Å; S243-E246 PolarHBondContact O-N 3.36Å; S243-I247 WeakPolarHBondContact O-CA 3.32Å; S243-I247 WeakPolarHBondContact O-CB 3.28Å; S243-I247 WeakPolarHBondContact O-CD1 3.34Å; S243-I247 WeakPolarHBondContact O-CG1 3.07Å; S243-I247 PolarHBondContact O-N 3.43Å |
| 244 | Q | 51.5 | Low | 63.6 | Low | 137 Ų | 137 | 77 Ų | 77 | 64% | 0.64 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 177 | -76 | -173.9 | -6.9 | 0 | 0 | 112.6 | Q240 S248 | Q240-Q244 WeakPolarHBondContact O-CB 3.43Å; Q240-Q244 WeakPolarHBondContact O-CG 3.47Å; Q240-Q244 PolarHBondContact O-N 2.78Å; Q240-Q244 VanDerWaalsContact O-N 3.11Å; Q244-S248 VanDerWaalsContact O-CB 3.3Å; Q244-S248 WeakPolarHBondContact O-CB 3.01Å; Q244-S248 PolarHBondContact O-N 2.52Å; Q244-S248 PolarHBondContact O-OG 3.04Å |
| 245 | V | 57.1 | Low | 63.5 | Low | 71 Ų | 71 | 79.4 Ų | 79.4 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.6 | -35 | 176.7 | 173.9 | 0 | 0 | 0 | 0 | 112.7 | R241 F242 S243 R249 | R241-V245 WeakPolarHBondContact O-CG2 3.43Å; R241-V245 PolarHBondContact O-N 3.17Å; F242-V245 PolarHBondContact O-N 3.15Å; S243-V245 PolarHBondContact O-N 2.78Å; V245-R249 WeakPolarHBondContact O-CB 3.25Å; V245-R249 PolarHBondContact O-N 2.47Å |
| 246 | E | 55.1 | Low | 63.4 | Low | 35 Ų | 35 | 78.9 Ų | 78.9 | 16% | 0.164 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -75.6 | -37.7 | 176.9 | -147.5 | -172 | 167.6 | 0 | 0 | 110.9 | F217 F242 S243 R249 Y250 | F217-E246 VanDerWaalsContact CE1-OE2 3.23Å; F217-E246 WeakPolarHBondContact CE1-OE2 3.15Å; F217-E246 VanDerWaalsContact CZ-OE2 3.29Å; F217-E246 WeakPolarHBondContact CZ-OE2 3.41Å; F242-E246 WeakPolarHBondContact O-CA 3Å; F242-E246 WeakPolarHBondContact O-CB 3.35Å; F242-E246 PolarHBondContact O-N 2.7Å; S243-E246 PolarHBondContact O-N 3.36Å; E246-R249 CarbonylContact O-C 3.4Å; E246-R249 WeakPolarHBondContact O-CA 2.96Å; E246-R249 WeakPolarHBondContact O-CB 3.28Å; E246-R249 PolarHBondContact O-N 3Å; E246-Y250 HydrophobicContact CB-CE2 4.23Å; E246-Y250 HydrophobicContact CG-CD2 4.09Å; E246-Y250 HydrophobicContact CG-CE2 3.45Å; E246-Y250 VanDerWaalsContact CG-CE2 3.45Å; E246-Y250 WeakPolarHBondContact O-CB 3.26Å; E246-Y250 WeakPolarHBondContact O-CD2 3.49Å; E246-Y250 PolarHBondContact O-N 2.74Å; E246-Y250 WeakPolarHBondContact OE1-CE2 3.43Å; E246-Y250 PolarHBondContact OE1-OH 2.75Å |
| 247 | I | 57.2 | Low | 63.8 | Low | 90 Ų | 90 | 80.6 Ų | 80.6 | 46% | 0.462 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 167.4 | -69.2 | 164.3 | 0 | 0 | 0 | 109.8 | S243 R249 Y250 L251 | S243-I247 WeakPolarHBondContact O-CA 3.32Å; S243-I247 WeakPolarHBondContact O-CB 3.28Å; S243-I247 WeakPolarHBondContact O-CD1 3.34Å; S243-I247 WeakPolarHBondContact O-CG1 3.07Å; S243-I247 PolarHBondContact O-N 3.43Å; I247-R249 VanDerWaalsContact C-N 3.26Å; I247-R249 PolarHBondContact O-N 2.75Å; I247-Y250 CarbonylContact O-C 3.39Å; I247-Y250 PolarHBondContact O-N 2.8Å; I247-L251 HydrophobicContact CG2-CD1 3.75Å; I247-L251 HydrophobicContact CG2-CG 4.07Å; I247-L251 VanDerWaalsContact O-CB 3.26Å; I247-L251 WeakPolarHBondContact O-CB 3Å; I247-L251 VanDerWaalsContact O-CG 3.26Å; I247-L251 WeakPolarHBondContact O-CG 2.89Å; I247-L251 PolarHBondContact O-N 3Å |
| 248 | S | 57.9 | Low | 64 | Low | 63 Ų | 63 | 81.6 Ų | 81.6 | 44% | 0.441 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.1 | -31.5 | 173.2 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | Q244 N252 | Q244-S248 VanDerWaalsContact O-CB 3.3Å; Q244-S248 WeakPolarHBondContact O-CB 3.01Å; Q244-S248 PolarHBondContact O-N 2.52Å; Q244-S248 PolarHBondContact O-OG 3.04Å; S248-N252 VanDerWaalsContact O-CB 3.23Å; S248-N252 WeakPolarHBondContact O-CB 3.25Å; S248-N252 VanDerWaalsContact O-CG 3.22Å; S248-N252 PolarHBondContact O-N 3.04Å |
| 249 | R | 64.7 | Low | 64.4 | Low | 141 Ų | 141 | 85.2 Ų | 85.2 | 53% | 0.532 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -72.1 | -39.6 | 171.8 | 178.6 | -175.8 | -72.9 | 142.5 | -4.4 | 112 | V245 E246 I247 K253 | V245-R249 WeakPolarHBondContact O-CB 3.25Å; V245-R249 PolarHBondContact O-N 2.47Å; E246-R249 CarbonylContact O-C 3.4Å; E246-R249 WeakPolarHBondContact O-CA 2.96Å; E246-R249 WeakPolarHBondContact O-CB 3.28Å; E246-R249 PolarHBondContact O-N 3Å; I247-R249 VanDerWaalsContact C-N 3.26Å; I247-R249 PolarHBondContact O-N 2.75Å; R249-K253 WeakPolarHBondContact O-CB 3.27Å; R249-K253 WeakPolarHBondContact O-CG 3.01Å; R249-K253 PolarHBondContact O-N 3.19Å |
| 250 | Y | 56.7 | Low | 64.8 | Low | 128 Ų | 128 | 85.7 Ų | 85.7 | 50% | 0.502 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.4 | -43.6 | 175.7 | -72.3 | -55.3 | 0 | 0 | 0 | 110.5 | E246 I247 K253 L254 | E246-Y250 HydrophobicContact CB-CE2 4.23Å; E246-Y250 HydrophobicContact CG-CD2 4.09Å; E246-Y250 HydrophobicContact CG-CE2 3.45Å; E246-Y250 VanDerWaalsContact CG-CE2 3.45Å; E246-Y250 WeakPolarHBondContact O-CB 3.26Å; E246-Y250 WeakPolarHBondContact O-CD2 3.49Å; E246-Y250 PolarHBondContact O-N 2.74Å; E246-Y250 WeakPolarHBondContact OE1-CE2 3.43Å; E246-Y250 PolarHBondContact OE1-OH 2.75Å; I247-Y250 CarbonylContact O-C 3.39Å; I247-Y250 PolarHBondContact O-N 2.8Å; Y250-K253 CarbonylContact O-C 3.21Å; Y250-K253 PolarHBondContact O-N 2.56Å; Y250-L254 WeakPolarHBondContact O-CB 3.41Å; Y250-L254 PolarHBondContact O-N 2.69Å |
| 251 | L | 62.9 | Low | 65.2 | Low | 87 Ų | 87 | 84.3 Ų | 84.3 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 170.7 | -72.1 | 173 | 0 | 0 | 0 | 111.4 | I247 K253 L254 N255 | I247-L251 HydrophobicContact CG2-CD1 3.75Å; I247-L251 HydrophobicContact CG2-CG 4.07Å; I247-L251 VanDerWaalsContact O-CB 3.26Å; I247-L251 WeakPolarHBondContact O-CB 3Å; I247-L251 VanDerWaalsContact O-CG 3.26Å; I247-L251 WeakPolarHBondContact O-CG 2.89Å; I247-L251 PolarHBondContact O-N 3Å; L251-K253 PolarHBondContact O-N 2.75Å; L251-L254 CarbonylContact O-C 3.43Å; L251-L254 PolarHBondContact O-N 3.5Å; L251-N255 WeakPolarHBondContact O-CB 3.5Å; L251-N255 PolarHBondContact O-N 2.85Å; L251-N255 PolarHBondContact O-ND2 2.84Å; L251-N255 PolarHBondContact O-OD1 2.46Å |
| 252 | N | 66.5 | Low | 65.9 | Low | 104 Ų | 104 | 86.8 Ų | 86.8 | 56% | 0.556 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66.9 | -37.6 | 175.4 | -78.1 | -7.4 | 0 | 0 | 0 | 112.3 | S248 T256 | S248-N252 VanDerWaalsContact O-CB 3.23Å; S248-N252 WeakPolarHBondContact O-CB 3.25Å; S248-N252 VanDerWaalsContact O-CG 3.22Å; S248-N252 PolarHBondContact O-N 3.04Å; N252-T256 PolarHBondContact O-N 3.28Å; N252-T256 PolarHBondContact O-OG1 3.35Å; N252-T256 VanDerWaalsContact O-OG1 3.11Å |
| 253 | K | 72.5 | Confident | 66.6 | Low | 103 Ų | 103 | 89.8 Ų | 89.8 | 45% | 0.448 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 171.3 | -81.1 | -172 | 171.8 | -163.7 | 0 | 112.2 | R249 Y250 L251 T256 Y257 | R249-K253 WeakPolarHBondContact O-CB 3.27Å; R249-K253 WeakPolarHBondContact O-CG 3.01Å; R249-K253 PolarHBondContact O-N 3.19Å; Y250-K253 CarbonylContact O-C 3.21Å; Y250-K253 PolarHBondContact O-N 2.56Å; L251-K253 PolarHBondContact O-N 2.75Å; K253-T256 WeakPolarHBondContact CA-OG1 2.98Å; K253-T256 PolarHBondContact O-N 2.81Å; K253-T256 PolarHBondContact O-OG1 3.29Å; K253-Y257 HydrophobicContact CB-CE2 4.32Å; K253-Y257 WeakPolarHBondContact O-CB 2.99Å; K253-Y257 VanDerWaalsContact O-CD2 3.25Å; K253-Y257 WeakPolarHBondContact O-CD2 3.25Å; K253-Y257 PolarHBondContact O-N 3.26Å |
| 254 | L | 68.4 | Low | 67.1 | Low | 73 Ų | 73 | 91.7 Ų | 91.7 | 38% | 0.382 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.1 | -35.2 | -179.2 | -164.9 | 155.7 | 0 | 0 | 0 | 110.4 | Y250 L251 Y257 E258 | Y250-L254 WeakPolarHBondContact O-CB 3.41Å; Y250-L254 PolarHBondContact O-N 2.69Å; L251-L254 CarbonylContact O-C 3.43Å; L251-L254 PolarHBondContact O-N 3.5Å; L254-Y257 CarbonylContact O-C 3.17Å; L254-Y257 PolarHBondContact O-N 3.12Å; L254-E258 HydrophobicContact CD2-CG 4.05Å; L254-E258 VanDerWaalsContact CD2-OE1 3.26Å; L254-E258 WeakPolarHBondContact CD2-OE1 3.22Å; L254-E258 WeakPolarHBondContact O-CB 2.94Å; L254-E258 WeakPolarHBondContact O-CG 2.89Å; L254-E258 PolarHBondContact O-N 2.8Å |
| 255 | N | 71.1 | Confident | 68.1 | Low | 79 Ų | 79 | 89.2 Ų | 89.2 | 42% | 0.422 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 168.2 | -70 | -14.9 | 0 | 0 | 0 | 110.8 | L251 Y257 E258 S259 | L251-N255 WeakPolarHBondContact O-CB 3.5Å; L251-N255 PolarHBondContact O-N 2.85Å; L251-N255 PolarHBondContact O-ND2 2.84Å; L251-N255 PolarHBondContact O-OD1 2.46Å; N255-Y257 VanDerWaalsContact C-N 3.33Å; N255-Y257 PolarHBondContact O-N 2.83Å; N255-E258 PolarHBondContact O-N 3.21Å; N255-S259 WeakPolarHBondContact O-CB 2.94Å; N255-S259 PolarHBondContact O-N 3.23Å; N255-S259 PolarHBondContact O-OG 2.75Å |
| 256 | T | 70.6 | Confident | 69 | Low | 75 Ų | 75 | 90.2 Ų | 90.2 | 46% | 0.46 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66 | -34.7 | 174.2 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | N252 K253 S259 Q260 | N252-T256 PolarHBondContact O-N 3.28Å; N252-T256 PolarHBondContact O-OG1 3.35Å; N252-T256 VanDerWaalsContact O-OG1 3.11Å; K253-T256 WeakPolarHBondContact CA-OG1 2.98Å; K253-T256 PolarHBondContact O-N 2.81Å; K253-T256 PolarHBondContact O-OG1 3.29Å; T256-S259 PolarHBondContact O-N 2.92Å; T256-Q260 WeakPolarHBondContact O-CB 2.95Å; T256-Q260 VanDerWaalsContact O-CG 3.27Å; T256-Q260 WeakPolarHBondContact O-CG 3.33Å; T256-Q260 PolarHBondContact O-N 2.94Å |
| 257 | Y | 75.9 | Confident | 70 | Confident | 131 Ų | 131 | 94.1 Ų | 94.1 | 51% | 0.514 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.6 | -36.5 | 173 | -64.1 | -33.2 | 0 | 0 | 0 | 111.7 | K253 L254 N255 Q260 L261 | K253-Y257 HydrophobicContact CB-CE2 4.32Å; K253-Y257 WeakPolarHBondContact O-CB 2.99Å; K253-Y257 VanDerWaalsContact O-CD2 3.25Å; K253-Y257 WeakPolarHBondContact O-CD2 3.25Å; K253-Y257 PolarHBondContact O-N 3.26Å; L254-Y257 CarbonylContact O-C 3.17Å; L254-Y257 PolarHBondContact O-N 3.12Å; N255-Y257 VanDerWaalsContact C-N 3.33Å; N255-Y257 PolarHBondContact O-N 2.83Å; Y257-Q260 PolarHBondContact O-N 2.85Å; Y257-L261 VanDerWaalsContact O-CB 3.24Å; Y257-L261 WeakPolarHBondContact O-CB 3.19Å; Y257-L261 WeakPolarHBondContact O-CG 3.1Å; Y257-L261 PolarHBondContact O-N 3.16Å |
| 258 | E | 75 | Confident | 70.7 | Confident | 54 Ų | 54 | 92.9 Ų | 92.9 | 25% | 0.252 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.2 | -30.8 | 173 | -77.4 | -173.8 | -175.8 | 0 | 0 | 111.9 | L254 N255 K262 R1345 | L254-E258 HydrophobicContact CD2-CG 4.05Å; L254-E258 VanDerWaalsContact CD2-OE1 3.26Å; L254-E258 WeakPolarHBondContact CD2-OE1 3.22Å; L254-E258 WeakPolarHBondContact O-CB 2.94Å; L254-E258 WeakPolarHBondContact O-CG 2.89Å; L254-E258 PolarHBondContact O-N 2.8Å; N255-E258 PolarHBondContact O-N 3.21Å; E258-K262 WeakPolarHBondContact O-CB 2.91Å; E258-K262 WeakPolarHBondContact O-CD 3.02Å; E258-K262 WeakPolarHBondContact O-CG 3.29Å; E258-K262 PolarHBondContact O-N 2.85Å; E258-R1345 IonicContact OE1-CZ 3.61Å; E258-R1345 IonicContact OE1-NH1 2.72Å; E258-R1345 PolarHBondContact OE1-NH1 2.73Å; E258-R1345 IonicContact OE1-NH2 3.54Å; E258-R1345 PolarHBondContact OE1-NH2 2.87Å |
| 259 | S | 73 | Confident | 71.4 | Confident | 75 Ų | 75 | 92.3 Ų | 92.3 | 52% | 0.524 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.4 | -44.8 | 168.7 | -69.9 | 0 | 0 | 0 | 0 | 111.8 | N255 T256 K262 E263 | N255-S259 WeakPolarHBondContact O-CB 2.94Å; N255-S259 PolarHBondContact O-N 3.23Å; N255-S259 PolarHBondContact O-OG 2.75Å; T256-S259 PolarHBondContact O-N 2.92Å; S259-K262 PolarHBondContact O-N 3.29Å; S259-E263 WeakPolarHBondContact O-CB 3.09Å; S259-E263 PolarHBondContact O-N 2.9Å |
| 260 | Q | 73.5 | Confident | 71.9 | Confident | 100 Ų | 100 | 90.6 Ų | 90.6 | 47% | 0.467 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 175.1 | -76.2 | 173 | -17.1 | 0 | 0 | 111.7 | T256 Y257 E263 I264 | T256-Q260 WeakPolarHBondContact O-CB 2.95Å; T256-Q260 VanDerWaalsContact O-CG 3.27Å; T256-Q260 WeakPolarHBondContact O-CG 3.33Å; T256-Q260 PolarHBondContact O-N 2.94Å; Y257-Q260 PolarHBondContact O-N 2.85Å; Q260-E263 PolarHBondContact O-N 2.79Å; Q260-I264 WeakPolarHBondContact O-CB 3.46Å; Q260-I264 WeakPolarHBondContact O-CD1 3.38Å; Q260-I264 VanDerWaalsContact O-CG1 3.23Å; Q260-I264 WeakPolarHBondContact O-CG1 3.38Å; Q260-I264 PolarHBondContact O-N 2.68Å |
| 261 | L | 71.1 | Confident | 72.7 | Confident | 74 Ų | 74 | 89.9 Ų | 89.9 | 39% | 0.387 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 172.5 | -76.1 | 166.7 | 0 | 0 | 0 | 110.8 | Y257 E263 I264 E265 | Y257-L261 VanDerWaalsContact O-CB 3.24Å; Y257-L261 WeakPolarHBondContact O-CB 3.19Å; Y257-L261 WeakPolarHBondContact O-CG 3.1Å; Y257-L261 PolarHBondContact O-N 3.16Å; L261-E263 PolarHBondContact O-N 2.77Å; L261-I264 CarbonylContact O-C 3.21Å; L261-I264 PolarHBondContact O-N 3.17Å; L261-E265 VanDerWaalsContact O-CB 3.25Å; L261-E265 WeakPolarHBondContact O-CB 3.04Å; L261-E265 WeakPolarHBondContact O-CG 2.89Å; L261-E265 PolarHBondContact O-N 3.18Å |
| 262 | K | 77.8 | Confident | 73.1 | Confident | 126 Ų | 126 | 87 Ų | 87 | 55% | 0.548 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.7 | -35.4 | 172.7 | -76.2 | 165.6 | -176.8 | 165.7 | 0 | 113.2 | E258 S259 T266 | E258-K262 WeakPolarHBondContact O-CB 2.91Å; E258-K262 WeakPolarHBondContact O-CD 3.02Å; E258-K262 WeakPolarHBondContact O-CG 3.29Å; E258-K262 PolarHBondContact O-N 2.85Å; S259-K262 PolarHBondContact O-N 3.29Å; K262-T266 WeakPolarHBondContact O-CB 3.42Å; K262-T266 WeakPolarHBondContact O-CG2 3.49Å; K262-T266 PolarHBondContact O-N 3.36Å; K262-T266 PolarHBondContact O-OG1 2.74Å |
| 263 | E | 75.5 | Confident | 73.5 | Confident | 97 Ų | 97 | 88.2 Ų | 88.2 | 45% | 0.453 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 173.6 | -164.7 | -170.9 | 153.3 | 0 | 0 | 111.4 | S259 Q260 L261 T266 K267 | S259-E263 WeakPolarHBondContact O-CB 3.09Å; S259-E263 PolarHBondContact O-N 2.9Å; Q260-E263 PolarHBondContact O-N 2.79Å; L261-E263 PolarHBondContact O-N 2.77Å; E263-T266 WeakPolarHBondContact CA-OG1 3.31Å; E263-T266 PolarHBondContact O-OG1 2.95Å; E263-T266 VanDerWaalsContact O-OG1 3.08Å; E263-K267 HydrophobicContact CG-CD 4.49Å; E263-K267 WeakPolarHBondContact O-CB 2.83Å; E263-K267 VanDerWaalsContact O-CG 3.25Å; E263-K267 WeakPolarHBondContact O-CG 3.09Å; E263-K267 PolarHBondContact O-N 2.93Å; E263-K267 VanDerWaalsContact OE1-CE 3.28Å; E263-K267 WeakPolarHBondContact OE1-CE 3.43Å; E263-K267 IonicContact OE1-NZ 2.93Å; E263-K267 PolarHBondContact OE1-NZ 2.99Å |
| 264 | I | 74.5 | Confident | 73.2 | Confident | 82 Ų | 82 | 87.1 Ų | 87.1 | 42% | 0.421 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72.7 | -37.7 | 175.1 | -69.8 | 164.2 | 0 | 0 | 0 | 111 | Q260 L261 N268 | Q260-I264 WeakPolarHBondContact O-CB 3.46Å; Q260-I264 WeakPolarHBondContact O-CD1 3.38Å; Q260-I264 VanDerWaalsContact O-CG1 3.23Å; Q260-I264 WeakPolarHBondContact O-CG1 3.38Å; Q260-I264 PolarHBondContact O-N 2.68Å; L261-I264 CarbonylContact O-C 3.21Å; L261-I264 PolarHBondContact O-N 3.17Å; I264-N268 WeakPolarHBondContact O-CA 3.45Å; I264-N268 WeakPolarHBondContact O-CB 3.02Å; I264-N268 PolarHBondContact O-N 3.11Å; I264-N268 PolarHBondContact O-ND2 2.84Å |
| 265 | E | 73.7 | Confident | 73.2 | Confident | 86 Ų | 86 | 87.1 Ų | 87.1 | 40% | 0.402 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.1 | -36.1 | 175.9 | -76 | 168.2 | 172.3 | 0 | 0 | 111.4 | L261 S269 H1349 | L261-E265 VanDerWaalsContact O-CB 3.25Å; L261-E265 WeakPolarHBondContact O-CB 3.04Å; L261-E265 WeakPolarHBondContact O-CG 2.89Å; L261-E265 PolarHBondContact O-N 3.18Å; E265-S269 WeakPolarHBondContact O-CB 2.9Å; E265-S269 PolarHBondContact O-N 3.34Å; E265-H1349 IonicContact OE1-CE1 2.76Å; E265-H1349 PolarHBondContact OE1-CE1 3.47Å; E265-H1349 VanDerWaalsContact OE1-CE1 3.3Å; E265-H1349 IonicContact OE1-ND1 2.73Å; E265-H1349 PolarHBondContact OE1-ND1 2.73Å; E265-H1349 VanDerWaalsContact OE1-ND1 3.1Å |
| 266 | T | 75.3 | Confident | 73.4 | Confident | 92 Ų | 92 | 83.5 Ų | 83.5 | 56% | 0.564 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -73.4 | -41.1 | 172.6 | 47 | 0 | 0 | 0 | 0 | 112.5 | K262 E263 S269 L270 | K262-T266 WeakPolarHBondContact O-CB 3.42Å; K262-T266 WeakPolarHBondContact O-CG2 3.49Å; K262-T266 PolarHBondContact O-N 3.36Å; K262-T266 PolarHBondContact O-OG1 2.74Å; E263-T266 WeakPolarHBondContact CA-OG1 3.31Å; E263-T266 PolarHBondContact O-OG1 2.95Å; E263-T266 VanDerWaalsContact O-OG1 3.08Å; T266-S269 CarbonylContact O-C 3.54Å; T266-S269 PolarHBondContact O-N 3.4Å; T266-L270 PolarHBondContact O-N 3.14Å |
| 267 | K | 75.8 | Confident | 73.6 | Confident | 116 Ų | 116 | 84.6 Ų | 84.6 | 50% | 0.504 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 171.2 | -75.3 | 173.4 | -172.6 | 172.4 | 0 | 112.1 | E263 S269 L270 L271 | E263-K267 HydrophobicContact CG-CD 4.49Å; E263-K267 WeakPolarHBondContact O-CB 2.83Å; E263-K267 VanDerWaalsContact O-CG 3.25Å; E263-K267 WeakPolarHBondContact O-CG 3.09Å; E263-K267 PolarHBondContact O-N 2.93Å; E263-K267 VanDerWaalsContact OE1-CE 3.28Å; E263-K267 WeakPolarHBondContact OE1-CE 3.43Å; E263-K267 IonicContact OE1-NZ 2.93Å; E263-K267 PolarHBondContact OE1-NZ 2.99Å; K267-S269 VanDerWaalsContact C-N 3.32Å; K267-S269 PolarHBondContact O-N 3.07Å; K267-L270 PolarHBondContact O-N 2.77Å; K267-L270 VanDerWaalsContact O-N 3.17Å; K267-L271 WeakPolarHBondContact O-CB 3.35Å; K267-L271 PolarHBondContact O-N 3.44Å |
| 268 | N | 71.8 | Confident | 73.2 | Confident | 64 Ų | 64 | 84.7 Ų | 84.7 | 34% | 0.342 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 173.4 | -74.4 | -17.5 | 0 | 0 | 0 | 110.9 | I264 L270 K272 | I264-N268 WeakPolarHBondContact O-CA 3.45Å; I264-N268 WeakPolarHBondContact O-CB 3.02Å; I264-N268 PolarHBondContact O-N 3.11Å; I264-N268 PolarHBondContact O-ND2 2.84Å; N268-L270 VanDerWaalsContact C-N 3.29Å; N268-L270 PolarHBondContact O-N 2.79Å; N268-K272 WeakPolarHBondContact O-CA 3.11Å; N268-K272 WeakPolarHBondContact O-CB 2.75Å; N268-K272 WeakPolarHBondContact O-CG 3.24Å; N268-K272 PolarHBondContact O-N 2.75Å |
| 269 | S | 73.5 | Confident | 72.7 | Confident | 52 Ų | 52 | 84 Ų | 84 | 36% | 0.364 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.5 | -26.9 | 173.7 | -178.5 | 0 | 0 | 0 | 0 | 113 | E265 T266 K267 K273 | E265-S269 WeakPolarHBondContact O-CB 2.9Å; E265-S269 PolarHBondContact O-N 3.34Å; T266-S269 CarbonylContact O-C 3.54Å; T266-S269 PolarHBondContact O-N 3.4Å; K267-S269 VanDerWaalsContact C-N 3.32Å; K267-S269 PolarHBondContact O-N 3.07Å; S269-K273 VanDerWaalsContact O-CG 3.3Å; S269-K273 WeakPolarHBondContact O-CG 3.08Å; S269-K273 PolarHBondContact O-N 3.35Å |
| 270 | L | 74.8 | Confident | 72.7 | Confident | 104 Ų | 104 | 80.4 Ų | 80.4 | 55% | 0.545 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -76.8 | -54 | 173 | -174.1 | 63.9 | 0 | 0 | 0 | 110.1 | T266 K267 N268 K272 K273 D274 | T266-L270 PolarHBondContact O-N 3.14Å; K267-L270 PolarHBondContact O-N 2.77Å; K267-L270 VanDerWaalsContact O-N 3.17Å; N268-L270 VanDerWaalsContact C-N 3.29Å; N268-L270 PolarHBondContact O-N 2.79Å; L270-K272 CarbonylContact O-C 3.41Å; L270-K272 PolarHBondContact O-N 3.36Å; L270-K273 CarbonylContact O-C 3.45Å; L270-K273 VanDerWaalsContact O-CA 3.31Å; L270-K273 WeakPolarHBondContact O-CA 3.3Å; L270-K273 VanDerWaalsContact O-CB 3.31Å; L270-K273 WeakPolarHBondContact O-CB 2.82Å; L270-K273 PolarHBondContact O-N 2.9Å; L270-D274 PolarHBondContact O-N 3.03Å |
| 271 | L | 72.6 | Confident | 72.2 | Confident | 113 Ų | 113 | 80.8 Ų | 80.8 | 59% | 0.592 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -57.8 | -34.7 | 176.2 | -154.5 | 88.4 | 0 | 0 | 0 | 112.2 | K267 D274 L275 | K267-L271 WeakPolarHBondContact O-CB 3.35Å; K267-L271 PolarHBondContact O-N 3.44Å; L271-D274 PolarHBondContact O-N 2.76Å; L271-L275 WeakPolarHBondContact O-CB 3.46Å; L271-L275 PolarHBondContact O-N 3.48Å |
| 272 | K | 72.5 | Confident | 72.3 | Confident | 26 Ų | 26 | 82.1 Ų | 82.1 | 11% | 0.113 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.4 | -49.9 | 167.3 | -87.1 | -141.5 | 165.4 | 72.1 | 0 | 111.3 | N268 L270 D274 S276 Q1356 E1360 | N268-K272 WeakPolarHBondContact O-CA 3.11Å; N268-K272 WeakPolarHBondContact O-CB 2.75Å; N268-K272 WeakPolarHBondContact O-CG 3.24Å; N268-K272 PolarHBondContact O-N 2.75Å; L270-K272 CarbonylContact O-C 3.41Å; L270-K272 PolarHBondContact O-N 3.36Å; K272-D274 VanDerWaalsContact C-N 3.27Å; K272-D274 PolarHBondContact O-N 3.08Å; K272-S276 WeakPolarHBondContact O-CA 3.18Å; K272-S276 WeakPolarHBondContact O-CB 3Å; K272-S276 PolarHBondContact O-N 2.71Å; K272-Q1356 HydrophobicContact CD-CG 3.95Å; K272-Q1356 WeakPolarHBondContact CE-O 3.15Å; K272-E1360 HydrophobicContact CD-CG 4.37Å; K272-E1360 VanDerWaalsContact CD-OE1 3.24Å; K272-E1360 WeakPolarHBondContact CD-OE1 3.13Å; K272-E1360 VanDerWaalsContact CE-OE1 3.24Å; K272-E1360 WeakPolarHBondContact CE-OE1 3.05Å; K272-E1360 VanDerWaalsContact CE-OE2 3.28Å; K272-E1360 WeakPolarHBondContact CE-OE2 3.19Å; K272-E1360 VanDerWaalsContact CG-OE1 3.22Å; K272-E1360 WeakPolarHBondContact CG-OE1 3.36Å |
| 273 | K | 75.2 | Confident | 72.1 | Confident | 131 Ų | 131 | 76.2 Ų | 76.2 | 57% | 0.57 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.9 | -34.6 | 177.7 | -78.6 | 173 | 177.5 | -174.9 | 0 | 112.3 | S269 L270 S276 H277 | S269-K273 VanDerWaalsContact O-CG 3.3Å; S269-K273 WeakPolarHBondContact O-CG 3.08Å; S269-K273 PolarHBondContact O-N 3.35Å; L270-K273 CarbonylContact O-C 3.45Å; L270-K273 VanDerWaalsContact O-CA 3.31Å; L270-K273 WeakPolarHBondContact O-CA 3.3Å; L270-K273 VanDerWaalsContact O-CB 3.31Å; L270-K273 WeakPolarHBondContact O-CB 2.82Å; L270-K273 PolarHBondContact O-N 2.9Å; K273-S276 WeakPolarHBondContact O-CB 3.44Å; K273-H277 VanDerWaalsContact O-CB 3.27Å; K273-H277 WeakPolarHBondContact O-CB 3.43Å; K273-H277 PolarHBondContact O-N 2.66Å |
| 274 | D | 64.8 | Low | 71.7 | Confident | 80 Ų | 80 | 74.3 Ų | 74.3 | 43% | 0.428 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70 | -54.2 | 178.6 | -53.5 | -32.6 | 0 | 0 | 0 | 110.5 | L270 L271 K272 S276 H277 E278 | L270-D274 PolarHBondContact O-N 3.03Å; L271-D274 PolarHBondContact O-N 2.76Å; K272-D274 VanDerWaalsContact C-N 3.27Å; K272-D274 PolarHBondContact O-N 3.08Å; D274-S276 VanDerWaalsContact C-N 3.29Å; D274-S276 PolarHBondContact O-N 2.76Å; D274-H277 CarbonylContact O-C 3.24Å; D274-H277 WeakPolarHBondContact O-CA 3.4Å; D274-H277 WeakPolarHBondContact O-CB 3.35Å; D274-H277 PolarHBondContact O-N 3.48Å; D274-E278 PolarHBondContact O-N 2.69Å |
| 275 | L | 69.8 | Low | 71.4 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 38% | 0.382 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.3 | -31.1 | 177.1 | -167.4 | 151 | 0 | 0 | 0 | 112.3 | L271 Q279 | L271-L275 WeakPolarHBondContact O-CB 3.46Å; L271-L275 PolarHBondContact O-N 3.48Å; L275-Q279 HydrophobicContact CD2-CG 4.31Å; L275-Q279 WeakPolarHBondContact O-CB 3.36Å; L275-Q279 WeakPolarHBondContact O-CG 2.94Å; L275-Q279 PolarHBondContact O-N 2.92Å |
| 276 | S | 74.3 | Confident | 71.3 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.014 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.1 | -51.7 | 166.3 | 174 | 0 | 0 | 0 | 0 | 109.8 | K272 K273 D274 E278 Q279 S280 Y1363 R1812 | K272-S276 WeakPolarHBondContact O-CA 3.18Å; K272-S276 WeakPolarHBondContact O-CB 3Å; K272-S276 PolarHBondContact O-N 2.71Å; K273-S276 WeakPolarHBondContact O-CB 3.44Å; D274-S276 VanDerWaalsContact C-N 3.29Å; D274-S276 PolarHBondContact O-N 2.76Å; S276-E278 PolarHBondContact O-N 2.61Å; S276-Q279 CarbonylContact O-C 3.57Å; S276-Q279 PolarHBondContact O-N 3.09Å; S276-S280 WeakPolarHBondContact O-CB 3.37Å; S276-S280 PolarHBondContact O-N 2.89Å; S276-Y1363 PolarHBondContact O-OH 2.92Å; S276-Y1363 WeakPolarHBondContact OG-CE1 3.12Å; S276-Y1363 WeakPolarHBondContact OG-CE2 3.41Å; S276-Y1363 PolarHBondContact OG-OH 2.97Å; S276-R1812 PolarHBondContact OG-NH1 2.75Å; S276-R1812 PolarHBondContact OG-NH2 3.47Å |
| 277 | H | 74.3 | Confident | 71 | Confident | 99 Ų | 99 | 69.8 Ų | 69.8 | 46% | 0.458 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.3 | -37.3 | 179.9 | -167.9 | 64.7 | 0 | 0 | 0 | 112.6 | K273 D274 S280 Q281 | K273-H277 VanDerWaalsContact O-CB 3.27Å; K273-H277 WeakPolarHBondContact O-CB 3.43Å; K273-H277 PolarHBondContact O-N 2.66Å; D274-H277 CarbonylContact O-C 3.24Å; D274-H277 WeakPolarHBondContact O-CA 3.4Å; D274-H277 WeakPolarHBondContact O-CB 3.35Å; D274-H277 PolarHBondContact O-N 3.48Å; H277-S280 PolarHBondContact ND1-OG 2.64Å; H277-S280 CarbonylContact O-C 3.5Å; H277-S280 WeakPolarHBondContact O-CA 2.94Å; H277-S280 WeakPolarHBondContact O-CB 3.31Å; H277-S280 PolarHBondContact O-N 2.76Å; H277-S280 VanDerWaalsContact O-N 3.09Å; H277-S280 PolarHBondContact O-OG 2.64Å; H277-Q281 PolarHBondContact CD2-NE2 2.67Å; H277-Q281 VanDerWaalsContact CD2-NE2 3.27Å; H277-Q281 PolarHBondContact NE2-NE2 3.01Å; H277-Q281 WeakPolarHBondContact O-CG 3.06Å; H277-Q281 PolarHBondContact O-N 3.41Å |
| 278 | E | 69.4 | Low | 70.8 | Confident | 132 Ų | 132 | 70.3 Ų | 70.3 | 62% | 0.617 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.8 | -49.6 | 170.5 | -70.6 | -174.2 | 145.1 | 0 | 0 | 112 | D274 S276 S280 Q281 L282 | D274-E278 PolarHBondContact O-N 2.69Å; S276-E278 PolarHBondContact O-N 2.61Å; E278-S280 PolarHBondContact O-N 3.26Å; E278-Q281 PolarHBondContact O-N 2.86Å; E278-L282 VanDerWaalsContact O-CB 3.27Å; E278-L282 WeakPolarHBondContact O-CB 3.38Å; E278-L282 PolarHBondContact O-N 3.34Å |
| 279 | Q | 64.2 | Low | 70.7 | Confident | 40 Ų | 40 | 75.2 Ų | 75.2 | 19% | 0.187 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.3 | -30 | 170.5 | -77 | -167.3 | 20 | 0 | 0 | 111.6 | L275 S276 N283 C1364 | L275-Q279 HydrophobicContact CD2-CG 4.31Å; L275-Q279 WeakPolarHBondContact O-CB 3.36Å; L275-Q279 WeakPolarHBondContact O-CG 2.94Å; L275-Q279 PolarHBondContact O-N 2.92Å; S276-Q279 CarbonylContact O-C 3.57Å; S276-Q279 PolarHBondContact O-N 3.09Å; Q279-N283 WeakPolarHBondContact O-CB 3.3Å; Q279-N283 VanDerWaalsContact O-CG 3.26Å; Q279-N283 PolarHBondContact O-N 3.13Å; Q279-N283 PolarHBondContact O-ND2 2.73Å; Q279-N283 VanDerWaalsContact O-ND2 3.15Å; Q279-C1364 VanDerWaalsContact C-SG 3.58Å; Q279-C1364 HydrophobicContact CB-CB 4.41Å; Q279-C1364 PolarHBondContact O-SG 2.92Å |
| 280 | S | 73.4 | Confident | 70.8 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.7 | -51.3 | 177.1 | 107.9 | 0 | 0 | 0 | 0 | 111.5 | S276 H277 E278 N283 E284 Y1363 C1364 R1367 | S276-S280 WeakPolarHBondContact O-CB 3.37Å; S276-S280 PolarHBondContact O-N 2.89Å; H277-S280 PolarHBondContact ND1-OG 2.64Å; H277-S280 CarbonylContact O-C 3.5Å; H277-S280 WeakPolarHBondContact O-CA 2.94Å; H277-S280 WeakPolarHBondContact O-CB 3.31Å; H277-S280 PolarHBondContact O-N 2.76Å; H277-S280 VanDerWaalsContact O-N 3.09Å; H277-S280 PolarHBondContact O-OG 2.64Å; E278-S280 PolarHBondContact O-N 3.26Å; S280-N283 PolarHBondContact O-N 2.81Å; S280-E284 VanDerWaalsContact O-CB 3.25Å; S280-E284 WeakPolarHBondContact O-CB 3.34Å; S280-E284 PolarHBondContact O-N 3.32Å; S280-Y1363 WeakPolarHBondContact CB-OH 3.39Å; S280-C1364 WeakPolarHBondContact CA-SG 3.2Å; S280-C1364 PolarHBondContact N-SG 2.72Å; S280-R1367 VanDerWaalsContact CA-CD 3.5Å; S280-R1367 WeakPolarHBondContact O-CD 2.96Å; S280-R1367 PolarHBondContact O-NE 3.15Å; S280-R1367 PolarHBondContact OG-NH2 2.6Å |
| 281 | Q | 62.4 | Low | 70.7 | Confident | 107 Ų | 107 | 74.7 Ų | 74.7 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 176.6 | -63.6 | 179.7 | 16 | 0 | 0 | 111.5 | H277 E278 E284 T285 | H277-Q281 PolarHBondContact CD2-NE2 2.67Å; H277-Q281 VanDerWaalsContact CD2-NE2 3.27Å; H277-Q281 PolarHBondContact NE2-NE2 3.01Å; H277-Q281 WeakPolarHBondContact O-CG 3.06Å; H277-Q281 PolarHBondContact O-N 3.41Å; E278-Q281 PolarHBondContact O-N 2.86Å; Q281-E284 PolarHBondContact O-N 3.41Å; Q281-T285 WeakPolarHBondContact O-CG2 3.13Å; Q281-T285 PolarHBondContact O-N 2.71Å; Q281-T285 PolarHBondContact O-OG1 3.17Å |
| 282 | L | 72.2 | Confident | 70.6 | Confident | 103 Ų | 103 | 74 Ų | 74 | 54% | 0.539 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 176.6 | -179.2 | 61.9 | 0 | 0 | 0 | 111.9 | E278 T285 L286 | E278-L282 VanDerWaalsContact O-CB 3.27Å; E278-L282 WeakPolarHBondContact O-CB 3.38Å; E278-L282 PolarHBondContact O-N 3.34Å; L282-T285 WeakPolarHBondContact CA-OG1 3.03Å; L282-T285 PolarHBondContact O-OG1 2.83Å; L282-L286 VanDerWaalsContact O-CB 3.32Å; L282-L286 WeakPolarHBondContact O-CB 3.49Å; L282-L286 PolarHBondContact O-N 3.01Å |
| 283 | N | 73.3 | Confident | 70.5 | Confident | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.1 | -34.5 | 175.2 | -79.4 | -34 | 0 | 0 | 0 | 112.1 | Q279 S280 T285 L286 H287 C1364 R1367 L1368 R1809 | Q279-N283 WeakPolarHBondContact O-CB 3.3Å; Q279-N283 VanDerWaalsContact O-CG 3.26Å; Q279-N283 PolarHBondContact O-N 3.13Å; Q279-N283 PolarHBondContact O-ND2 2.73Å; Q279-N283 VanDerWaalsContact O-ND2 3.15Å; S280-N283 PolarHBondContact O-N 2.81Å; N283-T285 VanDerWaalsContact C-N 3.35Å; N283-L286 CarbonylContact O-C 3.12Å; N283-L286 PolarHBondContact O-N 3.14Å; N283-H287 WeakPolarHBondContact O-CA 3.29Å; N283-H287 WeakPolarHBondContact O-CB 3.24Å; N283-H287 PolarHBondContact O-N 2.95Å; N283-C1364 VanDerWaalsContact ND2-CB 3.27Å; N283-C1364 WeakPolarHBondContact ND2-CB 3.16Å; N283-C1364 PolarHBondContact ND2-O 2.96Å; N283-C1364 PolarHBondContact ND2-SG 2.78Å; N283-C1364 VanDerWaalsContact ND2-SG 3.41Å; N283-R1367 HydrophobicContact CB-CB 3.96Å; N283-R1367 HydrophobicContact CB-CG 4.14Å; N283-L1368 HydrophobicContact CB-CD2 4.18Å; N283-L1368 HydrophobicContact CB-CG 4.15Å; N283-L1368 WeakPolarHBondContact OD1-CD1 3.48Å; N283-L1368 VanDerWaalsContact OD1-CG 3.3Å; N283-L1368 WeakPolarHBondContact OD1-CG 3.17Å; N283-R1809 PolarHBondContact ND2-NH1 2.99Å |
| 284 | E | 68.8 | Low | 70.3 | Confident | 58 Ų | 58 | 74.2 Ų | 74.2 | 27% | 0.271 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.8 | -33 | 177.3 | -163.2 | 148.2 | -138.9 | 0 | 0 | 111.8 | S280 Q281 H287 K288 R1367 R1820 | S280-E284 VanDerWaalsContact O-CB 3.25Å; S280-E284 WeakPolarHBondContact O-CB 3.34Å; S280-E284 PolarHBondContact O-N 3.32Å; Q281-E284 PolarHBondContact O-N 3.41Å; E284-H287 PolarHBondContact O-N 2.89Å; E284-K288 WeakPolarHBondContact O-CG 3.21Å; E284-K288 PolarHBondContact O-N 2.77Å; E284-R1367 IonicContact OE1-NH2 3.59Å; E284-R1367 IonicContact OE2-CZ 3.8Å; E284-R1367 IonicContact OE2-NE 3.16Å; E284-R1367 IonicContact OE2-NH2 2.85Å; E284-R1367 PolarHBondContact OE2-NH2 2.75Å; E284-R1820 IonicContact OE1-CZ 2.62Å; E284-R1820 IonicContact OE1-NH1 2.72Å; E284-R1820 IonicContact OE1-NH2 2.75Å; E284-R1820 PolarHBondContact OE1-NH2 2.72Å; E284-R1820 IonicContact OE2-NH2 3.4Å |
| 285 | T | 67 | Low | 70.8 | Confident | 72 Ų | 72 | 75.2 Ų | 75.2 | 44% | 0.442 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -75.2 | -38.4 | 168.7 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | Q281 L282 N283 H287 K288 R289 | Q281-T285 WeakPolarHBondContact O-CG2 3.13Å; Q281-T285 PolarHBondContact O-N 2.71Å; Q281-T285 PolarHBondContact O-OG1 3.17Å; L282-T285 WeakPolarHBondContact CA-OG1 3.03Å; L282-T285 PolarHBondContact O-OG1 2.83Å; N283-T285 VanDerWaalsContact C-N 3.35Å; T285-H287 PolarHBondContact O-N 2.83Å; T285-K288 PolarHBondContact O-N 3.08Å; T285-R289 WeakPolarHBondContact O-CB 3.38Å; T285-R289 WeakPolarHBondContact O-CG 3.43Å; T285-R289 PolarHBondContact O-N 3.1Å |
| 286 | L | 71.6 | Confident | 71 | Confident | 71 Ų | 71 | 75.6 Ų | 75.6 | 37% | 0.372 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.5 | -29.9 | 167.4 | -100.9 | 167.6 | 0 | 0 | 0 | 112.2 | L282 N283 K290 | L282-L286 VanDerWaalsContact O-CB 3.32Å; L282-L286 WeakPolarHBondContact O-CB 3.49Å; L282-L286 PolarHBondContact O-N 3.01Å; N283-L286 CarbonylContact O-C 3.12Å; N283-L286 PolarHBondContact O-N 3.14Å; L286-K290 WeakPolarHBondContact O-CB 3.41Å; L286-K290 WeakPolarHBondContact O-CG 3.22Å; L286-K290 PolarHBondContact O-N 3.09Å |
| 287 | H | 69.2 | Low | 70.9 | Confident | 21 Ų | 21 | 78.1 Ų | 78.1 | 10% | 0.097 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -79.3 | -40.6 | -180 | -156.1 | -103.2 | 0 | 0 | 0 | 111.9 | N283 E284 T285 K290 L291 T1371 L1375 | N283-H287 WeakPolarHBondContact O-CA 3.29Å; N283-H287 WeakPolarHBondContact O-CB 3.24Å; N283-H287 PolarHBondContact O-N 2.95Å; E284-H287 PolarHBondContact O-N 2.89Å; T285-H287 PolarHBondContact O-N 2.83Å; H287-K290 PolarHBondContact O-N 2.87Å; H287-L291 WeakPolarHBondContact O-CB 3.25Å; H287-L291 PolarHBondContact O-N 3.29Å; H287-T1371 PolarHBondContact CD2-OG1 2.96Å; H287-T1371 PolarHBondContact NE2-O 3.31Å; H287-L1375 WeakPolarHBondContact NE2-CA 3.46Å; H287-L1375 WeakPolarHBondContact NE2-CB 3.33Å; H287-L1375 WeakPolarHBondContact NE2-CG 3.31Å; H287-L1375 PolarHBondContact NE2-N 2.93Å |
| 288 | K | 70.9 | Confident | 70.8 | Confident | 128 Ų | 128 | 77.2 Ų | 77.2 | 56% | 0.557 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -57.3 | -49.1 | 165.5 | -73 | 170.4 | -178.2 | -179.5 | 0 | 110.2 | E284 T285 K290 L291 E292 | E284-K288 WeakPolarHBondContact O-CG 3.21Å; E284-K288 PolarHBondContact O-N 2.77Å; T285-K288 PolarHBondContact O-N 3.08Å; K288-K290 VanDerWaalsContact C-N 3.29Å; K288-K290 PolarHBondContact O-N 2.98Å; K288-L291 CarbonylContact O-C 3.57Å; K288-L291 PolarHBondContact O-N 2.72Å; K288-L291 VanDerWaalsContact O-N 3.11Å; K288-E292 VanDerWaalsContact O-CB 3.29Å; K288-E292 WeakPolarHBondContact O-CB 3.4Å; K288-E292 WeakPolarHBondContact O-CG 3.25Å; K288-E292 PolarHBondContact O-N 2.86Å |
| 289 | R | 70.3 | Confident | 70.8 | Confident | 166 Ų | 166 | 75 Ų | 75 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.8 | -33.1 | 172.6 | -77.8 | -176.4 | 176.2 | -178.9 | -0.1 | 114.3 | T285 E292 N293 | T285-R289 WeakPolarHBondContact O-CB 3.38Å; T285-R289 WeakPolarHBondContact O-CG 3.43Å; T285-R289 PolarHBondContact O-N 3.1Å; R289-E292 WeakPolarHBondContact CA-OE2 3.44Å; R289-N293 WeakPolarHBondContact O-CB 3.26Å; R289-N293 PolarHBondContact O-N 2.74Å; R289-N293 PolarHBondContact O-OD1 2.88Å |
| 290 | K | 74.9 | Confident | 71 | Confident | 80 Ų | 80 | 78.3 Ų | 78.3 | 35% | 0.348 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -72.7 | -42 | 173.3 | -81.2 | -179 | 179.2 | -174.8 | 0 | 112 | L286 H287 K288 E292 N293 D294 L1372 L1375 | L286-K290 WeakPolarHBondContact O-CB 3.41Å; L286-K290 WeakPolarHBondContact O-CG 3.22Å; L286-K290 PolarHBondContact O-N 3.09Å; H287-K290 PolarHBondContact O-N 2.87Å; K288-K290 VanDerWaalsContact C-N 3.29Å; K288-K290 PolarHBondContact O-N 2.98Å; K290-E292 VanDerWaalsContact C-N 3.32Å; K290-N293 CarbonylContact O-C 3.01Å; K290-N293 PolarHBondContact O-N 2.58Å; K290-D294 VanDerWaalsContact O-CB 3.26Å; K290-D294 WeakPolarHBondContact O-CB 3.35Å; K290-D294 PolarHBondContact O-N 2.78Å; K290-L1372 HydrophobicContact CD-CD1 3.58Å; K290-L1375 HydrophobicContact CB-CD1 3.83Å |
| 291 | L | 73.1 | Confident | 70.7 | Confident | 66 Ų | 66 | 84.1 Ų | 84.1 | 35% | 0.346 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.9 | -32.5 | 177.1 | -160.3 | 153 | 0 | 0 | 0 | 111.2 | H287 K288 L295 L1375 | H287-L291 WeakPolarHBondContact O-CB 3.25Å; H287-L291 PolarHBondContact O-N 3.29Å; K288-L291 CarbonylContact O-C 3.57Å; K288-L291 PolarHBondContact O-N 2.72Å; K288-L291 VanDerWaalsContact O-N 3.11Å; L291-L295 WeakPolarHBondContact O-CB 3.25Å; L291-L295 PolarHBondContact O-N 2.92Å; L291-L1375 HydrophobicContact CB-CD1 4.42Å; L291-L1375 HydrophobicContact CB-CD2 4.29Å; L291-L1375 HydrophobicContact CB-CG 4.39Å; L291-L1375 HydrophobicContact CD1-CD2 4.04Å; L291-L1375 HydrophobicContact CD1-CG 4.23Å; L291-L1375 HydrophobicContact CG-CD2 4Å; L291-L1375 HydrophobicContact CG-CG 4.46Å |
| 292 | E | 70.5 | Confident | 71.1 | Confident | 99 Ų | 99 | 83.1 Ų | 83.1 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 167.1 | -72.1 | 157.8 | -172 | 0 | 0 | 111.2 | K288 R289 K290 L295 I296 | K288-E292 VanDerWaalsContact O-CB 3.29Å; K288-E292 WeakPolarHBondContact O-CB 3.4Å; K288-E292 WeakPolarHBondContact O-CG 3.25Å; K288-E292 PolarHBondContact O-N 2.86Å; R289-E292 WeakPolarHBondContact CA-OE2 3.44Å; K290-E292 VanDerWaalsContact C-N 3.32Å; E292-L295 CarbonylContact O-C 3.57Å; E292-L295 PolarHBondContact O-N 3.4Å; E292-I296 WeakPolarHBondContact O-CB 2.85Å; E292-I296 WeakPolarHBondContact O-CD1 3.33Å; E292-I296 WeakPolarHBondContact O-CG1 3.24Å; E292-I296 PolarHBondContact O-N 2.83Å |
| 293 | N | 71.4 | Confident | 71.1 | Confident | 91 Ų | 91 | 82.6 Ų | 82.6 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70 | -33.7 | 177.6 | -76.1 | 4.8 | 0 | 0 | 0 | 113.2 | R289 K290 I296 S297 | R289-N293 WeakPolarHBondContact O-CB 3.26Å; R289-N293 PolarHBondContact O-N 2.74Å; R289-N293 PolarHBondContact O-OD1 2.88Å; K290-N293 CarbonylContact O-C 3.01Å; K290-N293 PolarHBondContact O-N 2.58Å; N293-I296 PolarHBondContact O-N 3.04Å; N293-S297 VanDerWaalsContact O-CB 3.27Å; N293-S297 WeakPolarHBondContact O-CB 3.23Å; N293-S297 PolarHBondContact O-N 2.87Å; N293-S297 PolarHBondContact O-OG 3.14Å |
| 294 | D | 70.4 | Confident | 70.8 | Confident | 69 Ų | 69 | 88 Ų | 88 | 37% | 0.369 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71 | -38.9 | 173 | -70.2 | -23.7 | 0 | 0 | 0 | 109.2 | K290 H298 L1375 | K290-D294 VanDerWaalsContact O-CB 3.26Å; K290-D294 WeakPolarHBondContact O-CB 3.35Å; K290-D294 PolarHBondContact O-N 2.78Å; D294-H298 WeakPolarHBondContact O-CB 3.46Å; D294-H298 PolarHBondContact O-N 2.84Å; D294-L1375 WeakPolarHBondContact OD2-CD1 3.07Å |
| 295 | L | 75.3 | Confident | 70.9 | Confident | 101 Ų | 101 | 87.9 Ų | 87.9 | 53% | 0.529 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 171.3 | 178.4 | 62.5 | 0 | 0 | 0 | 111.8 | L291 E292 L299 | L291-L295 WeakPolarHBondContact O-CB 3.25Å; L291-L295 PolarHBondContact O-N 2.92Å; E292-L295 CarbonylContact O-C 3.57Å; E292-L295 PolarHBondContact O-N 3.4Å; L295-L299 HydrophobicContact CD1-CD1 4.12Å; L295-L299 HydrophobicContact CD1-CG 4.25Å; L295-L299 HydrophobicContact CG-CD1 3.98Å; L295-L299 WeakPolarHBondContact O-CB 3.38Å; L295-L299 WeakPolarHBondContact O-CD1 3.36Å; L295-L299 WeakPolarHBondContact O-CG 3.42Å; L295-L299 PolarHBondContact O-N 3Å |
| 296 | I | 73.7 | Confident | 71.1 | Confident | 81 Ų | 81 | 88 Ų | 88 | 42% | 0.415 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.9 | -53.5 | 174.3 | -73.5 | 161 | 0 | 0 | 0 | 109.4 | E292 N293 H298 L299 E300 | E292-I296 WeakPolarHBondContact O-CB 2.85Å; E292-I296 WeakPolarHBondContact O-CD1 3.33Å; E292-I296 WeakPolarHBondContact O-CG1 3.24Å; E292-I296 PolarHBondContact O-N 2.83Å; N293-I296 PolarHBondContact O-N 3.04Å; I296-H298 PolarHBondContact O-N 2.82Å; I296-L299 CarbonylContact O-C 2.9Å; I296-L299 WeakPolarHBondContact O-CA 3.42Å; I296-L299 WeakPolarHBondContact O-CB 3.24Å; I296-L299 PolarHBondContact O-N 2.76Å; I296-E300 HydrophobicContact CG2-CG 4.17Å; I296-E300 WeakPolarHBondContact CG2-OE1 3.38Å; I296-E300 WeakPolarHBondContact O-CB 3.12Å; I296-E300 VanDerWaalsContact O-CG 3.31Å; I296-E300 WeakPolarHBondContact O-CG 2.93Å; I296-E300 PolarHBondContact O-N 3.5Å |
| 297 | S | 73 | Confident | 71.2 | Confident | 56 Ų | 56 | 88.1 Ų | 88.1 | 39% | 0.392 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.3 | -36 | 178.9 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | N293 E300 E301 | N293-S297 VanDerWaalsContact O-CB 3.27Å; N293-S297 WeakPolarHBondContact O-CB 3.23Å; N293-S297 PolarHBondContact O-N 2.87Å; N293-S297 PolarHBondContact O-OG 3.14Å; S297-E300 WeakPolarHBondContact O-CB 3.08Å; S297-E300 PolarHBondContact O-N 3.47Å; S297-E301 WeakPolarHBondContact O-CB 3.19Å; S297-E301 WeakPolarHBondContact O-CG 3.45Å; S297-E301 PolarHBondContact O-N 3.31Å |
| 298 | H | 72.6 | Confident | 71 | Confident | 80 Ų | 80 | 91.5 Ų | 91.5 | 37% | 0.37 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -81.4 | -23.5 | 177.5 | -151.5 | 32.8 | 0 | 0 | 0 | 112.6 | D294 I296 E301 E302 R1386 | D294-H298 WeakPolarHBondContact O-CB 3.46Å; D294-H298 PolarHBondContact O-N 2.84Å; I296-H298 PolarHBondContact O-N 2.82Å; H298-E301 IonicContact CE1-OE2 3.75Å; H298-E301 PolarHBondContact CE1-OE2 3.23Å; H298-E301 IonicContact CG-OE2 3.11Å; H298-E301 IonicContact ND1-OE2 3.89Å; H298-E301 PolarHBondContact ND1-OE2 2.67Å; H298-E302 WeakPolarHBondContact O-CB 2.94Å; H298-E302 PolarHBondContact O-N 3.28Å; H298-R1386 PolarHBondContact CD2-NH2 2.67Å; H298-R1386 PolarHBondContact NE2-NH1 2.79Å; H298-R1386 PolarHBondContact NE2-NH2 3.47Å |
| 299 | L | 68.9 | Low | 71 | Confident | 84 Ų | 84 | 90 Ų | 90 | 44% | 0.44 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -75.1 | -28.5 | 164.4 | -78.2 | 168 | 0 | 0 | 0 | 112 | L295 I296 E302 L303 | L295-L299 HydrophobicContact CD1-CD1 4.12Å; L295-L299 HydrophobicContact CD1-CG 4.25Å; L295-L299 HydrophobicContact CG-CD1 3.98Å; L295-L299 WeakPolarHBondContact O-CB 3.38Å; L295-L299 WeakPolarHBondContact O-CD1 3.36Å; L295-L299 WeakPolarHBondContact O-CG 3.42Å; L295-L299 PolarHBondContact O-N 3Å; I296-L299 CarbonylContact O-C 2.9Å; I296-L299 WeakPolarHBondContact O-CA 3.42Å; I296-L299 WeakPolarHBondContact O-CB 3.24Å; I296-L299 PolarHBondContact O-N 2.76Å; L299-E302 CarbonylContact O-C 2.62Å; L299-L303 WeakPolarHBondContact O-CA 3.25Å; L299-L303 WeakPolarHBondContact O-CB 3.2Å; L299-L303 PolarHBondContact O-N 3.36Å |
| 300 | E | 67.6 | Low | 71 | Confident | 110 Ų | 110 | 84.9 Ų | 84.9 | 51% | 0.514 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -75.4 | -38.4 | 173 | -74.5 | 171.5 | 169.1 | 0 | 0 | 110.5 | I296 S297 L303 H304 | I296-E300 HydrophobicContact CG2-CG 4.17Å; I296-E300 WeakPolarHBondContact CG2-OE1 3.38Å; I296-E300 WeakPolarHBondContact O-CB 3.12Å; I296-E300 VanDerWaalsContact O-CG 3.31Å; I296-E300 WeakPolarHBondContact O-CG 2.93Å; I296-E300 PolarHBondContact O-N 3.5Å; S297-E300 WeakPolarHBondContact O-CB 3.08Å; S297-E300 PolarHBondContact O-N 3.47Å; E300-L303 PolarHBondContact O-N 2.76Å; E300-H304 WeakPolarHBondContact O-CB 3.24Å; E300-H304 PolarHBondContact O-N 3.44Å |
| 301 | E | 67.4 | Low | 70.8 | Confident | 122 Ų | 122 | 87.1 Ų | 87.1 | 57% | 0.57 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -65.4 | -42.5 | 166.6 | -76 | 178.3 | 162.9 | 0 | 0 | 111 | S297 H298 L303 A305 | S297-E301 WeakPolarHBondContact O-CB 3.19Å; S297-E301 WeakPolarHBondContact O-CG 3.45Å; S297-E301 PolarHBondContact O-N 3.31Å; H298-E301 IonicContact CE1-OE2 3.75Å; H298-E301 PolarHBondContact CE1-OE2 3.23Å; H298-E301 IonicContact CG-OE2 3.11Å; H298-E301 IonicContact ND1-OE2 3.89Å; H298-E301 PolarHBondContact ND1-OE2 2.67Å; E301-L303 VanDerWaalsContact C-N 3.3Å; E301-L303 PolarHBondContact O-N 3.21Å; E301-A305 WeakPolarHBondContact O-CA 3.38Å; E301-A305 WeakPolarHBondContact O-CB 3.4Å; E301-A305 PolarHBondContact O-N 3.01Å |
| 302 | E | 70.9 | Confident | 70.7 | Confident | 86 Ų | 86 | 88.8 Ų | 88.8 | 40% | 0.402 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.2 | -29.7 | 175.9 | -154 | -153 | -173 | 0 | 0 | 111.7 | H298 L299 K306 | H298-E302 WeakPolarHBondContact O-CB 2.94Å; H298-E302 PolarHBondContact O-N 3.28Å; L299-E302 CarbonylContact O-C 2.62Å; E302-K306 HydrophobicContact CG-CD 4.49Å; E302-K306 VanDerWaalsContact O-CB 3.25Å; E302-K306 WeakPolarHBondContact O-CB 3.01Å; E302-K306 VanDerWaalsContact O-CD 3.24Å; E302-K306 WeakPolarHBondContact O-CD 3.27Å; E302-K306 WeakPolarHBondContact O-CG 3.2Å; E302-K306 PolarHBondContact O-N 3.23Å; E302-K306 WeakPolarHBondContact OE1-CE 3.27Å; E302-K306 IonicContact OE1-NZ 3.87Å; E302-K306 PolarHBondContact OE1-NZ 3.14Å; E302-K306 IonicContact OE2-NZ 3.12Å; E302-K306 PolarHBondContact OE2-NZ 2.8Å |
| 303 | L | 71.9 | Confident | 70.7 | Confident | 92 Ų | 92 | 85.1 Ų | 85.1 | 48% | 0.482 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -72.9 | -53.7 | 173.2 | -174.9 | 70.1 | 0 | 0 | 0 | 109.9 | L299 E300 E301 A305 K306 D307 | L299-L303 WeakPolarHBondContact O-CA 3.25Å; L299-L303 WeakPolarHBondContact O-CB 3.2Å; L299-L303 PolarHBondContact O-N 3.36Å; E300-L303 PolarHBondContact O-N 2.76Å; E301-L303 VanDerWaalsContact C-N 3.3Å; E301-L303 PolarHBondContact O-N 3.21Å; L303-A305 VanDerWaalsContact C-N 3.26Å; L303-A305 PolarHBondContact O-N 2.67Å; L303-K306 CarbonylContact O-C 3.48Å; L303-K306 VanDerWaalsContact O-CA 3.29Å; L303-K306 WeakPolarHBondContact O-CA 3.34Å; L303-K306 WeakPolarHBondContact O-CB 3.33Å; L303-K306 PolarHBondContact O-N 3.2Å; L303-D307 WeakPolarHBondContact CG-OD2 3.37Å; L303-D307 WeakPolarHBondContact O-CB 3.03Å; L303-D307 PolarHBondContact O-N 2.79Å |
| 304 | H | 67.6 | Low | 70.4 | Confident | 115 Ų | 115 | 82.1 Ų | 82.1 | 53% | 0.532 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.7 | -32 | 177.1 | -166.2 | -18.8 | 0 | 0 | 0 | 111.9 | E300 D307 N308 | E300-H304 WeakPolarHBondContact O-CB 3.24Å; E300-H304 PolarHBondContact O-N 3.44Å; H304-D307 PolarHBondContact O-N 3.21Å; H304-N308 PolarHBondContact CE1-ND2 2.72Å; H304-N308 PolarHBondContact CE1-OD1 2.73Å; H304-N308 PolarHBondContact ND1-ND2 2.77Å; H304-N308 PolarHBondContact ND1-OD1 2.66Å; H304-N308 WeakPolarHBondContact O-CB 3.04Å; H304-N308 PolarHBondContact O-N 3.28Å; H304-N308 PolarHBondContact O-ND2 3.35Å |
| 305 | A | 71.6 | Confident | 70.5 | Confident | 56 Ų | 56 | 82.6 Ų | 82.6 | 46% | 0.463 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.5 | -40.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E301 L303 D307 L309 | E301-A305 WeakPolarHBondContact O-CA 3.38Å; E301-A305 WeakPolarHBondContact O-CB 3.4Å; E301-A305 PolarHBondContact O-N 3.01Å; L303-A305 VanDerWaalsContact C-N 3.26Å; L303-A305 PolarHBondContact O-N 2.67Å; A305-D307 VanDerWaalsContact C-N 3.34Å; A305-L309 WeakPolarHBondContact O-CB 3.36Å; A305-L309 PolarHBondContact O-N 2.76Å |
| 306 | K | 70.6 | Confident | 70.1 | Confident | 74 Ų | 74 | 79 Ų | 79 | 32% | 0.322 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.8 | -28.5 | 172.3 | -78.3 | 164 | -169 | 170.5 | 0 | 113.1 | E302 L303 L310 | E302-K306 HydrophobicContact CG-CD 4.49Å; E302-K306 VanDerWaalsContact O-CB 3.25Å; E302-K306 WeakPolarHBondContact O-CB 3.01Å; E302-K306 VanDerWaalsContact O-CD 3.24Å; E302-K306 WeakPolarHBondContact O-CD 3.27Å; E302-K306 WeakPolarHBondContact O-CG 3.2Å; E302-K306 PolarHBondContact O-N 3.23Å; E302-K306 WeakPolarHBondContact OE1-CE 3.27Å; E302-K306 IonicContact OE1-NZ 3.87Å; E302-K306 PolarHBondContact OE1-NZ 3.14Å; E302-K306 IonicContact OE2-NZ 3.12Å; E302-K306 PolarHBondContact OE2-NZ 2.8Å; L303-K306 CarbonylContact O-C 3.48Å; L303-K306 VanDerWaalsContact O-CA 3.29Å; L303-K306 WeakPolarHBondContact O-CA 3.34Å; L303-K306 WeakPolarHBondContact O-CB 3.33Å; L303-K306 PolarHBondContact O-N 3.2Å; K306-L310 WeakPolarHBondContact O-CA 2.91Å; K306-L310 WeakPolarHBondContact O-CB 3.26Å; K306-L310 PolarHBondContact O-N 3.4Å |
| 307 | D | 72.4 | Confident | 69.8 | Low | 74 Ų | 74 | 75.9 Ų | 75.9 | 40% | 0.396 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -85.1 | -37.2 | 179.9 | -65.5 | -20.3 | 0 | 0 | 0 | 111 | L303 H304 A305 L310 H311 | L303-D307 WeakPolarHBondContact CG-OD2 3.37Å; L303-D307 WeakPolarHBondContact O-CB 3.03Å; L303-D307 PolarHBondContact O-N 2.79Å; H304-D307 PolarHBondContact O-N 3.21Å; A305-D307 VanDerWaalsContact C-N 3.34Å; D307-L310 CarbonylContact O-C 3.52Å; D307-L310 PolarHBondContact O-N 2.73Å; D307-H311 WeakPolarHBondContact O-CA 3.24Å; D307-H311 WeakPolarHBondContact O-CB 3.35Å; D307-H311 PolarHBondContact O-N 2.76Å |
| 308 | N | 67 | Low | 69.6 | Low | 91 Ų | 91 | 75 Ų | 75 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 166 | -74.7 | -19.1 | 0 | 0 | 0 | 110.2 | H304 H311 L312 | H304-N308 PolarHBondContact CE1-ND2 2.72Å; H304-N308 PolarHBondContact CE1-OD1 2.73Å; H304-N308 PolarHBondContact ND1-ND2 2.77Å; H304-N308 PolarHBondContact ND1-OD1 2.66Å; H304-N308 WeakPolarHBondContact O-CB 3.04Å; H304-N308 PolarHBondContact O-N 3.28Å; H304-N308 PolarHBondContact O-ND2 3.35Å; N308-H311 PolarHBondContact O-N 2.8Å; N308-L312 VanDerWaalsContact O-CB 3.31Å; N308-L312 WeakPolarHBondContact O-CB 3.06Å; N308-L312 PolarHBondContact O-N 3.49Å |
| 309 | L | 70.3 | Confident | 69.5 | Low | 97 Ų | 97 | 74.7 Ų | 74.7 | 51% | 0.508 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.3 | -38.7 | 177.4 | -167.6 | 151.5 | 0 | 0 | 0 | 110.1 | A305 K313 | A305-L309 WeakPolarHBondContact O-CB 3.36Å; A305-L309 PolarHBondContact O-N 2.76Å; L309-K313 HydrophobicContact CD2-CD 3.54Å; L309-K313 HydrophobicContact CD2-CG 4Å; L309-K313 WeakPolarHBondContact O-CA 3.37Å; L309-K313 WeakPolarHBondContact O-CB 2.97Å; L309-K313 WeakPolarHBondContact O-CG 2.92Å; L309-K313 PolarHBondContact O-N 2.66Å |
| 310 | L | 69.5 | Low | 69.5 | Low | 59 Ų | 59 | 70.8 Ų | 70.8 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.6 | -27.7 | 174.4 | 178.4 | 137.8 | 0 | 0 | 0 | 112.6 | K306 D307 S314 L1660 | K306-L310 WeakPolarHBondContact O-CA 2.91Å; K306-L310 WeakPolarHBondContact O-CB 3.26Å; K306-L310 PolarHBondContact O-N 3.4Å; D307-L310 CarbonylContact O-C 3.52Å; D307-L310 PolarHBondContact O-N 2.73Å; L310-S314 WeakPolarHBondContact O-CA 3.35Å; L310-S314 WeakPolarHBondContact O-CB 3.47Å; L310-S314 PolarHBondContact O-N 3.32Å; L310-S314 PolarHBondContact O-OG 2.92Å; L310-L1660 HydrophobicContact CD1-CD1 4.09Å; L310-L1660 HydrophobicContact CD2-CD1 3.83Å; L310-L1660 HydrophobicContact CG-CD1 4.24Å |
| 311 | H | 70.9 | Confident | 69.3 | Low | 126 Ų | 126 | 65.9 Ų | 65.9 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -72.8 | -53.3 | 171.3 | -177.4 | -56.3 | 0 | 0 | 0 | 109.6 | D307 N308 K313 S314 E315 | D307-H311 WeakPolarHBondContact O-CA 3.24Å; D307-H311 WeakPolarHBondContact O-CB 3.35Å; D307-H311 PolarHBondContact O-N 2.76Å; N308-H311 PolarHBondContact O-N 2.8Å; H311-K313 PolarHBondContact O-N 2.69Å; H311-S314 CarbonylContact O-C 3.59Å; H311-S314 VanDerWaalsContact O-C 3.27Å; H311-S314 WeakPolarHBondContact O-CA 3.15Å; H311-S314 PolarHBondContact O-N 3.24Å; H311-E315 VanDerWaalsContact O-CB 3.31Å; H311-E315 WeakPolarHBondContact O-CB 3.1Å; H311-E315 PolarHBondContact O-N 2.72Å |
| 312 | L | 70.9 | Confident | 69.6 | Low | 101 Ų | 101 | 62.1 Ų | 62.1 | 53% | 0.529 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.9 | -37 | 177.6 | -158.1 | 153.5 | 0 | 0 | 0 | 110.4 | N308 E315 E316 | N308-L312 VanDerWaalsContact O-CB 3.31Å; N308-L312 WeakPolarHBondContact O-CB 3.06Å; N308-L312 PolarHBondContact O-N 3.49Å; L312-E315 CarbonylContact O-C 2.46Å; L312-E315 PolarHBondContact O-N 3.13Å; L312-E316 PolarHBondContact O-N 3.01Å |
| 313 | K | 70.5 | Confident | 69.7 | Low | 22 Ų | 22 | 58.3 Ų | 58.3 | 10% | 0.096 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 169 | -79.7 | -159.2 | 172.9 | 174.9 | 0 | 112.2 | L309 H311 E315 E316 L317 E1650 V1653 R1657 | L309-K313 HydrophobicContact CD2-CD 3.54Å; L309-K313 HydrophobicContact CD2-CG 4Å; L309-K313 WeakPolarHBondContact O-CA 3.37Å; L309-K313 WeakPolarHBondContact O-CB 2.97Å; L309-K313 WeakPolarHBondContact O-CG 2.92Å; L309-K313 PolarHBondContact O-N 2.66Å; H311-K313 PolarHBondContact O-N 2.69Å; K313-E315 PolarHBondContact O-N 3.37Å; K313-E315 VanDerWaalsContact O-N 3.17Å; K313-E316 PolarHBondContact O-N 2.73Å; K313-L317 WeakPolarHBondContact O-CB 3.31Å; K313-L317 PolarHBondContact O-N 3.36Å; K313-E1650 HydrophobicContact CD-CG 4.49Å; K313-E1650 WeakPolarHBondContact CE-OE1 3.35Å; K313-E1650 IonicContact NZ-OE1 2.99Å; K313-E1650 PolarHBondContact NZ-OE1 3.34Å; K313-V1653 HydrophobicContact CB-CG1 4.37Å; K313-V1653 HydrophobicContact CD-CG1 4.13Å; K313-R1657 VanDerWaalsContact C-CD 3.46Å; K313-R1657 WeakPolarHBondContact O-CD 3.08Å; K313-R1657 PolarHBondContact O-NE 2.73Å; K313-R1657 VanDerWaalsContact O-NE 3.17Å; K313-R1657 PolarHBondContact O-NH1 2.86Å; K313-R1657 PolarHBondContact O-NH2 2.92Å |
| 314 | S | 65.4 | Low | 69.3 | Low | 28 Ų | 28 | 59 Ų | 59 | 20% | 0.196 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66 | -9.9 | 171.7 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | L310 H311 L317 A318 | L310-S314 WeakPolarHBondContact O-CA 3.35Å; L310-S314 WeakPolarHBondContact O-CB 3.47Å; L310-S314 PolarHBondContact O-N 3.32Å; L310-S314 PolarHBondContact O-OG 2.92Å; H311-S314 CarbonylContact O-C 3.59Å; H311-S314 VanDerWaalsContact O-C 3.27Å; H311-S314 WeakPolarHBondContact O-CA 3.15Å; H311-S314 PolarHBondContact O-N 3.24Å; S314-L317 CarbonylContact O-C 3.58Å; S314-A318 WeakPolarHBondContact O-CA 2.52Å; S314-A318 WeakPolarHBondContact O-CB 2.96Å; S314-A318 PolarHBondContact O-N 3.01Å |
| 315 | E | 72.1 | Confident | 69.6 | Low | 80 Ų | 80 | 59 Ų | 59 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -102.1 | -21.5 | 175.7 | -151.8 | -149.7 | 136.3 | 0 | 0 | 113 | H311 L312 K313 L317 A318 R319 | H311-E315 VanDerWaalsContact O-CB 3.31Å; H311-E315 WeakPolarHBondContact O-CB 3.1Å; H311-E315 PolarHBondContact O-N 2.72Å; L312-E315 CarbonylContact O-C 2.46Å; L312-E315 PolarHBondContact O-N 3.13Å; K313-E315 PolarHBondContact O-N 3.37Å; K313-E315 VanDerWaalsContact O-N 3.17Å; E315-L317 VanDerWaalsContact C-N 3.33Å; E315-A318 CarbonylContact O-C 2.72Å; E315-A318 WeakPolarHBondContact O-CA 3.3Å; E315-A318 PolarHBondContact O-N 3.17Å; E315-A318 VanDerWaalsContact O-N 3.16Å; E315-R319 WeakPolarHBondContact O-CB 3.04Å; E315-R319 PolarHBondContact O-N 3.34Å; E315-R319 IonicContact OE1-CZ 2.75Å; E315-R319 IonicContact OE1-NE 2.85Å; E315-R319 IonicContact OE1-NH2 3.19Å; E315-R319 PolarHBondContact OE1-NH2 2.96Å; E315-R319 IonicContact OE2-NH2 2.85Å |
| 316 | E | 66.6 | Low | 69.4 | Low | 26 Ų | 26 | 57.8 Ų | 57.8 | 12% | 0.121 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.6 | -40.1 | 153.7 | -65.3 | 165.5 | 166.2 | 0 | 0 | 109.4 | L312 K313 A318 R319 A320 R1657 | L312-E316 PolarHBondContact O-N 3.01Å; K313-E316 PolarHBondContact O-N 2.73Å; E316-A318 PolarHBondContact O-N 2.73Å; E316-R319 PolarHBondContact O-N 2.68Å; E316-A320 VanDerWaalsContact O-CB 3.27Å; E316-A320 WeakPolarHBondContact O-CB 3.33Å; E316-A320 PolarHBondContact O-N 2.93Å; E316-R1657 IonicContact OE2-CZ 2.77Å; E316-R1657 IonicContact OE2-NH1 3.17Å; E316-R1657 IonicContact OE2-NH2 3.5Å; E316-R1657 PolarHBondContact OE2-NH2 3.42Å |
| 317 | L | 67.9 | Low | 69.4 | Low | 14 Ų | 14 | 55.4 Ų | 55.4 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 2.8 | 164.2 | -140.3 | 84.7 | 0 | 0 | 0 | 113.6 | K313 S314 E315 S1654 R1657 A1658 R2603 S2604 | K313-L317 WeakPolarHBondContact O-CB 3.31Å; K313-L317 PolarHBondContact O-N 3.36Å; S314-L317 CarbonylContact O-C 3.58Å; E315-L317 VanDerWaalsContact C-N 3.33Å; L317-S1654 WeakPolarHBondContact CD1-O 3.48Å; L317-R1657 HydrophobicContact CB-CB 3.81Å; L317-R1657 HydrophobicContact CB-CG 4.16Å; L317-R1657 HydrophobicContact CD1-CB 4.34Å; L317-R1657 HydrophobicContact CD2-CB 3.16Å; L317-R1657 HydrophobicContact CD2-CG 4.35Å; L317-R1657 HydrophobicContact CG-CB 3.76Å; L317-A1658 HydrophobicContact CD2-CB 4.2Å; L317-R2603 HydrophobicContact CD1-CB 4.17Å; L317-R2603 HydrophobicContact CD1-CG 3.68Å; L317-R2603 VanDerWaalsContact CD2-N 3.25Å; L317-R2603 CarbonylContact O-C 3.08Å; L317-R2603 WeakPolarHBondContact O-CA 3.27Å; L317-S2604 PolarHBondContact O-N 2.74Å |
| 318 | A | 68.3 | Low | 69 | Low | 39 Ų | 39 | 53.9 Ų | 53.9 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | 29.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S314 E315 E316 S2604 S2605 | S314-A318 WeakPolarHBondContact O-CA 2.52Å; S314-A318 WeakPolarHBondContact O-CB 2.96Å; S314-A318 PolarHBondContact O-N 3.01Å; E315-A318 CarbonylContact O-C 2.72Å; E315-A318 WeakPolarHBondContact O-CA 3.3Å; E315-A318 PolarHBondContact O-N 3.17Å; E315-A318 VanDerWaalsContact O-N 3.16Å; E316-A318 PolarHBondContact O-N 2.73Å; A318-S2604 CarbonylContact C-O 3.59Å; A318-S2604 VanDerWaalsContact CA-C 3.47Å; A318-S2604 WeakPolarHBondContact CA-O 3.37Å; A318-S2604 WeakPolarHBondContact CB-O 3.46Å; A318-S2604 CarbonylContact O-C 3.55Å; A318-S2605 CarbonylContact O-C 3.29Å; A318-S2605 VanDerWaalsContact O-CA 3.31Å; A318-S2605 WeakPolarHBondContact O-CA 3.23Å |
| 319 | R | 71.3 | Confident | 68.8 | Low | 73 Ų | 73 | 51 Ų | 51 | 28% | 0.275 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -15.8 | 166.4 | -128.3 | 160.5 | -72.3 | 155.9 | -4.8 | 114.4 | E315 E316 Y538 Q620 S2605 | E315-R319 WeakPolarHBondContact O-CB 3.04Å; E315-R319 PolarHBondContact O-N 3.34Å; E315-R319 IonicContact OE1-CZ 2.75Å; E315-R319 IonicContact OE1-NE 2.85Å; E315-R319 IonicContact OE1-NH2 3.19Å; E315-R319 PolarHBondContact OE1-NH2 2.96Å; E315-R319 IonicContact OE2-NH2 2.85Å; E316-R319 PolarHBondContact O-N 2.68Å; R319-Y538 HydrophobicContact CB-CD2 3.85Å; R319-Y538 HydrophobicContact CB-CG 4.28Å; R319-Y538 HydrophobicContact CG-CD2 3.96Å; R319-Y538 HydrophobicContact CG-CE2 4.27Å; R319-Q620 PolarHBondContact O-OE1 3.27Å; R319-S2605 VanDerWaalsContact C-N 3.3Å; R319-S2605 VanDerWaalsContact C-OG 3.27Å; R319-S2605 WeakPolarHBondContact O-CB 3.28Å; R319-S2605 PolarHBondContact O-OG 3.42Å |
| 320 | A | 68.8 | Low | 68.6 | Low | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -115.5 | -38.9 | -152.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | E316 L322 K323 S536 L537 R2603 | E316-A320 VanDerWaalsContact O-CB 3.27Å; E316-A320 WeakPolarHBondContact O-CB 3.33Å; E316-A320 PolarHBondContact O-N 2.93Å; A320-L322 PolarHBondContact O-N 3.34Å; A320-K323 WeakPolarHBondContact O-CD 3.28Å; A320-S536 CarbonylContact O-C 3.47Å; A320-S536 WeakPolarHBondContact O-CA 3.48Å; A320-S536 PolarHBondContact O-N 2.73Å; A320-L537 VanDerWaalsContact CA-O 3.27Å; A320-L537 WeakPolarHBondContact CA-O 3.06Å; A320-L537 WeakPolarHBondContact CB-O 3.33Å; A320-L537 PolarHBondContact O-N 3.36Å; A320-R2603 HydrophobicContact CB-CB 3.35Å; A320-R2603 HydrophobicContact CB-CG 3.45Å; A320-R2603 VanDerWaalsContact CB-CG 3.45Å |
| 321 | C | 63.9 | Low | 68.5 | Low | 8 Ų | 8 | 49.7 Ų | 49.7 | 5% | 0.054 | 24% | 0.243 | C | C | . | . | trans | -80.1 | 69.1 | -173 | -141.4 | 0 | 0 | 0 | 0 | 107.2 | K535 S536 S2602 R2603 S2604 | C321-K535 VanDerWaalsContact C-C 3.45Å; C321-K535 VanDerWaalsContact CA-C 3.42Å; C321-K535 HydrophobicContact CB-CB 3.88Å; C321-K535 HydrophobicContact CB-CD 3.86Å; C321-K535 HydrophobicContact CB-CG 4.31Å; C321-K535 WeakPolarHBondContact O-CB 3.2Å; C321-K535 WeakPolarHBondContact O-CD 3.27Å; C321-K535 WeakPolarHBondContact O-CG 3.34Å; C321-K535 WeakPolarHBondContact SG-CB 2.95Å; C321-K535 PolarHBondContact SG-O 2.79Å; C321-S536 VanDerWaalsContact CA-N 3.32Å; C321-S536 PolarHBondContact SG-OG 2.99Å; C321-S2602 WeakPolarHBondContact CB-O 3.32Å; C321-S2602 PolarHBondContact SG-O 3.21Å; C321-R2603 HydrophobicContact CB-CB 3.42Å; C321-R2603 VanDerWaalsContact CB-CB 3.42Å; C321-R2603 WeakPolarHBondContact CB-O 3.14Å; C321-S2604 WeakPolarHBondContact CB-OG 3.15Å; C321-S2604 PolarHBondContact O-OG 3.01Å | ||
| 322 | L | 72.6 | Confident | 68 | Low | 42 Ų | 42 | 44.8 Ų | 44.8 | 22% | 0.22 | 23% | 0.225 | C | C | . | . | trans | -149.3 | 82.4 | 157.6 | -77.3 | 110.8 | 0 | 0 | 0 | 104.4 | A320 F325 E326 K535 S536 Q620 S2605 | A320-L322 PolarHBondContact O-N 3.34Å; L322-F325 VanDerWaalsContact CD2-O 3.27Å; L322-F325 WeakPolarHBondContact CD2-O 3.23Å; L322-F325 VanDerWaalsContact CG-O 3.31Å; L322-F325 WeakPolarHBondContact CG-O 3.45Å; L322-E326 HydrophobicContact CB-CB 3.67Å; L322-E326 HydrophobicContact CB-CG 3.68Å; L322-E326 VanDerWaalsContact CB-OE1 3.32Å; L322-E326 WeakPolarHBondContact CB-OE1 3.03Å; L322-E326 HydrophobicContact CD2-CG 3.89Å; L322-E326 HydrophobicContact CG-CG 4.37Å; L322-E326 WeakPolarHBondContact O-CB 2.97Å; L322-K535 HydrophobicContact CG-CG 4.35Å; L322-K535 VanDerWaalsContact N-C 3.33Å; L322-S536 VanDerWaalsContact N-N 3.2Å; L322-Q620 PolarHBondContact O-NE2 3.44Å; L322-S2605 WeakPolarHBondContact CD1-OG 3.31Å | ||
| 323 | K | 74.6 | Confident | 67.5 | Low | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 166.6 | 70.2 | -169.7 | -46.2 | 104.5 | -155.2 | -142.8 | 0 | 119.4 | A320 L327 N534 K535 S536 L537 S619 | A320-K323 WeakPolarHBondContact O-CD 3.28Å; K323-L327 VanDerWaalsContact CA-CB 3.48Å; K323-L327 HydrophobicContact CB-CB 3.84Å; K323-L327 HydrophobicContact CB-CD1 3.72Å; K323-L327 HydrophobicContact CB-CG 3.69Å; K323-L327 HydrophobicContact CG-CB 4.37Å; K323-L327 HydrophobicContact CG-CD1 3.59Å; K323-L327 HydrophobicContact CG-CG 3.65Å; K323-N534 CarbonylContact C-O 3.33Å; K323-K535 CarbonylContact C-O 3.42Å; K323-K535 CarbonylContact O-C 3.56Å; K323-K535 VanDerWaalsContact O-O 3.09Å; K323-S536 WeakPolarHBondContact O-CB 3.26Å; K323-S536 PolarHBondContact O-N 3.12Å; K323-L537 HydrophobicContact CB-CD1 3.81Å; K323-L537 HydrophobicContact CD-CB 3.79Å; K323-L537 HydrophobicContact CD-CD1 3.59Å; K323-L537 HydrophobicContact CD-CG 4.26Å; K323-L537 HydrophobicContact CG-CD1 3.67Å; K323-L537 PolarHBondContact NZ-O 2.59Å; K323-S619 WeakPolarHBondContact CD-O 3.34Å; K323-S619 WeakPolarHBondContact CE-O 3.36Å; K323-S619 PolarHBondContact NZ-O 2.86Å |
| 324 | H | 63.6 | Low | 66.6 | Low | 108 Ų | 108 | 51.5 Ų | 51.5 | 50% | 0.5 | 25% | 0.252 | S | S | . | . | S | Bend | 88.8 | 0 | -122.6 | -63.7 | -74.6 | 0 | 0 | 0 | 130.2 | E328 N534 K535 | H324-E328 VanDerWaalsContact CE1-CD 3.48Å; H324-E328 IonicContact CE1-OE1 3.6Å; H324-E328 PolarHBondContact CE1-OE1 3.24Å; H324-E328 IonicContact CE1-OE2 2.7Å; H324-E328 IonicContact CG-OE2 3.59Å; H324-E328 IonicContact ND1-OE1 4Å; H324-E328 PolarHBondContact ND1-OE1 2.75Å; H324-E328 IonicContact ND1-OE2 2.64Å; H324-E328 PolarHBondContact ND1-OE2 2.66Å; H324-N534 CarbonylContact C-O 3.59Å; H324-N534 WeakPolarHBondContact CA-O 3.29Å; H324-N534 PolarHBondContact N-O 3.29Å; H324-K535 HydrophobicContact CB-CB 4.44Å; H324-K535 VanDerWaalsContact N-C 3.34Å; H324-K535 WeakPolarHBondContact O-CB 2.96Å | |
| 325 | F | 73.2 | Confident | 66.1 | Low | 113 Ų | 113 | 54 Ų | 54 | 50% | 0.496 | 26% | 0.259 | S | S | . | . | S | Bend | 0 | 0 | 0 | -132.9 | -80 | 0 | 0 | 0 | 133.2 | L322 N534 K535 S625 | L322-F325 VanDerWaalsContact CD2-O 3.27Å; L322-F325 WeakPolarHBondContact CD2-O 3.23Å; L322-F325 VanDerWaalsContact CG-O 3.31Å; L322-F325 WeakPolarHBondContact CG-O 3.45Å; F325-N534 WeakPolarHBondContact CA-O 2.97Å; F325-N534 WeakPolarHBondContact CA-OD1 3.12Å; F325-N534 HydrophobicContact CB-CB 4.13Å; F325-N534 WeakPolarHBondContact CD1-OD1 3.41Å; F325-N534 HydrophobicContact CD2-CB 4.37Å; F325-N534 WeakPolarHBondContact CD2-OD1 3.32Å; F325-N534 WeakPolarHBondContact CE1-OD1 3.43Å; F325-N534 WeakPolarHBondContact CE2-OD1 3.19Å; F325-N534 HydrophobicContact CG-CB 4.23Å; F325-N534 WeakPolarHBondContact CG-OD1 2.9Å; F325-N534 PolarHBondContact N-O 2.71Å; F325-K535 HydrophobicContact CB-CB 4.21Å; F325-K535 HydrophobicContact CB-CD 4.21Å; F325-K535 HydrophobicContact CB-CG 3.3Å; F325-K535 WeakPolarHBondContact O-CG 3.19Å; F325-S625 WeakPolarHBondContact CE1-O 3.29Å; F325-S625 VanDerWaalsContact CZ-O 3.26Å; F325-S625 WeakPolarHBondContact CZ-O 2.83Å | |
| 326 | E | 67.3 | Low | 65.3 | Low | 32 Ų | 32 | 51.5 Ų | 51.5 | 15% | 0.15 | 25% | 0.248 | C | C | . | . | S | Bend | 0 | 14 | 0 | -59.8 | -179.5 | -58.2 | 0 | 0 | 136 | L322 E533 N534 Q620 E622 L623 | L322-E326 HydrophobicContact CB-CB 3.67Å; L322-E326 HydrophobicContact CB-CG 3.68Å; L322-E326 VanDerWaalsContact CB-OE1 3.32Å; L322-E326 WeakPolarHBondContact CB-OE1 3.03Å; L322-E326 HydrophobicContact CD2-CG 3.89Å; L322-E326 HydrophobicContact CG-CG 4.37Å; L322-E326 WeakPolarHBondContact O-CB 2.97Å; E326-E533 WeakPolarHBondContact CA-OE2 3.42Å; E326-N534 VanDerWaalsContact CA-N 3.3Å; E326-Q620 PolarHBondContact OE1-NE2 2.78Å; E326-E622 CarbonylContact C-O 3.36Å; E326-E622 WeakPolarHBondContact CA-O 3.16Å; E326-E622 WeakPolarHBondContact CB-O 3.3Å; E326-E622 VanDerWaalsContact CG-C 3.44Å; E326-E622 WeakPolarHBondContact CG-O 3.45Å; E326-E622 VanDerWaalsContact OE2-C 3.24Å; E326-E622 PolarHBondContact OE2-N 3.49Å; E326-L623 PolarHBondContact OE2-N 2.77Å | |
| 327 | L | 69.4 | Low | 64.7 | Low | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.12 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -129.9 | 46.9 | 149.8 | -59.1 | -179 | 0 | 0 | 0 | 121.9 | K323 E330 L331 E533 N534 E622 | K323-L327 VanDerWaalsContact CA-CB 3.48Å; K323-L327 HydrophobicContact CB-CB 3.84Å; K323-L327 HydrophobicContact CB-CD1 3.72Å; K323-L327 HydrophobicContact CB-CG 3.69Å; K323-L327 HydrophobicContact CG-CB 4.37Å; K323-L327 HydrophobicContact CG-CD1 3.59Å; K323-L327 HydrophobicContact CG-CG 3.65Å; L327-E330 CarbonylContact C-O 3.12Å; L327-E330 WeakPolarHBondContact CA-O 3.29Å; L327-E330 WeakPolarHBondContact CB-O 3.4Å; L327-E330 HydrophobicContact CD2-CB 4.38Å; L327-E330 WeakPolarHBondContact CD2-O 3.18Å; L327-E330 WeakPolarHBondContact CG-O 3.34Å; L327-L331 HydrophobicContact CB-CD1 3.74Å; L327-L331 HydrophobicContact CD1-CD1 4.2Å; L327-L331 HydrophobicContact CG-CD1 4.49Å; L327-L331 WeakPolarHBondContact O-CA 3.36Å; L327-L331 WeakPolarHBondContact O-CB 3.46Å; L327-L331 WeakPolarHBondContact O-CD1 3.4Å; L327-L331 PolarHBondContact O-N 2.67Å; L327-E533 VanDerWaalsContact C-C 3.47Å; L327-E533 HydrophobicContact CD2-CB 4.48Å; L327-N534 CarbonylContact C-O 3.56Å; L327-N534 VanDerWaalsContact CA-O 3.3Å; L327-N534 WeakPolarHBondContact CA-O 3.3Å; L327-N534 PolarHBondContact N-O 2.74Å; L327-E622 HydrophobicContact CD2-CB 3.76Å |
| 328 | E | 64 | Low | 63.7 | Low | 42 Ų | 42 | 56.1 Ų | 56.1 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -129.7 | 0 | 141.6 | -49.7 | -173.3 | 114.6 | 0 | 0 | 127.9 | H324 L331 A332 K335 E533 N534 | H324-E328 VanDerWaalsContact CE1-CD 3.48Å; H324-E328 IonicContact CE1-OE1 3.6Å; H324-E328 PolarHBondContact CE1-OE1 3.24Å; H324-E328 IonicContact CE1-OE2 2.7Å; H324-E328 IonicContact CG-OE2 3.59Å; H324-E328 IonicContact ND1-OE1 4Å; H324-E328 PolarHBondContact ND1-OE1 2.75Å; H324-E328 IonicContact ND1-OE2 2.64Å; H324-E328 PolarHBondContact ND1-OE2 2.66Å; E328-L331 HydrophobicContact CG-CB 4.05Å; E328-A332 HydrophobicContact CB-CB 3.99Å; E328-A332 WeakPolarHBondContact O-CB 3.31Å; E328-K335 IonicContact OE1-NZ 3.38Å; E328-K335 PolarHBondContact OE1-NZ 3.06Å; E328-E533 CarbonylContact C-O 3.38Å; E328-E533 WeakPolarHBondContact CA-O 3.25Å; E328-E533 CarbonylContact O-C 3.33Å; E328-N534 HydrophobicContact CB-CB 3.94Å; E328-N534 VanDerWaalsContact N-CB 3.32Å; E328-N534 PolarHBondContact N-O 2.63Å; E328-N534 PolarHBondContact O-ND2 3.06Å |
| 329 | Q | 63.5 | Low | 62.6 | Low | 30 Ų | 30 | 58.3 Ų | 58.3 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | S | Bend | 0 | 0 | 0 | -23.5 | 169.4 | 112.4 | 0 | 0 | 138.8 | F333 P532 E533 S625 | Q329-F333 HydrophobicContact CB-CD2 3.57Å; Q329-F333 HydrophobicContact CB-CE2 3.52Å; Q329-F333 HydrophobicContact CB-CG 4.32Å; Q329-F333 HydrophobicContact CB-CZ 4.22Å; Q329-F333 HydrophobicContact CG-CD2 4.02Å; Q329-F333 HydrophobicContact CG-CE1 4.38Å; Q329-F333 HydrophobicContact CG-CE2 3.5Å; Q329-F333 HydrophobicContact CG-CZ 3.71Å; Q329-F333 WeakPolarHBondContact O-CD2 3.26Å; Q329-P532 CarbonylContact C-O 3.37Å; Q329-P532 WeakPolarHBondContact CA-O 3.39Å; Q329-P532 PolarHBondContact N-O 2.92Å; Q329-E533 WeakPolarHBondContact CA-O 3.49Å; Q329-E533 HydrophobicContact CB-CB 4.03Å; Q329-E533 HydrophobicContact CB-CG 3.57Å; Q329-E533 WeakPolarHBondContact CB-O 3.35Å; Q329-E533 VanDerWaalsContact CB-OE1 3.28Å; Q329-E533 WeakPolarHBondContact CB-OE1 3.42Å; Q329-E533 WeakPolarHBondContact CG-O 3.04Å; Q329-E533 PolarHBondContact N-O 2.85Å; Q329-E533 PolarHBondContact NE2-OE1 2.78Å; Q329-S625 PolarHBondContact OE1-OG 3.04Å | |
| 330 | E | 66.5 | Low | 61.5 | Low | 77 Ų | 77 | 61.9 Ų | 61.9 | 36% | 0.36 | 30% | 0.297 | S | S | . | . | S | Bend | 0 | 0 | 0 | -150.7 | -57.8 | -84.2 | 0 | 0 | 131.3 | L327 P532 E533 E622 | L327-E330 CarbonylContact C-O 3.12Å; L327-E330 WeakPolarHBondContact CA-O 3.29Å; L327-E330 WeakPolarHBondContact CB-O 3.4Å; L327-E330 HydrophobicContact CD2-CB 4.38Å; L327-E330 WeakPolarHBondContact CD2-O 3.18Å; L327-E330 WeakPolarHBondContact CG-O 3.34Å; E330-P532 VanDerWaalsContact C-CA 3.44Å; E330-P532 WeakPolarHBondContact CA-O 3.46Å; E330-P532 HydrophobicContact CB-CB 3.97Å; E330-P532 HydrophobicContact CB-CG 4.02Å; E330-P532 HydrophobicContact CG-CB 3.88Å; E330-P532 HydrophobicContact CG-CG 3.81Å; E330-P532 PolarHBondContact N-O 2.57Å; E330-P532 WeakPolarHBondContact OE2-CB 3.32Å; E330-E533 HydrophobicContact CB-CB 3.97Å; E330-E533 WeakPolarHBondContact O-CA 3.31Å; E330-E533 WeakPolarHBondContact O-CB 3.29Å; E330-E533 PolarHBondContact O-N 3.47Å; E330-E622 WeakPolarHBondContact CB-OE1 3.44Å; E330-E622 WeakPolarHBondContact CB-OE2 3.14Å; E330-E622 PolarHBondContact N-OE2 3.1Å | |
| 331 | L | 67.1 | Low | 60.1 | Low | 52 Ų | 52 | 64.7 Ų | 64.7 | 27% | 0.272 | 33% | 0.326 | S | S | . | . | S | Bend | 0 | 0 | 0 | -48.6 | 76.8 | 0 | 0 | 0 | 135.2 | L327 E328 K335 I336 Q531 P532 | L327-L331 HydrophobicContact CB-CD1 3.74Å; L327-L331 HydrophobicContact CD1-CD1 4.2Å; L327-L331 HydrophobicContact CG-CD1 4.49Å; L327-L331 WeakPolarHBondContact O-CA 3.36Å; L327-L331 WeakPolarHBondContact O-CB 3.46Å; L327-L331 WeakPolarHBondContact O-CD1 3.4Å; L327-L331 PolarHBondContact O-N 2.67Å; E328-L331 HydrophobicContact CG-CB 4.05Å; L331-K335 HydrophobicContact CB-CB 3.8Å; L331-K335 HydrophobicContact CB-CD 4.24Å; L331-K335 HydrophobicContact CB-CG 4.11Å; L331-K335 HydrophobicContact CD2-CB 4.43Å; L331-K335 HydrophobicContact CD2-CD 4.48Å; L331-K335 HydrophobicContact CD2-CG 4.07Å; L331-K335 HydrophobicContact CG-CB 4.11Å; L331-K335 HydrophobicContact CG-CG 4.31Å; L331-K335 WeakPolarHBondContact O-CE 3.35Å; L331-K335 PolarHBondContact O-NZ 2.75Å; L331-I336 WeakPolarHBondContact O-CD1 3.37Å; L331-I336 VanDerWaalsContact O-CG1 3.3Å; L331-I336 WeakPolarHBondContact O-CG1 3.44Å; L331-Q531 CarbonylContact C-O 3.47Å; L331-P532 HydrophobicContact CB-CB 4.27Å | |
| 332 | A | 60.1 | Low | 58.7 | Low | 23 Ų | 23 | 69.2 Ų | 69.2 | 19% | 0.19 | 35% | 0.35 | C | S | . | . | S | Bend | 0 | -21.7 | 0 | 0 | 0 | 0 | 0 | 0 | 127.2 | E328 I336 D337 Q531 P532 | E328-A332 HydrophobicContact CB-CB 3.99Å; E328-A332 WeakPolarHBondContact O-CB 3.31Å; A332-I336 HydrophobicContact CB-CB 4.33Å; A332-I336 HydrophobicContact CB-CD1 3.78Å; A332-I336 HydrophobicContact CB-CG1 4.25Å; A332-D337 PolarHBondContact O-N 2.7Å; A332-D337 VanDerWaalsContact O-N 3.17Å; A332-Q531 VanDerWaalsContact C-CA 3.43Å; A332-Q531 CarbonylContact C-O 3.44Å; A332-Q531 VanDerWaalsContact CA-C 3.41Å; A332-Q531 WeakPolarHBondContact CA-O 3Å; A332-Q531 PolarHBondContact N-O 2.98Å; A332-Q531 CarbonylContact O-C 3.59Å; A332-Q531 WeakPolarHBondContact O-CA 3.32Å; A332-Q531 WeakPolarHBondContact O-CB 3.42Å; A332-P532 VanDerWaalsContact C-N 3.28Å; A332-P532 CarbonylContact C-O 3.47Å; A332-P532 WeakPolarHBondContact CA-O 3.43Å; A332-P532 PolarHBondContact N-O 2.62Å | |
| 333 | F | 61.8 | Low | 56.7 | Low | 124 Ų | 124 | 73.2 Ų | 73.2 | 54% | 0.544 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 0 | 157 | -56 | -19.3 | 0 | 0 | 0 | 135.1 | Q329 Q531 P532 | Q329-F333 HydrophobicContact CB-CD2 3.57Å; Q329-F333 HydrophobicContact CB-CE2 3.52Å; Q329-F333 HydrophobicContact CB-CG 4.32Å; Q329-F333 HydrophobicContact CB-CZ 4.22Å; Q329-F333 HydrophobicContact CG-CD2 4.02Å; Q329-F333 HydrophobicContact CG-CE1 4.38Å; Q329-F333 HydrophobicContact CG-CE2 3.5Å; Q329-F333 HydrophobicContact CG-CZ 3.71Å; Q329-F333 WeakPolarHBondContact O-CD2 3.26Å; F333-Q531 PolarHBondContact N-O 3.04Å; F333-Q531 VanDerWaalsContact N-O 3.07Å; F333-Q531 VanDerWaalsContact O-CB 3.31Å; F333-Q531 WeakPolarHBondContact O-CB 3.32Å; F333-Q531 WeakPolarHBondContact O-CG 3.41Å; F333-Q531 PolarHBondContact O-NE2 3.03Å; F333-P532 WeakPolarHBondContact CA-O 3.27Å; F333-P532 VanDerWaalsContact CB-O 3.24Å; F333-P532 WeakPolarHBondContact CB-O 3.43Å; F333-P532 PolarHBondContact N-O 2.61Å |
| 334 | H | 50.6 | Low | 54.8 | Low | 140 Ų | 140 | 75.9 Ų | 75.9 | 65% | 0.648 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -30 | 0 | -69.9 | -57.3 | 0 | 0 | 0 | 142.8 | S530 Q531 P532 | H334-S530 PolarHBondContact O-OG 3.12Å; H334-Q531 CarbonylContact C-O 3.14Å; H334-Q531 PolarHBondContact O-N 2.74Å; H334-P532 VanDerWaalsContact C-N 3.32Å; H334-P532 HydrophobicContact CB-CG 3.4Å | |
| 335 | K | 54 | Low | 53.2 | Low | 82 Ų | 82 | 76 Ų | 76 | 36% | 0.357 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -20 | 141.2 | -167.6 | -86.1 | -103.1 | 136 | 0 | 127.5 | E328 L331 S530 Q531 P532 | E328-K335 IonicContact OE1-NZ 3.38Å; E328-K335 PolarHBondContact OE1-NZ 3.06Å; L331-K335 HydrophobicContact CB-CB 3.8Å; L331-K335 HydrophobicContact CB-CD 4.24Å; L331-K335 HydrophobicContact CB-CG 4.11Å; L331-K335 HydrophobicContact CD2-CB 4.43Å; L331-K335 HydrophobicContact CD2-CD 4.48Å; L331-K335 HydrophobicContact CD2-CG 4.07Å; L331-K335 HydrophobicContact CG-CB 4.11Å; L331-K335 HydrophobicContact CG-CG 4.31Å; L331-K335 WeakPolarHBondContact O-CE 3.35Å; L331-K335 PolarHBondContact O-NZ 2.75Å; K335-S530 WeakPolarHBondContact O-CA 3.15Å; K335-S530 PolarHBondContact O-N 2.79Å; K335-Q531 CarbonylContact C-O 3.6Å; K335-Q531 VanDerWaalsContact CA-C 3.47Å; K335-Q531 WeakPolarHBondContact CA-O 3.25Å; K335-Q531 PolarHBondContact N-O 2.76Å; K335-P532 HydrophobicContact CB-CB 4.21Å |
| 336 | I | 55.8 | Low | 50.9 | Low | 26 Ų | 26 | 75.8 Ų | 75.8 | 13% | 0.133 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -45.4 | 176.3 | -45.5 | 174.6 | 0 | 0 | 0 | 122.1 | L331 A332 K339 S529 S530 Q531 | L331-I336 WeakPolarHBondContact O-CD1 3.37Å; L331-I336 VanDerWaalsContact O-CG1 3.3Å; L331-I336 WeakPolarHBondContact O-CG1 3.44Å; A332-I336 HydrophobicContact CB-CB 4.33Å; A332-I336 HydrophobicContact CB-CD1 3.78Å; A332-I336 HydrophobicContact CB-CG1 4.25Å; I336-K339 VanDerWaalsContact O-CE 3.31Å; I336-K339 WeakPolarHBondContact O-CE 3.09Å; I336-S529 VanDerWaalsContact C-C 3.44Å; I336-S529 CarbonylContact C-O 3.54Å; I336-S529 WeakPolarHBondContact CA-O 3.31Å; I336-S529 CarbonylContact O-C 3.55Å; I336-S529 WeakPolarHBondContact O-CB 3.38Å; I336-S530 CarbonylContact C-O 2.97Å; I336-S530 WeakPolarHBondContact CA-O 3.25Å; I336-S530 PolarHBondContact N-O 3.44Å; I336-Q531 PolarHBondContact N-O 2.98Å |
| 337 | D | 54.9 | Low | 48.8 | Very low | 61 Ų | 61 | 81.8 Ų | 81.8 | 33% | 0.326 | 46% | 0.461 | S | S | . | . | trans | -110.6 | 35.3 | -171.3 | -103.3 | -99.6 | 0 | 0 | 0 | 124.7 | A332 K339 L340 S530 Q531 | A332-D337 PolarHBondContact O-N 2.7Å; A332-D337 VanDerWaalsContact O-N 3.17Å; D337-K339 PolarHBondContact O-N 2.75Å; D337-K339 WeakPolarHBondContact OD1-CD 3.34Å; D337-K339 WeakPolarHBondContact OD2-CD 3.47Å; D337-K339 WeakPolarHBondContact OD2-CE 3.3Å; D337-K339 IonicContact OD2-NZ 2.61Å; D337-K339 PolarHBondContact OD2-NZ 2.98Å; D337-L340 PolarHBondContact O-N 2.72Å; D337-S530 CarbonylContact C-O 3.11Å; D337-S530 WeakPolarHBondContact CA-O 3.22Å; D337-S530 PolarHBondContact N-O 2.84Å; D337-Q531 VanDerWaalsContact N-CB 3.34Å | ||
| 338 | E | 47.1 | Very low | 46.7 | Very low | 77 Ų | 77 | 86.3 Ų | 86.3 | 36% | 0.36 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -54 | 2.4 | 154.3 | 134.3 | -153.7 | 126.8 | 0 | 0 | 112.2 | L340 G341 S529 S530 Q531 | E338-L340 PolarHBondContact O-N 2.94Å; E338-G341 WeakPolarHBondContact O-CA 3.18Å; E338-G341 PolarHBondContact O-N 2.79Å; E338-S529 WeakPolarHBondContact OE1-CA 3.05Å; E338-S529 PolarHBondContact OE1-N 3.33Å; E338-S530 WeakPolarHBondContact CB-O 3.01Å; E338-S530 VanDerWaalsContact CD-CB 3.46Å; E338-S530 PolarHBondContact N-O 3.21Å; E338-S530 WeakPolarHBondContact OE2-CB 3.47Å; E338-S530 PolarHBondContact OE2-OG 2.67Å; E338-Q531 HydrophobicContact CB-CG 3.96Å |
| 339 | K | 45.5 | Very low | 44.8 | Very low | 85 Ų | 85 | 93.5 Ų | 93.5 | 37% | 0.37 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -57.7 | -33.3 | 170.2 | -64.5 | -174.7 | -164.4 | 145.2 | 0 | 111.6 | I336 D337 G341 L342 S529 | I336-K339 VanDerWaalsContact O-CE 3.31Å; I336-K339 WeakPolarHBondContact O-CE 3.09Å; D337-K339 PolarHBondContact O-N 2.75Å; D337-K339 WeakPolarHBondContact OD1-CD 3.34Å; D337-K339 WeakPolarHBondContact OD2-CD 3.47Å; D337-K339 WeakPolarHBondContact OD2-CE 3.3Å; D337-K339 IonicContact OD2-NZ 2.61Å; D337-K339 PolarHBondContact OD2-NZ 2.98Å; K339-G341 PolarHBondContact O-N 3.08Å; K339-G341 VanDerWaalsContact O-N 3.11Å; K339-L342 PolarHBondContact O-N 3.29Å; K339-S529 WeakPolarHBondContact CG-OG 3.19Å; K339-S529 PolarHBondContact N-OG 3.37Å |
| 340 | L | 47.4 | Very low | 42.9 | Very low | 147 Ų | 147 | 97.1 Ų | 97.1 | 77% | 0.77 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -56.7 | -23.8 | 169.2 | -67.1 | 173.8 | 0 | 0 | 0 | 112.1 | D337 E338 | D337-L340 PolarHBondContact O-N 2.72Å; E338-L340 PolarHBondContact O-N 2.94Å |
| 341 | G | 39 | Very low | 40.8 | Very low | 60 Ų | 60 | 102.5 Ų | 102.5 | 62% | 0.619 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -77.7 | -9.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | E338 K339 | E338-G341 WeakPolarHBondContact O-CA 3.18Å; E338-G341 PolarHBondContact O-N 2.79Å; K339-G341 PolarHBondContact O-N 3.08Å; K339-G341 VanDerWaalsContact O-N 3.11Å |
| 342 | L | 34.1 | Very low | 38.7 | Very low | 104 Ų | 104 | 109.5 Ų | 109.5 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -121.6 | 16.8 | -176.4 | -76.5 | 175.7 | 0 | 0 | 0 | 115.7 | K339 G344 | K339-L342 PolarHBondContact O-N 3.29Å; L342-G344 PolarHBondContact O-N 2.95Å |
| 343 | V | 30.1 | Very low | 36.9 | Very low | 125 Ų | 125 | 114.3 Ų | 114.3 | 76% | 0.758 | 62% | 0.616 | S | S | * | * | trans | -67 | -6.1 | 158.7 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | S345 | V343-S345 VanDerWaalsContact C-N 3.3Å; V343-S345 PolarHBondContact O-N 2.7Å | ||
| 344 | G | 36.5 | Very low | 35 | Very low | 63 Ų | 63 | 112 Ų | 112 | 65% | 0.649 | 62% | 0.615 | S | S | * | * | trans | -72.8 | 63.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L342 | L342-G344 PolarHBondContact O-N 2.95Š| ||
| 345 | S | 29.2 | Very low | 33.6 | Very low | 111 Ų | 111 | 108 Ų | 108 | 78% | 0.776 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 143.5 | 130 | 146.9 | -68 | 0 | 0 | 0 | 0 | 113.8 | V343 | V343-S345 VanDerWaalsContact C-N 3.3Å; V343-S345 PolarHBondContact O-N 2.7Å |
| 346 | C | 25 | Very low | 32.1 | Very low | 107 Ų | 107 | 109.4 Ų | 109.4 | 72% | 0.723 | 62% | 0.615 | S | S | * | * | cis | -169 | 146.9 | -34 | -124.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 347 | L | 24.1 | Very low | 30.6 | Very low | 159 Ų | 159 | 112.8 Ų | 112.8 | 83% | 0.832 | 64% | 0.637 | S | S | * | * | trans | 52.8 | 82.1 | 149.7 | -61.6 | 171.7 | 0 | 0 | 0 | 120.3 | ||||
| 348 | S | 24.6 | Very low | 29.2 | Very low | 118 Ų | 118 | 114.4 Ų | 114.4 | 83% | 0.825 | 64% | 0.642 | S | S | * | * | trans | -172.4 | 147.4 | 134.5 | 38.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 349 | K | 24.8 | Very low | 28.2 | Very low | 192 Ų | 192 | 116.9 Ų | 116.9 | 84% | 0.835 | 65% | 0.654 | S | S | * | * | cis | -169.5 | 152.7 | -29.9 | -128.3 | 169.9 | -173.3 | 170 | 0 | 108.4 | ||||
| 350 | S | 22.4 | Very low | 27.2 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | trans | 65.9 | 157.5 | 169.3 | -80.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 351 | R | 23.5 | Very low | 26.8 | Very low | 190 Ų | 190 | 114.7 Ų | 114.7 | 72% | 0.717 | 64% | 0.642 | S | S | * | * | cis | 178.8 | 146.6 | -33.5 | -126.5 | 179.6 | 172.5 | -178.6 | -0.8 | 106.6 | ||||
| 352 | R | 22 | Very low | 26.8 | Very low | 198 Ų | 198 | 114.6 Ų | 114.6 | 75% | 0.747 | 63% | 0.628 | S | S | * | * | trans | 66.7 | 156.1 | 160.4 | -65.8 | 171.3 | 177.1 | 171.4 | -7.1 | 113.4 | ||||
| 353 | N | 21.9 | Very low | 27 | Very low | 124 Ų | 124 | 114.2 Ų | 114.2 | 66% | 0.663 | 63% | 0.63 | S | S | * | * | cis | -144.5 | 133.8 | 0.1 | -120.8 | 14.1 | 0 | 0 | 0 | 106.4 | ||||
| 354 | S | 21.9 | Very low | 27.2 | Very low | 75 Ų | 75 | 110 Ų | 110 | 52% | 0.524 | 61% | 0.611 | S | S | . | * | 81.8 | 157.4 | 81.3 | 83.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 355 | S | 21.3 | Very low | 27.2 | Very low | 58 Ų | 58 | 113.4 Ų | 113.4 | 41% | 0.406 | 62% | 0.615 | S | S | . | * | trans | 63.4 | 107.1 | 173.3 | 34.3 | 0 | 0 | 0 | 0 | 116.8 | V640 | S355-V640 WeakPolarHBondContact O-CG2 3.25Š| ||
| 356 | D | 22 | Very low | 27.5 | Very low | 111 Ų | 111 | 114.2 Ų | 114.2 | 59% | 0.594 | 61% | 0.606 | S | S | * | * | 40.6 | 123.2 | 96.7 | -42 | -40.2 | 0 | 0 | 0 | 115.5 | |||||
| 357 | V | 24.6 | Very low | 28.1 | Very low | 97 Ų | 97 | 112.5 Ų | 112.5 | 59% | 0.588 | 59% | 0.594 | S | S | * | * | -166.4 | 173.5 | 77 | 145.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 358 | H | 25.9 | Very low | 28.5 | Very low | 94 Ų | 94 | 115.1 Ų | 115.1 | 44% | 0.435 | 59% | 0.594 | S | S | . | * | 173.3 | 143.1 | -50.3 | -129.4 | -108.8 | 0 | 0 | 0 | 110.9 | L642 | H358-L642 PolarHBondContact N-O 3.47Š| |||
| 359 | Q | 25.3 | Very low | 28.8 | Very low | 130 Ų | 130 | 115.9 Ų | 115.9 | 61% | 0.607 | 59% | 0.588 | S | S | * | * | trans | 61.9 | 121.9 | 162.2 | -73.6 | 146.5 | -31.9 | 0 | 0 | 121.3 | P643 | Q359-P643 VanDerWaalsContact C-CG 3.42Å; Q359-P643 WeakPolarHBondContact O-CD 3.42Å | ||
| 360 | I | 24.6 | Very low | 29.1 | Very low | 79 Ų | 79 | 109 Ų | 109 | 41% | 0.405 | 57% | 0.571 | S | S | . | * | cis | 90.9 | 144.6 | 50 | 16.8 | 169.9 | 0 | 0 | 0 | 115.3 | P643 K644 S646 S647 | I360-P643 HydrophobicContact CB-CG 4.41Å; I360-P643 HydrophobicContact CG1-CG 4.35Å; I360-P643 HydrophobicContact CG2-CG 4.45Å; I360-P643 VanDerWaalsContact N-CD 3.34Å; I360-K644 WeakPolarHBondContact CA-O 3.43Å; I360-K644 HydrophobicContact CG2-CB 4.22Å; I360-K644 HydrophobicContact CG2-CD 3.71Å; I360-K644 PolarHBondContact N-O 3.12Å; I360-S646 CarbonylContact C-O 2.82Å; I360-S646 CarbonylContact O-C 3.55Å; I360-S647 PolarHBondContact O-N 2.97Å; I360-S647 PolarHBondContact O-OG 2.76Å | ||
| 361 | H | 40.3 | Very low | 29.3 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 50% | 0.495 | 57% | 0.566 | S | S | . | * | -133.5 | -56.4 | 57.8 | -173.6 | -106.7 | 0 | 0 | 0 | 120.1 | K644 S646 | H361-K644 WeakPolarHBondContact O-CD 2.84Å; H361-K644 PolarHBondContact O-NZ 2.96Å; H361-S646 WeakPolarHBondContact CB-OG 2.99Å; H361-S646 VanDerWaalsContact N-C 3.34Å; H361-S646 PolarHBondContact N-O 2.82Å; H361-S646 PolarHBondContact N-OG 2.6Å | |||
| 362 | D | 38.4 | Very low | 29.5 | Very low | 58 Ų | 58 | 106.9 Ų | 106.9 | 31% | 0.31 | 57% | 0.566 | S | S | . | * | trans | -84.9 | -178.6 | -141 | -79.1 | -66 | 0 | 0 | 0 | 118.9 | K644 S645 S646 | D362-K644 WeakPolarHBondContact O-CD 2.96Å; D362-K644 WeakPolarHBondContact O-CE 3.47Å; D362-K644 PolarHBondContact O-NZ 2.55Å; D362-S645 PolarHBondContact N-OG 2.73Å; D362-S646 VanDerWaalsContact CB-OG 3.27Å; D362-S646 WeakPolarHBondContact CB-OG 3.32Å; D362-S646 VanDerWaalsContact CG-OG 3.28Å; D362-S646 PolarHBondContact N-OG 2.73Å; D362-S646 WeakPolarHBondContact OD2-CB 3.3Å; D362-S646 PolarHBondContact OD2-OG 3.1Å | ||
| 363 | T | 39 | Very low | 29.4 | Very low | 95 Ų | 95 | 104.8 Ų | 104.8 | 58% | 0.583 | 57% | 0.567 | S | S | * | * | trans | -154.5 | 141.7 | -150.5 | 48.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 364 | G | 34.4 | Very low | 29.4 | Very low | 36 Ų | 36 | 106.6 Ų | 106.6 | 37% | 0.371 | 57% | 0.569 | S | S | . | * | trans | 165.5 | 110.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | N422 | G364-N422 PolarHBondContact N-ND2 3.45Å; G364-N422 VanDerWaalsContact N-ND2 3.1Å; G364-N422 PolarHBondContact O-ND2 2.67Å | ||
| 365 | D | 36.8 | Very low | 29.5 | Very low | 135 Ų | 135 | 110.4 Ų | 110.4 | 72% | 0.722 | 58% | 0.578 | S | S | * | * | trans | 65 | 122.7 | 151.9 | -72.8 | -7.2 | 0 | 0 | 0 | 125.8 | ||||
| 366 | Q | 34.7 | Very low | 29.5 | Very low | 128 Ų | 128 | 113 Ų | 113 | 60% | 0.598 | 60% | 0.595 | S | S | * | * | trans | 62.7 | 148.7 | 134.3 | -70.2 | -153 | 8.4 | 0 | 0 | 124.3 | Y420 | Q366-Y420 WeakPolarHBondContact O-CE1 3.43Å; Q366-Y420 PolarHBondContact O-OH 2.97Å; Q366-Y420 VanDerWaalsContact O-OH 3.09Å | ||
| 367 | P | 37.8 | Very low | 29.5 | Very low | 71 Ų | 71 | 114 Ų | 114 | 46% | 0.461 | 60% | 0.599 | S | S | . | * | cis | -131.3 | 176.8 | -39.7 | 38.8 | -21.3 | 0 | 0 | 0 | 111 | Y420 | P367-Y420 PolarHBondContact O-OH 3.29Š| ||
| 368 | Y | 32.7 | Very low | 29.5 | Very low | 214 Ų | 214 | 112.4 Ų | 112.4 | 84% | 0.839 | 59% | 0.591 | S | S | * | * | cis | 82.6 | 148.6 | 24.2 | -151.2 | -97.6 | 0 | 0 | 0 | 117.7 | ||||
| 369 | L | 31.3 | Very low | 29.5 | Very low | 135 Ų | 135 | 110.3 Ų | 110.3 | 71% | 0.707 | 59% | 0.585 | S | S | * | * | trans | 66.6 | 145.4 | -157.9 | -113.1 | 61.9 | 0 | 0 | 0 | 113 | ||||
| 370 | G | 31.1 | Very low | 29.5 | Very low | 46 Ų | 46 | 107.5 Ų | 107.5 | 47% | 0.474 | 57% | 0.574 | S | S | . | * | cis | 102.7 | 133.9 | 17.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 371 | K | 26.6 | Very low | 29.6 | Very low | 148 Ų | 148 | 106 Ų | 106 | 64% | 0.643 | 57% | 0.566 | S | S | * | * | 56.4 | 127.5 | 74.6 | -142.6 | 178 | -169.4 | -179 | 0 | 110.9 | |||||
| 372 | C | 27.3 | Very low | 29.1 | Very low | 105 Ų | 105 | 104 Ų | 104 | 71% | 0.709 | 56% | 0.564 | S | S | * | * | trans | 76.9 | 133.9 | -154.7 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 373 | M | 20.2 | Very low | 28.5 | Very low | 155 Ų | 155 | 104.2 Ų | 104.2 | 76% | 0.764 | 57% | 0.568 | S | S | * | * | 66.2 | 141 | 52.8 | -68.7 | -86.5 | -71.6 | 0 | 0 | 112.4 | |||||
| 374 | F | 21.9 | Very low | 28 | Very low | 162 Ų | 162 | 102.8 Ų | 102.8 | 71% | 0.711 | 56% | 0.557 | S | S | * | * | trans | 75.2 | 125.6 | -177.3 | -56.8 | -88.4 | 0 | 0 | 0 | 114.6 | ||||
| 375 | Q | 22.5 | Very low | 27.8 | Very low | 155 Ų | 155 | 103.7 Ų | 103.7 | 72% | 0.724 | 55% | 0.553 | S | S | * | * | cis | 80.4 | 84.2 | 40.2 | -171.3 | -171 | -0.1 | 0 | 0 | 113 | ||||
| 376 | C | 21.3 | Very low | 27.6 | Very low | 113 Ų | 113 | 98 Ų | 98 | 76% | 0.764 | 52% | 0.522 | S | S | * | . | trans | -161.1 | 151.6 | 159.4 | -93.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 377 | I | 22.2 | Very low | 27.3 | Very low | 132 Ų | 132 | 92.5 Ų | 92.5 | 68% | 0.677 | 50% | 0.498 | S | S | * | . | cis | 82.6 | 133.2 | 29.1 | -60.7 | 167.6 | 0 | 0 | 0 | 111.6 | ||||
| 378 | P | 25.7 | Very low | 26.8 | Very low | 63 Ų | 63 | 91 Ų | 91 | 41% | 0.409 | 49% | 0.485 | S | S | . | . | cis | -151.6 | -173.8 | -29.6 | 43.2 | -22.6 | 0 | 0 | 0 | 116.7 | M1929 | P378-M1929 VanDerWaalsContact O-SD 3.39Š| ||
| 379 | T | 24.9 | Very low | 26.6 | Very low | 49 Ų | 49 | 80.8 Ų | 80.8 | 30% | 0.301 | 45% | 0.445 | S | S | . | . | trans | 68.1 | 143 | 142.6 | 63.2 | 0 | 0 | 0 | 0 | 125.8 | M1929 E1933 | T379-M1929 WeakPolarHBondContact O-CE 3.38Å; T379-E1933 WeakPolarHBondContact CA-OE2 3.26Å; T379-E1933 PolarHBondContact N-OE2 2.77Å | ||
| 380 | N | 25.4 | Very low | 26.4 | Very low | 71 Ų | 71 | 75.5 Ų | 75.5 | 38% | 0.38 | 42% | 0.417 | S | S | . | . | 107.2 | 127.5 | 129.1 | -80.3 | -4.1 | 0 | 0 | 0 | 123.7 | I695 | N380-I695 VanDerWaalsContact CA-O 3.25Å; N380-I695 WeakPolarHBondContact CA-O 3.44Å; N380-I695 WeakPolarHBondContact OD1-CG2 3.45Å; N380-I695 PolarHBondContact OD1-O 3.32Å | |||
| 381 | N | 28 | Very low | 26.2 | Very low | 47 Ų | 47 | 76.8 Ų | 76.8 | 25% | 0.251 | 41% | 0.41 | S | S | . | . | 83.8 | 135.8 | 129.3 | -84.7 | -49.6 | 0 | 0 | 0 | 127.2 | Q694 I695 L696 S697 | N381-Q694 PolarHBondContact N-O 2.58Å; N381-I695 PolarHBondContact N-O 2.69Å; N381-I695 PolarHBondContact OD1-O 3.47Å; N381-L696 PolarHBondContact OD1-N 3.33Å; N381-S697 WeakPolarHBondContact OD1-CB 2.83Å; N381-S697 PolarHBondContact OD1-OG 3.14Å | |||
| 382 | S | 28.1 | Very low | 26.3 | Very low | 65 Ų | 65 | 74.2 Ų | 74.2 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | 70.8 | 99.5 | 128.4 | 73.8 | 0 | 0 | 0 | 0 | 125.9 | |||||
| 383 | T | 27.7 | Very low | 26.3 | Very low | 64 Ų | 64 | 72.6 Ų | 72.6 | 39% | 0.393 | 40% | 0.399 | S | S | . | . | 52.7 | 133.1 | 114.4 | 58.5 | 0 | 0 | 0 | 0 | 127 | D699 | T383-D699 HydrophobicContact CG2-CB 4.02Å; T383-D699 WeakPolarHBondContact OG1-CB 3.4Å; T383-D699 PolarHBondContact OG1-O 2.92Å | |||
| 384 | N | 28.3 | Very low | 26.5 | Very low | 65 Ų | 65 | 69 Ų | 69 | 35% | 0.348 | 39% | 0.389 | S | S | . | . | 101.8 | 119.9 | 120.1 | -81.7 | 10.8 | 0 | 0 | 0 | 126 | L685 D699 N700 V891 | N384-L685 VanDerWaalsContact O-CD2 3.29Å; N384-L685 WeakPolarHBondContact O-CD2 3.48Å; N384-D699 PolarHBondContact ND2-O 2.82Å; N384-N700 VanDerWaalsContact ND2-C 3.35Å; N384-N700 PolarHBondContact ND2-O 2.67Å; N384-V891 WeakPolarHBondContact O-CG2 3.38Å | |||
| 385 | D | 28.7 | Very low | 26.6 | Very low | 55 Ų | 55 | 67.1 Ų | 67.1 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | trans | 86.7 | 116.4 | 139.2 | -78.4 | -59.4 | 0 | 0 | 0 | 123.4 | L685 F701 N702 S890 | D385-L685 VanDerWaalsContact O-CD1 3.32Å; D385-L685 WeakPolarHBondContact O-CD1 3.39Å; D385-L685 WeakPolarHBondContact O-CD2 2.93Å; D385-F701 VanDerWaalsContact OD2-C 3.23Å; D385-N702 PolarHBondContact OD2-N 2.78Å; D385-S890 WeakPolarHBondContact O-CA 3.15Å | ||
| 386 | H | 34.2 | Very low | 26.7 | Very low | 14 Ų | 14 | 65.3 Ų | 65.3 | 7% | 0.065 | 38% | 0.382 | C | S | . | . | trans | -146.7 | 165.8 | 165.2 | -130.2 | -113.1 | 0 | 0 | 0 | 117.9 | P686 V847 R889 V1685 E1689 K1692 | H386-P686 HydrophobicContact CB-CB 3.91Å; H386-P686 HydrophobicContact CB-CG 3.31Å; H386-V847 HydrophobicContact CB-CG2 3.92Å; H386-R889 VanDerWaalsContact CE1-CD 3.45Å; H386-R889 WeakPolarHBondContact CE1-CD 2.97Å; H386-R889 WeakPolarHBondContact NE2-CD 2.85Å; H386-V1685 WeakPolarHBondContact CE1-CG1 3.2Å; H386-V1685 WeakPolarHBondContact ND1-CG1 3.37Å; H386-E1689 IonicContact CE1-OE1 2.7Å; H386-E1689 PolarHBondContact CE1-OE1 2.82Å; H386-E1689 IonicContact ND1-OE1 3.47Å; H386-E1689 PolarHBondContact ND1-OE1 3.36Å; H386-K1692 PolarHBondContact O-NZ 2.91Å | ||
| 387 | S | 28.1 | Very low | 27 | Very low | 14 Ų | 14 | 67 Ų | 67 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | trans | -167.1 | 143.1 | -172.9 | 27 | 0 | 0 | 0 | 0 | 112.4 | I888 R889 | S387-I888 WeakPolarHBondContact CB-O 3.29Å; S387-I888 PolarHBondContact OG-O 3.33Å; S387-R889 WeakPolarHBondContact OG-CA 3.04Å | ||
| 388 | F | 27.6 | Very low | 27.2 | Very low | 39 Ų | 39 | 62.4 Ų | 62.4 | 17% | 0.171 | 35% | 0.354 | C | S | . | . | trans | 78 | 107.9 | 142.8 | -75.8 | -143.7 | 0 | 0 | 0 | 122.1 | S670 N803 E886 F887 E1689 K1692 D1696 | F388-S670 PolarHBondContact O-OG 2.72Å; F388-N803 WeakPolarHBondContact CA-O 3.09Å; F388-N803 HydrophobicContact CB-CB 4.33Å; F388-N803 HydrophobicContact CD1-CB 3.83Å; F388-N803 WeakPolarHBondContact CD1-ND2 3.09Å; F388-N803 HydrophobicContact CD2-CB 4.01Å; F388-N803 HydrophobicContact CE1-CB 4.35Å; F388-N803 WeakPolarHBondContact CE1-ND2 3.19Å; F388-N803 HydrophobicContact CE2-CB 4.48Å; F388-N803 WeakPolarHBondContact CE2-ND2 3.21Å; F388-N803 HydrophobicContact CG-CB 3.73Å; F388-N803 WeakPolarHBondContact CZ-ND2 3.34Å; F388-E886 WeakPolarHBondContact CD1-O 3.18Å; F388-E886 WeakPolarHBondContact CE1-O 2.73Å; F388-F887 WeakPolarHBondContact CD1-O 3.49Å; F388-E1689 VanDerWaalsContact C-OE2 3.29Å; F388-K1692 HydrophobicContact CD2-CG 4.06Å; F388-D1696 WeakPolarHBondContact CE2-OD2 3.19Å | ||
| 389 | I | 27 | Very low | 27.3 | Very low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | 72.1 | 143.4 | 153.8 | -57 | 78.9 | 0 | 0 | 0 | 120.2 | S670 R671 N803 L804 F887 E1689 | I389-S670 VanDerWaalsContact CG2-CB 3.47Å; I389-S670 WeakPolarHBondContact O-CB 3.27Å; I389-S670 PolarHBondContact O-OG 2.6Å; I389-R671 PolarHBondContact O-N 2.82Å; I389-N803 HydrophobicContact CD1-CB 3.27Å; I389-N803 HydrophobicContact CG1-CB 4.22Å; I389-N803 PolarHBondContact N-O 2.67Å; I389-L804 VanDerWaalsContact CA-O 3.24Å; I389-L804 WeakPolarHBondContact CA-O 3.34Å; I389-L804 WeakPolarHBondContact CG1-O 2.9Å; I389-F887 HydrophobicContact CB-CD1 4.25Å; I389-F887 HydrophobicContact CG2-CD1 4.21Å; I389-F887 HydrophobicContact CG2-CE1 3.98Å; I389-E1689 PolarHBondContact N-OE2 3.25Å | ||
| 390 | N | 28.2 | Very low | 27.3 | Very low | 24 Ų | 24 | 68.1 Ų | 68.1 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | cis | -157.6 | -168.7 | 15.6 | -123 | -5.5 | 0 | 0 | 0 | 108 | E668 L804 H805 S1686 | N390-E668 PolarHBondContact ND2-O 2.85Å; N390-L804 PolarHBondContact OD1-O 2.64Å; N390-H805 CarbonylContact C-O 3.43Å; N390-S1686 WeakPolarHBondContact O-CB 3.45Å; N390-S1686 PolarHBondContact O-OG 2.75Å | ||
| 391 | K | 26.2 | Very low | 27.2 | Very low | 73 Ų | 73 | 69.3 Ų | 69.3 | 32% | 0.317 | 38% | 0.384 | S | S | . | . | cis | 174.8 | 165.7 | -32.3 | 179 | -179.8 | 177.8 | -170.9 | 0 | 108 | E668 H805 | K391-E668 IonicContact NZ-OE1 2.73Å; K391-E668 PolarHBondContact NZ-OE1 3.11Å; K391-E668 IonicContact NZ-OE2 3.27Å; K391-E668 PolarHBondContact NZ-OE2 2.7Å; K391-H805 HydrophobicContact CB-CB 4.17Å | ||
| 392 | C | 29.6 | Very low | 27 | Very low | 93 Ų | 93 | 72 Ų | 72 | 63% | 0.628 | 40% | 0.395 | S | S | * | . | trans | 95.6 | 158 | 164.2 | -48.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 393 | S | 26 | Very low | 26.7 | Very low | 72 Ų | 72 | 73.9 Ų | 73.9 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | trans | -171.7 | -172.5 | 171.2 | -73.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 394 | S | 24.4 | Very low | 26.4 | Very low | 78 Ų | 78 | 76.3 Ų | 76.3 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | cis | -161.7 | -170.4 | 12.8 | 67.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 395 | N | 25 | Very low | 26.4 | Very low | 123 Ų | 123 | 79.6 Ų | 79.6 | 66% | 0.658 | 42% | 0.415 | S | S | * | . | trans | 93.7 | 119.2 | 154.9 | -66.5 | -9.2 | 0 | 0 | 0 | 124.2 | ||||
| 396 | N | 24.9 | Very low | 26.1 | Very low | 118 Ų | 118 | 81.7 Ų | 81.7 | 63% | 0.631 | 43% | 0.433 | S | S | * | . | 73.5 | 132.8 | 125.7 | -66.4 | -13.1 | 0 | 0 | 0 | 127.5 | N2526 | N396-N2526 PolarHBondContact O-ND2 3.19Š| |||
| 397 | H | 26.2 | Very low | 25.5 | Very low | 149 Ų | 149 | 84.1 Ų | 84.1 | 69% | 0.69 | 45% | 0.452 | S | S | * | . | trans | 65.8 | 120 | 142.9 | -90.2 | -55.6 | 0 | 0 | 0 | 123.5 | N2526 | H397-N2526 VanDerWaalsContact O-CG 3.3Å; H397-N2526 PolarHBondContact O-ND2 3.2Å; H397-N2526 PolarHBondContact O-OD1 2.84Å | ||
| 398 | L | 26.8 | Very low | 25.3 | Very low | 34 Ų | 34 | 88.6 Ų | 88.6 | 18% | 0.178 | 47% | 0.474 | C | S | . | . | trans | -107.9 | 126.7 | 172.2 | -170.3 | 161.3 | 0 | 0 | 0 | 112.5 | S2524 V2525 N2526 P2527 G2528 | L398-S2524 WeakPolarHBondContact CD1-OG 3.01Å; L398-V2525 HydrophobicContact CB-CB 4.36Å; L398-V2525 HydrophobicContact CB-CG1 4.41Å; L398-V2525 HydrophobicContact CB-CG2 3.91Å; L398-N2526 WeakPolarHBondContact CA-OD1 3.48Å; L398-N2526 WeakPolarHBondContact CB-OD1 3.34Å; L398-N2526 PolarHBondContact N-OD1 3.33Å; L398-P2527 HydrophobicContact CG-CB 4.36Å; L398-G2528 WeakPolarHBondContact CD1-O 2.94Å | ||
| 399 | I | 27.2 | Very low | 25.1 | Very low | 125 Ų | 125 | 93.5 Ų | 93.5 | 64% | 0.641 | 50% | 0.501 | S | S | * | . | trans | -153.6 | 138.7 | 174.2 | -71.8 | -173.2 | 0 | 0 | 0 | 109.2 | ||||
| 400 | N | 26 | Very low | 25.4 | Very low | 107 Ų | 107 | 100 Ų | 100 | 57% | 0.572 | 54% | 0.536 | S | S | * | . | trans | 65.8 | 179.5 | 159.1 | -72 | -8.4 | 0 | 0 | 0 | 119.3 | ||||
| 401 | I | 23.1 | Very low | 25.7 | Very low | 96 Ų | 96 | 105.8 Ų | 105.8 | 49% | 0.492 | 57% | 0.566 | S | S | . | * | cis | -166.6 | 125.1 | -37.5 | -94.7 | 169.8 | 0 | 0 | 0 | 108.7 | D435 | I401-D435 WeakPolarHBondContact CA-OD1 2.98Å; I401-D435 PolarHBondContact N-OD1 3.45Å | ||
| 402 | Q | 23.1 | Very low | 26.1 | Very low | 105 Ų | 105 | 105 Ų | 105 | 49% | 0.491 | 57% | 0.566 | S | S | . | * | trans | 41.8 | 126.6 | 151 | -63 | 178.4 | 34.1 | 0 | 0 | 121.2 | D435 I436 | Q402-D435 PolarHBondContact N-OD1 2.93Å; Q402-I436 HydrophobicContact CG-CD1 4.27Å | ||
| 403 | K | 22.2 | Very low | 26.4 | Very low | 104 Ų | 104 | 105.2 Ų | 105.2 | 45% | 0.452 | 56% | 0.561 | S | S | . | * | trans | 74.2 | 110.9 | 137.3 | -65.5 | 165.9 | -175.7 | 151.3 | 0 | 119.6 | I2544 L2545 | K403-I2544 HydrophobicContact CD-CD1 4.07Å; K403-I2544 HydrophobicContact CG-CD1 3.87Å; K403-I2544 HydrophobicContact CG-CG1 4.04Å; K403-I2544 HydrophobicContact CG-CG2 4.23Å; K403-L2545 VanDerWaalsContact CA-CD1 3.47Å | ||
| 404 | K | 22.2 | Very low | 26.7 | Very low | 114 Ų | 114 | 106.9 Ų | 106.9 | 50% | 0.496 | 56% | 0.564 | S | S | . | * | trans | 75.4 | 171.2 | 137 | -60.6 | 177.7 | 172.5 | -170.4 | 0 | 116.5 | N434 I2544 L2545 | K404-N434 PolarHBondContact N-O 2.65Å; K404-I2544 HydrophobicContact CD-CG1 4.42Å; K404-I2544 HydrophobicContact CG-CG1 4.1Å; K404-L2545 VanDerWaalsContact N-CD1 3.3Å | ||
| 405 | M | 27.5 | Very low | 26.7 | Very low | 134 Ų | 134 | 105.2 Ų | 105.2 | 66% | 0.66 | 55% | 0.549 | S | S | * | . | trans | 78.4 | 135.7 | 172.8 | -46.2 | -162.4 | -174.7 | 0 | 0 | 110.4 | D432 C433 | M405-D432 CarbonylContact C-O 3.21Å; M405-D432 CarbonylContact O-C 3.57Å; M405-C433 CarbonylContact O-C 3.26Å; M405-C433 WeakPolarHBondContact O-CA 3.34Å; M405-C433 PolarHBondContact O-N 2.87Å; M405-C433 VanDerWaalsContact O-O 3.06Å | ||
| 406 | C | 21.6 | Very low | 26.6 | Very low | 100 Ų | 100 | 102.1 Ų | 102.1 | 68% | 0.676 | 54% | 0.536 | S | S | * | . | 45.5 | 105.1 | 75.4 | -39.3 | 0 | 0 | 0 | 0 | 113.1 | D432 | C406-D432 PolarHBondContact N-O 3.48Š| |||
| 407 | S | 22.7 | Very low | 26.9 | Very low | 65 Ų | 65 | 100.9 Ų | 100.9 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | trans | -160.3 | -137.6 | 163.9 | -84.6 | 0 | 0 | 0 | 0 | 110.9 | N431 D432 | S407-N431 PolarHBondContact N-O 3.4Å; S407-N431 PolarHBondContact O-ND2 3.25Å; S407-D432 WeakPolarHBondContact CA-OD1 3.06Å; S407-D432 WeakPolarHBondContact CB-OD1 3.22Å; S407-D432 PolarHBondContact N-OD1 3.01Å | ||
| 408 | N | 23.5 | Very low | 27.2 | Very low | 108 Ų | 108 | 99.4 Ų | 99.4 | 58% | 0.578 | 52% | 0.521 | S | S | * | . | trans | -159.9 | 172.6 | 176.6 | -50.3 | -106.8 | 0 | 0 | 0 | 109.5 | N431 D432 | N408-N431 PolarHBondContact OD1-ND2 3.48Å; N408-D432 VanDerWaalsContact CA-OD2 3.28Å; N408-D432 WeakPolarHBondContact CA-OD2 2.99Å; N408-D432 PolarHBondContact N-OD1 2.94Å; N408-D432 PolarHBondContact N-OD2 3.35Å | ||
| 409 | I | 24.6 | Very low | 27.3 | Very low | 141 Ų | 141 | 99.7 Ų | 99.7 | 72% | 0.723 | 53% | 0.526 | S | S | * | . | trans | 88 | 104.7 | 151.7 | -64.1 | 154.6 | 0 | 0 | 0 | 118.2 | ||||
| 410 | N | 32.1 | Very low | 27 | Very low | 138 Ų | 138 | 100.7 Ų | 100.7 | 74% | 0.738 | 52% | 0.523 | S | S | * | . | trans | 67.7 | 155 | 138.5 | -63.3 | 10.4 | 0 | 0 | 0 | 123.6 | ||||
| 411 | D | 34.7 | Very low | 27.1 | Very low | 144 Ų | 144 | 99.2 Ų | 99.2 | 77% | 0.77 | 52% | 0.519 | S | S | * | . | trans | 73.6 | 104.9 | 164 | -56.7 | -12.4 | 0 | 0 | 0 | 120.4 | ||||
| 412 | D | 34.2 | Very low | 27.2 | Very low | 56 Ų | 56 | 98.4 Ų | 98.4 | 30% | 0.299 | 52% | 0.516 | S | S | . | . | trans | 66.2 | 86.8 | 149 | -71.7 | -55.8 | 0 | 0 | 0 | 123 | V834 P835 | D412-V834 HydrophobicContact CB-CB 4.17Å; D412-V834 HydrophobicContact CB-CG1 3.93Å; D412-V834 WeakPolarHBondContact OD1-CG1 3.01Å; D412-P835 HydrophobicContact CB-CB 4.31Å; D412-P835 HydrophobicContact CB-CG 3.9Å; D412-P835 VanDerWaalsContact OD2-CB 3.29Å; D412-P835 WeakPolarHBondContact OD2-CB 3.37Å; D412-P835 VanDerWaalsContact OD2-CG 3.25Å; D412-P835 WeakPolarHBondContact OD2-CG 3.26Å | ||
| 413 | N | 36.3 | Very low | 27.3 | Very low | 98 Ų | 98 | 95.8 Ų | 95.8 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | 90.5 | 59.9 | 86.4 | -89.7 | -47.3 | 0 | 0 | 0 | 117.4 | E832 S833 V834 | N413-E832 CarbonylContact O-C 3.49Å; N413-E832 WeakPolarHBondContact O-CA 2.81Å; N413-S833 PolarHBondContact O-N 2.68Å; N413-V834 HydrophobicContact CB-CB 3.93Å; N413-V834 HydrophobicContact CB-CG1 3.95Å; N413-V834 HydrophobicContact CB-CG2 4.09Å | |||
| 414 | N | 32 | Very low | 27.4 | Very low | 108 Ų | 108 | 94.8 Ų | 94.8 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | 50.6 | 114.4 | 100.9 | -144 | -13.7 | 0 | 0 | 0 | 117.4 | E832 | N414-E832 WeakPolarHBondContact CA-OE1 3.3Å; N414-E832 PolarHBondContact N-OE1 2.73Å | |||
| 415 | D | 24.5 | Very low | 27.4 | Very low | 42 Ų | 42 | 93.9 Ų | 93.9 | 23% | 0.225 | 51% | 0.508 | C | S | . | . | 14.1 | 139 | 112.2 | -105.6 | -40 | 0 | 0 | 0 | 116.3 | I830 Q831 | D415-I830 WeakPolarHBondContact OD2-CG1 3.14Å; D415-Q831 WeakPolarHBondContact CA-O 3.28Å; D415-Q831 WeakPolarHBondContact CB-O 3.17Å; D415-Q831 VanDerWaalsContact CG-O 3.27Å; D415-Q831 PolarHBondContact N-O 3.13Å; D415-Q831 WeakPolarHBondContact OD1-CB 3.09Å; D415-Q831 PolarHBondContact OD1-NE2 3.4Å | |||
| 416 | C | 24.2 | Very low | 27.3 | Very low | 59 Ų | 59 | 91.8 Ų | 91.8 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | cis | -163.3 | -172.6 | 22.6 | -163.1 | 0 | 0 | 0 | 0 | 112.6 | Q831 K854 | C416-Q831 VanDerWaalsContact C-OE1 3.31Å; C416-Q831 PolarHBondContact SG-NE2 2.84Å; C416-K854 PolarHBondContact O-NZ 3.35Å | ||
| 417 | N | 29.4 | Very low | 27.4 | Very low | 91 Ų | 91 | 93.5 Ų | 93.5 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | trans | 68.7 | 131.5 | 154.9 | -75.4 | -65.8 | 0 | 0 | 0 | 121.2 | K854 | N417-K854 VanDerWaalsContact C-NZ 3.3Å; N417-K854 WeakPolarHBondContact O-CD 3.48Å; N417-K854 WeakPolarHBondContact O-CE 3.17Å; N417-K854 PolarHBondContact O-NZ 2.7Å | ||
| 418 | K | 33 | Very low | 27.4 | Very low | 118 Ų | 118 | 95.9 Ų | 95.9 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | 174.1 | 120.2 | 108.9 | -91.9 | 153.5 | -172.4 | 156 | 0 | 110.2 | |||||
| 419 | S | 29.1 | Very low | 27.4 | Very low | 41 Ų | 41 | 97.5 Ų | 97.5 | 29% | 0.287 | 51% | 0.511 | S | S | . | . | S | Bend | -148.4 | 119.8 | 74.4 | 45.9 | 0 | 0 | 0 | 0 | 115.4 | |||
| 420 | Y | 21.6 | Very low | 27.3 | Very low | 146 Ų | 146 | 96 Ų | 96 | 57% | 0.573 | 51% | 0.512 | S | S | * | . | -157 | 151.4 | 114.2 | -118.8 | -90.5 | 0 | 0 | 0 | 108.2 | Q366 P367 | Q366-Y420 WeakPolarHBondContact O-CE1 3.43Å; Q366-Y420 PolarHBondContact O-OH 2.97Å; Q366-Y420 VanDerWaalsContact O-OH 3.09Å; P367-Y420 PolarHBondContact O-OH 3.29Å | |||
| 421 | P | 27.2 | Very low | 27.1 | Very low | 75 Ų | 75 | 92.9 Ų | 92.9 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | trans | -72.9 | 122.1 | 157.3 | 29.4 | -31.8 | 0 | 0 | 0 | 109.6 | ||||
| 422 | N | 26.3 | Very low | 26.8 | Very low | 80 Ų | 80 | 89.9 Ų | 89.9 | 43% | 0.428 | 48% | 0.479 | S | S | . | . | -179.7 | 129.8 | 117 | -94.4 | -58.1 | 0 | 0 | 0 | 114.4 | G364 | G364-N422 PolarHBondContact N-ND2 3.45Å; G364-N422 VanDerWaalsContact N-ND2 3.1Å; G364-N422 PolarHBondContact O-ND2 2.67Å | |||
| 423 | C | 24.7 | Very low | 26.7 | Very low | 50 Ų | 50 | 90.2 Ų | 90.2 | 34% | 0.338 | 49% | 0.486 | S | S | . | . | trans | 55.6 | 105.6 | 136.9 | -60.1 | 0 | 0 | 0 | 0 | 122.4 | S645 | C423-S645 CarbonylContact O-C 3.42Å; C423-S645 VanDerWaalsContact O-C 3.26Å; C423-S645 WeakPolarHBondContact O-CB 3.46Å | ||
| 424 | L | 23 | Very low | 26.6 | Very low | 83 Ų | 83 | 89.8 Ų | 89.8 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | 93.4 | 120.1 | 129.1 | -86.9 | 86.7 | 0 | 0 | 0 | 123.3 | D648 | L424-D648 WeakPolarHBondContact CD2-O 3.14Š| |||
| 425 | D | 23.8 | Very low | 26.5 | Very low | 94 Ų | 94 | 85.9 Ų | 85.9 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | trans | 62.7 | 145.8 | 130.4 | -70.4 | 38 | 0 | 0 | 0 | 125.5 | ||||
| 426 | N | 24.7 | Very low | 26.7 | Very low | 91 Ų | 91 | 86.5 Ų | 86.5 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | trans | 74.3 | 107.9 | 165.9 | -62.5 | -58.1 | 0 | 0 | 0 | 118.5 | E649 K651 | N426-E649 PolarHBondContact ND2-O 3.04Å; N426-K651 WeakPolarHBondContact OD1-CE 3.3Å; N426-K651 WeakPolarHBondContact OD1-CG 3.42Å; N426-K651 PolarHBondContact OD1-NZ 2.95Å | ||
| 427 | K | 23.9 | Very low | 26.9 | Very low | 136 Ų | 136 | 88 Ų | 88 | 59% | 0.591 | 47% | 0.468 | S | S | * | . | cis | 89.9 | 133.6 | 14 | -158.3 | -161.7 | -177.4 | -173.9 | 0 | 117 | K651 | K427-K651 HydrophobicContact CB-CG 4.18Å; K427-K651 HydrophobicContact CD-CB 3.48Å; K427-K651 VanDerWaalsContact CD-CB 3.48Å; K427-K651 HydrophobicContact CD-CD 3.97Å; K427-K651 HydrophobicContact CD-CG 3.69Å; K427-K651 PolarHBondContact NZ-O 3.31Å; K427-K651 PolarHBondContact O-NZ 2.73Å | ||
| 428 | L | 23.1 | Very low | 27 | Very low | 115 Ų | 115 | 88.8 Ų | 88.8 | 60% | 0.602 | 47% | 0.469 | S | S | * | . | trans | 84 | 141.6 | -172.5 | -48 | 172.3 | 0 | 0 | 0 | 112.7 | K651 | L428-K651 HydrophobicContact CD1-CD 4.34Å; L428-K651 HydrophobicContact CG-CD 4.48Å | ||
| 429 | D | 22.7 | Very low | 26.7 | Very low | 141 Ų | 141 | 86.3 Ų | 86.3 | 75% | 0.754 | 46% | 0.459 | S | S | * | . | cis | -173.5 | 160.9 | -16.7 | -89.6 | -22.1 | 0 | 0 | 0 | 107.2 | ||||
| 430 | C | 23.4 | Very low | 26.7 | Very low | 110 Ų | 110 | 85.3 Ų | 85.3 | 74% | 0.743 | 45% | 0.45 | S | S | * | . | cis | -171.2 | -169.6 | -29.2 | -155.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 431 | N | 27.6 | Very low | 27 | Very low | 73 Ų | 73 | 78.8 Ų | 78.8 | 39% | 0.39 | 43% | 0.426 | S | S | . | . | trans | 75.2 | 44.7 | 160.2 | -72 | 57.8 | 0 | 0 | 0 | 122.6 | S407 N408 | S407-N431 PolarHBondContact N-O 3.4Å; S407-N431 PolarHBondContact O-ND2 3.25Å; N408-N431 PolarHBondContact OD1-ND2 3.48Å | ||
| 432 | D | 27.6 | Very low | 27.1 | Very low | 80 Ų | 80 | 76.4 Ų | 76.4 | 43% | 0.428 | 41% | 0.41 | S | S | . | . | trans | 50.3 | -172.7 | 141.4 | 54.8 | 72.6 | 0 | 0 | 0 | 120.2 | M405 C406 S407 N408 | M405-D432 CarbonylContact C-O 3.21Å; M405-D432 CarbonylContact O-C 3.57Å; C406-D432 PolarHBondContact N-O 3.48Å; S407-D432 WeakPolarHBondContact CA-OD1 3.06Å; S407-D432 WeakPolarHBondContact CB-OD1 3.22Å; S407-D432 PolarHBondContact N-OD1 3.01Å; N408-D432 VanDerWaalsContact CA-OD2 3.28Å; N408-D432 WeakPolarHBondContact CA-OD2 2.99Å; N408-D432 PolarHBondContact N-OD1 2.94Å; N408-D432 PolarHBondContact N-OD2 3.35Å | ||
| 433 | C | 32.3 | Very low | 27.2 | Very low | 64 Ų | 64 | 77 Ų | 77 | 43% | 0.432 | 41% | 0.412 | S | S | . | . | cis | -160.1 | -169.7 | 6.9 | -153.3 | 0 | 0 | 0 | 0 | 114.2 | M405 | M405-C433 CarbonylContact O-C 3.26Å; M405-C433 WeakPolarHBondContact O-CA 3.34Å; M405-C433 PolarHBondContact O-N 2.87Å; M405-C433 VanDerWaalsContact O-O 3.06Å | ||
| 434 | N | 33.7 | Very low | 27.3 | Very low | 89 Ų | 89 | 80.8 Ų | 80.8 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | trans | 45.1 | 114.5 | 164.6 | -86.9 | 75.2 | 0 | 0 | 0 | 124.6 | K404 L2545 | K404-N434 PolarHBondContact N-O 2.65Å; N434-L2545 WeakPolarHBondContact O-CD1 3.24Å; N434-L2545 WeakPolarHBondContact O-CD2 3.25Å | ||
| 435 | D | 30.3 | Very low | 27.6 | Very low | 25 Ų | 25 | 85.6 Ų | 85.6 | 13% | 0.134 | 45% | 0.453 | C | S | . | . | trans | 87.1 | 125.2 | 139.5 | -88.2 | -93.3 | 0 | 0 | 0 | 124.3 | I401 Q402 L2545 | I401-D435 WeakPolarHBondContact CA-OD1 2.98Å; I401-D435 PolarHBondContact N-OD1 3.45Å; Q402-D435 PolarHBondContact N-OD1 2.93Å; D435-L2545 WeakPolarHBondContact O-CB 3.3Å; D435-L2545 WeakPolarHBondContact O-CD1 3.34Å; D435-L2545 WeakPolarHBondContact O-CG 3.28Å | ||
| 436 | I | 29 | Very low | 27.8 | Very low | 55 Ų | 55 | 89 Ų | 89 | 28% | 0.282 | 47% | 0.466 | S | S | . | . | trans | 82.9 | 129.5 | 140.7 | -76.1 | 175.9 | 0 | 0 | 0 | 121.3 | Q402 T2529 | Q402-I436 HydrophobicContact CG-CD1 4.27Å; I436-T2529 HydrophobicContact CB-CG2 4.37Å; I436-T2529 HydrophobicContact CG1-CG2 3.56Å | ||
| 437 | I | 29 | Very low | 27.9 | Very low | 90 Ų | 90 | 91.5 Ų | 91.5 | 46% | 0.462 | 47% | 0.47 | S | S | . | . | trans | 77 | 135.6 | 160.2 | -83.4 | 166 | 0 | 0 | 0 | 121.6 | Q2530 | I437-Q2530 WeakPolarHBondContact CA-O 3.09Å; I437-Q2530 PolarHBondContact N-O 3.23Å | ||
| 438 | H | 30.3 | Very low | 28 | Very low | 108 Ų | 108 | 88.4 Ų | 88.4 | 50% | 0.5 | 46% | 0.462 | S | S | . | . | trans | -152.4 | 174.5 | 158.3 | 30.5 | 51.8 | 0 | 0 | 0 | 109.8 | A2532 | H438-A2532 WeakPolarHBondContact O-CB 3.35Š| ||
| 439 | E | 27.4 | Very low | 28.2 | Very low | 66 Ų | 66 | 86.5 Ų | 86.5 | 31% | 0.308 | 46% | 0.459 | S | S | . | . | trans | -144.9 | 174.5 | -176.5 | -61.6 | -148.6 | 75.3 | 0 | 0 | 108.9 | A2532 S2533 N2534 | E439-A2532 HydrophobicContact CG-CB 3.67Å; E439-S2533 VanDerWaalsContact CB-C 3.48Å; E439-S2533 VanDerWaalsContact CG-N 3.28Å; E439-S2533 VanDerWaalsContact OE1-C 3.24Å; E439-S2533 WeakPolarHBondContact OE1-CA 3.45Å; E439-S2533 VanDerWaalsContact OE1-CB 3.3Å; E439-S2533 WeakPolarHBondContact OE1-CB 3.44Å; E439-S2533 PolarHBondContact OE1-N 3.41Å; E439-S2533 PolarHBondContact OE1-OG 2.69Å; E439-N2534 WeakPolarHBondContact CB-O 3.44Å; E439-N2534 VanDerWaalsContact CD-N 3.32Å; E439-N2534 VanDerWaalsContact CG-O 3.3Å; E439-N2534 WeakPolarHBondContact CG-O 3.48Å; E439-N2534 PolarHBondContact OE1-N 2.69Å; E439-N2534 PolarHBondContact OE1-ND2 2.83Å; E439-N2534 PolarHBondContact OE2-ND2 3.37Å | ||
| 440 | N | 29.6 | Very low | 28.4 | Very low | 20 Ų | 20 | 82.9 Ų | 82.9 | 11% | 0.107 | 44% | 0.444 | C | S | . | . | trans | 116.2 | 136.1 | 143.7 | -56.4 | -31.3 | 0 | 0 | 0 | 128.8 | L462 N463 P464 S2533 N2534 S2535 G2536 K2554 | N440-L462 HydrophobicContact CB-CB 3.63Å; N440-L462 WeakPolarHBondContact CB-O 3.37Å; N440-L462 VanDerWaalsContact CG-O 3.3Å; N440-L462 PolarHBondContact ND2-O 3.06Å; N440-L462 WeakPolarHBondContact O-CD2 3.47Å; N440-N463 HydrophobicContact CB-CB 4.13Å; N440-P464 VanDerWaalsContact CA-CD 3.4Å; N440-P464 HydrophobicContact CB-CG 3.83Å; N440-P464 WeakPolarHBondContact OD1-CD 3.45Å; N440-P464 WeakPolarHBondContact OD1-CG 3.39Å; N440-S2533 WeakPolarHBondContact CA-O 3.19Å; N440-S2533 PolarHBondContact N-O 2.94Å; N440-N2534 WeakPolarHBondContact OD1-CA 3.34Å; N440-N2534 PolarHBondContact OD1-O 2.85Å; N440-S2535 PolarHBondContact OD1-N 2.79Å; N440-S2535 VanDerWaalsContact OD1-N 3.12Å; N440-G2536 VanDerWaalsContact CG-N 3.3Å; N440-G2536 VanDerWaalsContact ND2-C 3.29Å; N440-G2536 VanDerWaalsContact ND2-CA 3.34Å; N440-G2536 WeakPolarHBondContact ND2-CA 3.31Å; N440-G2536 PolarHBondContact ND2-N 2.69Å; N440-G2536 PolarHBondContact ND2-O 3.18Å; N440-G2536 PolarHBondContact OD1-N 2.89Å; N440-K2554 PolarHBondContact O-NZ 2.82Å | ||
| 441 | S | 27.3 | Very low | 28.3 | Very low | 10 Ų | 10 | 83.4 Ų | 83.4 | 7% | 0.07 | 44% | 0.44 | C | S | . | . | trans | -157.6 | 133 | 166.3 | 53.2 | 0 | 0 | 0 | 0 | 121.4 | N463 P464 N1897 E1901 | S441-N463 WeakPolarHBondContact CA-ND2 3.36Å; S441-P464 VanDerWaalsContact O-CA 3.29Å; S441-P464 WeakPolarHBondContact O-CA 3.13Å; S441-P464 WeakPolarHBondContact O-CB 3.16Å; S441-N1897 PolarHBondContact O-ND2 3.22Å; S441-E1901 VanDerWaalsContact CB-OE1 3.3Å; S441-E1901 WeakPolarHBondContact CB-OE1 3.11Å; S441-E1901 WeakPolarHBondContact OG-CG 3.43Å; S441-E1901 PolarHBondContact OG-OE1 2.62Å | ||
| 442 | N | 30.6 | Very low | 28.1 | Very low | 25 Ų | 25 | 82.2 Ų | 82.2 | 13% | 0.134 | 43% | 0.433 | C | S | . | . | trans | -167.1 | -148.5 | -163.4 | -136.4 | 25 | 0 | 0 | 0 | 124.6 | N463 P464 E465 N1897 | N442-N463 HydrophobicContact CB-CB 3.42Å; N442-N463 VanDerWaalsContact CB-CB 3.42Å; N442-N463 WeakPolarHBondContact CB-O 3.37Å; N442-N463 WeakPolarHBondContact CB-OD1 3.08Å; N442-N463 PolarHBondContact N-ND2 2.72Å; N442-N463 PolarHBondContact N-OD1 2.7Å; N442-N463 PolarHBondContact ND2-O 3.42Å; N442-P464 WeakPolarHBondContact ND2-CA 3.2Å; N442-E465 PolarHBondContact ND2-N 3.45Å; N442-E465 PolarHBondContact OD1-N 3.12Å; N442-E465 PolarHBondContact OD1-O 3.46Å; N442-N1897 VanDerWaalsContact CA-OD1 3.3Å; N442-N1897 WeakPolarHBondContact CA-OD1 3.42Å; N442-N1897 PolarHBondContact OD1-ND2 3.48Å | ||
| 443 | I | 27.5 | Very low | 27.8 | Very low | 93 Ų | 93 | 81.9 Ų | 81.9 | 48% | 0.477 | 43% | 0.434 | S | S | . | . | trans | -114.6 | 147.6 | -150.1 | -5.8 | 176.5 | 0 | 0 | 0 | 121 | L1893 | I443-L1893 HydrophobicContact CD1-CD2 4.23Å; I443-L1893 HydrophobicContact CG1-CD2 4.07Å; I443-L1893 HydrophobicContact CG2-CD2 4.3Å | ||
| 444 | T | 26 | Very low | 27.3 | Very low | 129 Ų | 129 | 81.6 Ų | 81.6 | 79% | 0.791 | 43% | 0.428 | S | S | * | . | trans | 85.7 | 128.7 | 144.1 | 21.4 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 445 | H | 29 | Very low | 27 | Very low | 183 Ų | 183 | 82.9 Ų | 82.9 | 85% | 0.847 | 43% | 0.434 | S | S | * | . | trans | -107.2 | 138.3 | 158.3 | -100.8 | -68.9 | 0 | 0 | 0 | 111.1 | ||||
| 446 | Q | 28.5 | Very low | 26.9 | Very low | 165 Ų | 165 | 86.7 Ų | 86.7 | 77% | 0.771 | 45% | 0.454 | S | S | * | . | trans | -161.7 | 138.1 | 157.7 | -107.7 | -174 | 30.6 | 0 | 0 | 114.6 | ||||
| 447 | Y | 26.9 | Very low | 26.7 | Very low | 144 Ų | 144 | 90.3 Ų | 90.3 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | trans | 56.6 | 139.7 | 144.4 | -73.8 | -55.3 | 0 | 0 | 0 | 126.6 | ||||
| 448 | T | 27.1 | Very low | 26.6 | Very low | 71 Ų | 71 | 91.7 Ų | 91.7 | 44% | 0.436 | 49% | 0.486 | S | S | . | . | trans | 76 | 142.2 | 132.9 | 53 | 0 | 0 | 0 | 0 | 125.5 | T631 N632 | T448-T631 CarbonylContact C-O 3.19Å; T448-T631 CarbonylContact O-C 3.48Å; T448-N632 CarbonylContact O-C 3.31Å; T448-N632 PolarHBondContact O-N 3.18Å | ||
| 449 | S | 27 | Very low | 26.5 | Very low | 75 Ų | 75 | 91.7 Ų | 91.7 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | 67.1 | 107.7 | 125 | -173.6 | 0 | 0 | 0 | 0 | 124.9 | T631 N632 | S449-T631 PolarHBondContact N-O 3.28Å; S449-T631 VanDerWaalsContact N-O 3.09Å; S449-N632 CarbonylContact C-O 3.58Å | |||
| 450 | S | 25.6 | Very low | 26.5 | Very low | 65 Ų | 65 | 94.2 Ų | 94.2 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | trans | 73.3 | 129.8 | 148.4 | -101.4 | 0 | 0 | 0 | 0 | 119.7 | N632 | S450-N632 VanDerWaalsContact O-CB 3.25Å; S450-N632 WeakPolarHBondContact O-CB 3.43Å | ||
| 451 | D | 22.2 | Very low | 26.6 | Very low | 122 Ų | 122 | 98.3 Ų | 98.3 | 65% | 0.652 | 52% | 0.52 | S | S | * | . | trans | 51.3 | -175.9 | 140 | -62.1 | -75.5 | 0 | 0 | 0 | 119.3 | N632 | D451-N632 PolarHBondContact O-ND2 3.37Š| ||
| 452 | I | 22.7 | Very low | 26.7 | Very low | 48 Ų | 48 | 99.6 Ų | 99.6 | 25% | 0.246 | 53% | 0.526 | C | S | . | . | trans | 62 | 102.4 | 166.8 | -60.2 | 177.1 | 0 | 0 | 0 | 114.2 | N632 Y635 L636 N637 | I452-N632 PolarHBondContact O-ND2 2.84Å; I452-Y635 HydrophobicContact CD1-CD1 3.63Å; I452-Y635 HydrophobicContact CD1-CE1 3.8Å; I452-L636 HydrophobicContact CD1-CD2 4.41Å; I452-N637 HydrophobicContact CG2-CB 4.26Å | ||
| 453 | V | 22.5 | Very low | 27 | Very low | 72 Ų | 72 | 101.1 Ų | 101.1 | 44% | 0.436 | 54% | 0.535 | S | S | . | . | 67.1 | 70.7 | 70.4 | -170.6 | 0 | 0 | 0 | 0 | 114 | N637 S638 | V453-N637 CarbonylContact O-C 3.57Å; V453-N637 WeakPolarHBondContact O-CA 3.04Å; V453-N637 PolarHBondContact O-N 3.46Å; V453-S638 PolarHBondContact O-N 3.07Å; V453-S638 VanDerWaalsContact O-N 3.09Å | |||
| 454 | L | 21.7 | Very low | 26.9 | Very low | 59 Ų | 59 | 97.5 Ų | 97.5 | 31% | 0.309 | 52% | 0.517 | S | S | . | . | B | Isolated β-bridge | trans | 70.7 | -170.9 | 136.1 | -72.4 | 124.9 | 0 | 0 | 0 | 119.2 | S638 T641 | L454-S638 WeakPolarHBondContact CB-O 3.03Å; L454-T641 HydrophobicContact CD1-CG2 4.19Å |
| 455 | L | 26.1 | Very low | 27 | Very low | 115 Ų | 115 | 97.3 Ų | 97.3 | 60% | 0.602 | 51% | 0.507 | S | S | * | . | 46.4 | 121.3 | -111 | -76 | 73.9 | 0 | 0 | 0 | 112.7 | S638 | L455-S638 WeakPolarHBondContact CD1-OG 3.45Š| |||
| 456 | N | 28.7 | Very low | 26.9 | Very low | 105 Ų | 105 | 93.4 Ų | 93.4 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | 69.8 | 133.2 | 54.8 | -64.6 | -25.4 | 0 | 0 | 0 | 112.3 | |||||
| 457 | N | 24.9 | Very low | 26.8 | Very low | 132 Ų | 132 | 91.2 Ų | 91.2 | 71% | 0.706 | 49% | 0.486 | S | S | * | . | 42.7 | 151.8 | 127.4 | -50.2 | -6.2 | 0 | 0 | 0 | 119.4 | |||||
| 458 | V | 27 | Very low | 27 | Very low | 118 Ų | 118 | 90.4 Ų | 90.4 | 72% | 0.715 | 49% | 0.487 | S | S | * | . | trans | 63.1 | 97.5 | 135.9 | 164.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 459 | N | 27.7 | Very low | 27 | Very low | 109 Ų | 109 | 91.9 Ų | 91.9 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | cis | -164.6 | 148.2 | 33.5 | -104.4 | -9.3 | 0 | 0 | 0 | 110.8 | ||||
| 460 | Q | 28.2 | Very low | 26.9 | Very low | 119 Ų | 119 | 94.4 Ų | 94.4 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | 68.4 | -178.5 | 109.1 | -61.4 | 170.6 | -61.5 | 0 | 0 | 113.2 | |||||
| 461 | E | 31.8 | Very low | 26.7 | Very low | 105 Ų | 105 | 98 Ų | 98 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | trans | 60 | 105 | 138.6 | -77.6 | 144.4 | -140.4 | 0 | 0 | 116.7 | N463 | E461-N463 PolarHBondContact O-N 2.88Š| ||
| 462 | L | 29.9 | Very low | 26.5 | Very low | 37 Ų | 37 | 93.8 Ų | 93.8 | 19% | 0.194 | 49% | 0.491 | C | S | . | . | 54.2 | 56 | 66.2 | -41.2 | 161.7 | 0 | 0 | 0 | 112.7 | N440 G2536 | N440-L462 HydrophobicContact CB-CB 3.63Å; N440-L462 WeakPolarHBondContact CB-O 3.37Å; N440-L462 VanDerWaalsContact CG-O 3.3Å; N440-L462 PolarHBondContact ND2-O 3.06Å; N440-L462 WeakPolarHBondContact O-CD2 3.47Å; L462-G2536 WeakPolarHBondContact O-CA 3.34Å | |||
| 463 | N | 36.3 | Very low | 26.5 | Very low | 58 Ų | 58 | 99 Ų | 99 | 31% | 0.31 | 52% | 0.519 | S | S | . | . | 103.1 | -114.6 | 87.8 | -74.9 | -27.3 | 0 | 0 | 0 | 128.7 | N440 S441 N442 E461 | N440-N463 HydrophobicContact CB-CB 4.13Å; S441-N463 WeakPolarHBondContact CA-ND2 3.36Å; N442-N463 HydrophobicContact CB-CB 3.42Å; N442-N463 VanDerWaalsContact CB-CB 3.42Å; N442-N463 WeakPolarHBondContact CB-O 3.37Å; N442-N463 WeakPolarHBondContact CB-OD1 3.08Å; N442-N463 PolarHBondContact N-ND2 2.72Å; N442-N463 PolarHBondContact N-OD1 2.7Å; N442-N463 PolarHBondContact ND2-O 3.42Å; E461-N463 PolarHBondContact O-N 2.88Å | |||
| 464 | P | 25.8 | Very low | 26.4 | Very low | 17 Ų | 17 | 100.2 Ų | 100.2 | 11% | 0.11 | 52% | 0.523 | C | S | . | . | -75.4 | 132.4 | -127 | 25.1 | -35.8 | 0 | 0 | 0 | 121.3 | N440 S441 N442 S2535 G2536 | N440-P464 VanDerWaalsContact CA-CD 3.4Å; N440-P464 HydrophobicContact CB-CG 3.83Å; N440-P464 WeakPolarHBondContact OD1-CD 3.45Å; N440-P464 WeakPolarHBondContact OD1-CG 3.39Å; S441-P464 VanDerWaalsContact O-CA 3.29Å; S441-P464 WeakPolarHBondContact O-CA 3.13Å; S441-P464 WeakPolarHBondContact O-CB 3.16Å; N442-P464 WeakPolarHBondContact ND2-CA 3.2Å; P464-S2535 CarbonylContact O-C 3.17Å; P464-S2535 VanDerWaalsContact O-CA 3.22Å; P464-S2535 WeakPolarHBondContact O-CA 3.45Å; P464-G2536 VanDerWaalsContact CD-CA 3.45Å | |||
| 465 | E | 26.9 | Very low | 26.4 | Very low | 125 Ų | 125 | 102.7 Ų | 102.7 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | trans | -151.6 | 124.7 | 151.7 | -60.6 | -171.5 | 140.4 | 0 | 0 | 107.1 | N442 | N442-E465 PolarHBondContact ND2-N 3.45Å; N442-E465 PolarHBondContact OD1-N 3.12Å; N442-E465 PolarHBondContact OD1-O 3.46Å | ||
| 466 | L | 27.5 | Very low | 26.2 | Very low | 100 Ų | 100 | 103.6 Ų | 103.6 | 52% | 0.524 | 54% | 0.536 | S | S | . | . | -132.1 | 116.8 | 51.5 | -81.6 | 151 | 0 | 0 | 0 | 113.4 | H468 L1893 | L466-H468 VanDerWaalsContact C-N 3.32Å; L466-H468 HydrophobicContact CD2-CB 4.15Å; L466-H468 PolarHBondContact O-N 3.49Å; L466-L1893 HydrophobicContact CD1-CD1 3.98Å | |||
| 467 | D | 25.5 | Very low | 25.9 | Very low | 119 Ų | 119 | 106 Ų | 106 | 64% | 0.636 | 55% | 0.548 | S | S | * | . | trans | -72.7 | 96.4 | 130.2 | 171.3 | 17.7 | 0 | 0 | 0 | 107.7 | N469 | D467-N469 PolarHBondContact OD1-ND2 3.42Š| ||
| 468 | H | 31.7 | Very low | 25.8 | Very low | 128 Ų | 128 | 103.7 Ų | 103.7 | 59% | 0.593 | 54% | 0.542 | S | S | * | . | trans | -154.4 | 118.5 | 141.9 | -86.9 | -17.2 | 0 | 0 | 0 | 108.4 | L466 | L466-H468 VanDerWaalsContact C-N 3.32Å; L466-H468 HydrophobicContact CD2-CB 4.15Å; L466-H468 PolarHBondContact O-N 3.49Å | ||
| 469 | N | 28.2 | Very low | 25.9 | Very low | 102 Ų | 102 | 105.4 Ų | 105.4 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | 60.6 | 118.2 | 68.2 | -85.8 | -75.9 | 0 | 0 | 0 | 115.3 | D467 | D467-N469 PolarHBondContact OD1-ND2 3.42Š| |||
| 470 | L | 23 | Very low | 25.6 | Very low | 128 Ų | 128 | 107.6 Ų | 107.6 | 67% | 0.67 | 55% | 0.553 | S | S | * | * | trans | 71.8 | 157.8 | 139.6 | -68 | 168.5 | 0 | 0 | 0 | 120.3 | ||||
| 471 | I | 23.1 | Very low | 25.5 | Very low | 140 Ų | 140 | 106.8 Ų | 106.8 | 72% | 0.718 | 56% | 0.558 | S | S | * | * | trans | 44.6 | 84.4 | 143.2 | -64.1 | 164.7 | 0 | 0 | 0 | 112.8 | ||||
| 472 | S | 17.2 | Very low | 25.3 | Very low | 33 Ų | 33 | 109.9 Ų | 109.9 | 23% | 0.231 | 57% | 0.573 | C | S | . | * | 46 | 113.2 | 85.1 | -155.1 | 0 | 0 | 0 | 0 | 111.8 | N474 | S472-N474 PolarHBondContact O-N 2.64Š| |||
| 473 | L | 22.6 | Very low | 25.3 | Very low | 158 Ų | 158 | 112.4 Ų | 112.4 | 83% | 0.827 | 59% | 0.594 | S | S | * | * | trans | -52.5 | 98.7 | 133.4 | -75.5 | 166.9 | 0 | 0 | 0 | 106.1 | D475 | L473-D475 PolarHBondContact O-N 2.8Š| ||
| 474 | N | 20.2 | Very low | 24.5 | Very low | 97 Ų | 97 | 116.2 Ų | 116.2 | 52% | 0.519 | 61% | 0.614 | S | S | . | * | trans | -94.8 | 58.5 | 162.9 | -165.3 | 25 | 0 | 0 | 0 | 106.5 | S472 K476 | S472-N474 PolarHBondContact O-N 2.64Å; N474-K476 WeakPolarHBondContact O-CD 3.37Å; N474-K476 PolarHBondContact O-N 3.44Å; N474-K476 PolarHBondContact OD1-NZ 2.83Å | ||
| 475 | D | 22.9 | Very low | 24.3 | Very low | 112 Ų | 112 | 121 Ų | 121 | 60% | 0.599 | 65% | 0.645 | S | S | * | * | trans | 25 | -106.3 | 169.2 | 55.1 | -80.8 | 0 | 0 | 0 | 115.7 | L473 L477 | L473-D475 PolarHBondContact O-N 2.8Å; D475-L477 PolarHBondContact O-N 2.97Å | ||
| 476 | K | 21.5 | Very low | 24.1 | Very low | 133 Ų | 133 | 116.6 Ų | 116.6 | 58% | 0.578 | 63% | 0.627 | S | S | * | * | trans | 44.6 | 64.3 | 171.6 | -71 | 87.3 | -159.2 | 156 | 0 | 114.9 | N474 | N474-K476 WeakPolarHBondContact O-CD 3.37Å; N474-K476 PolarHBondContact O-N 3.44Å; N474-K476 PolarHBondContact OD1-NZ 2.83Å | ||
| 477 | L | 21.9 | Very low | 23.8 | Very low | 155 Ų | 155 | 112.6 Ų | 112.6 | 81% | 0.812 | 61% | 0.607 | S | S | * | * | trans | 83.2 | 157 | 175.2 | -51.7 | 179.4 | 0 | 0 | 0 | 113.4 | D475 | D475-L477 PolarHBondContact O-N 2.97Š| ||
| 478 | S | 23.8 | Very low | 23.8 | Very low | 84 Ų | 84 | 113.3 Ų | 113.3 | 59% | 0.587 | 61% | 0.611 | S | S | * | * | cis | -129.6 | 144.4 | 16.7 | -98.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 479 | Q | 28.1 | Very low | 23.9 | Very low | 155 Ų | 155 | 117.6 Ų | 117.6 | 72% | 0.724 | 62% | 0.622 | S | S | * | * | trans | 60 | 96.3 | 140.8 | -65.2 | 166.7 | 77.1 | 0 | 0 | 115.2 | ||||
| 480 | L | 22.1 | Very low | 23.7 | Very low | 155 Ų | 155 | 116.9 Ų | 116.9 | 81% | 0.812 | 63% | 0.625 | S | S | * | * | 34 | 119.8 | 73 | -59.5 | 96.7 | 0 | 0 | 0 | 111.5 | |||||
| 481 | P | 26.2 | Very low | 23.8 | Very low | 102 Ų | 102 | 112.7 Ų | 112.7 | 66% | 0.662 | 61% | 0.607 | S | S | * | * | -153.9 | -173 | 64.7 | 40.3 | -19.7 | 0 | 0 | 0 | 116.7 | |||||
| 482 | Q | 27.4 | Very low | 24 | Very low | 170 Ų | 170 | 109.1 Ų | 109.1 | 79% | 0.794 | 59% | 0.592 | S | S | * | * | trans | 68.8 | 103.7 | 140.2 | -82.3 | 159.6 | 49.1 | 0 | 0 | 121 | ||||
| 483 | S | 28.9 | Very low | 24.3 | Very low | 90 Ų | 90 | 114.3 Ų | 114.3 | 63% | 0.629 | 62% | 0.623 | S | S | * | * | 69.4 | 101.5 | 123.2 | 65.5 | 0 | 0 | 0 | 0 | 120 | |||||
| 484 | N | 20.9 | Very low | 24.5 | Very low | 138 Ų | 138 | 112.4 Ų | 112.4 | 74% | 0.738 | 62% | 0.618 | S | S | * | * | trans | 69.9 | 94.7 | 134 | -52.7 | -17.4 | 0 | 0 | 0 | 117 | P486 | N484-P486 HydrophobicContact CB-CG 4.1Å; N484-P486 WeakPolarHBondContact O-CD 3.22Å; N484-P486 VanDerWaalsContact O-CG 3.26Å; N484-P486 WeakPolarHBondContact O-CG 3.4Å | ||
| 485 | P | 20.4 | Very low | 24.6 | Very low | 118 Ų | 118 | 110.9 Ų | 110.9 | 77% | 0.766 | 62% | 0.618 | S | S | * | * | trans | -104.3 | 87.7 | 171.1 | 36.1 | -28 | 0 | 0 | 0 | 113.4 | ||||
| 486 | P | 22.6 | Very low | 24.7 | Very low | 31 Ų | 31 | 111.8 Ų | 111.8 | 20% | 0.201 | 62% | 0.622 | C | S | . | * | trans | -116.2 | -179.3 | -150.3 | 1.8 | 24.8 | 0 | 0 | 0 | 117 | N484 S491 L496 F497 | N484-P486 HydrophobicContact CB-CG 4.1Å; N484-P486 WeakPolarHBondContact O-CD 3.22Å; N484-P486 VanDerWaalsContact O-CG 3.26Å; N484-P486 WeakPolarHBondContact O-CG 3.4Å; P486-S491 WeakPolarHBondContact O-CB 3.45Å; P486-S491 PolarHBondContact O-OG 3.09Å; P486-L496 VanDerWaalsContact CB-C 3.44Å; P486-L496 WeakPolarHBondContact CB-O 2.97Å; P486-F497 VanDerWaalsContact CB-O 3.26Å; P486-F497 WeakPolarHBondContact CB-O 2.88Å; P486-F497 WeakPolarHBondContact CD-O 3.5Å; P486-F497 WeakPolarHBondContact CG-O 3.15Å | ||
| 487 | P | 21 | Very low | 25.1 | Very low | 17 Ų | 17 | 111.3 Ų | 111.3 | 11% | 0.11 | 62% | 0.621 | C | S | . | * | trans | -50.4 | 164.7 | -159.6 | -39.6 | 39.8 | 0 | 0 | 0 | 125.4 | S491 P492 A495 L496 F497 | P487-S491 VanDerWaalsContact C-OG 3.22Å; P487-S491 VanDerWaalsContact CA-O 3.29Å; P487-S491 WeakPolarHBondContact CA-O 3.33Å; P487-S491 WeakPolarHBondContact CA-OG 3.44Å; P487-P492 VanDerWaalsContact CG-CD 3.42Å; P487-A495 WeakPolarHBondContact CD-O 3.27Å; P487-L496 VanDerWaalsContact CD-C 3.49Å; P487-L496 VanDerWaalsContact CD-N 3.31Å; P487-L496 VanDerWaalsContact CG-N 3.29Å; P487-F497 VanDerWaalsContact CD-N 3.32Å | ||
| 488 | N | 27 | Very low | 25.3 | Very low | 134 Ų | 134 | 113.1 Ų | 113.1 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 84.1 | 71.5 | 170.1 | -57 | -34.7 | 0 | 0 | 0 | 113.8 | S491 | N488-S491 PolarHBondContact N-OG 2.74Š|
| 489 | R | 32.3 | Very low | 25.5 | Very low | 217 Ų | 217 | 113.7 Ų | 113.7 | 82% | 0.819 | 61% | 0.613 | S | S | * | * | S | Bend | cis | -150.4 | 179.5 | -2.9 | -114.9 | -140.6 | -158.9 | -155.7 | 8.2 | 107 | ||
| 490 | S | 24.6 | Very low | 25.2 | Very low | 88 Ų | 88 | 114.1 Ų | 114.1 | 62% | 0.615 | 61% | 0.613 | S | S | * | * | S | Bend | cis | -93.1 | 24.3 | -18.3 | -65.4 | 0 | 0 | 0 | 0 | 111.3 | P492 | S490-P492 CarbonylContact O-C 3.08Å; S490-P492 WeakPolarHBondContact O-CA 3.13Å |
| 491 | S | 24.9 | Very low | 25.1 | Very low | 40 Ų | 40 | 110.8 Ų | 110.8 | 28% | 0.28 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -41.3 | 135.9 | 142.7 | 52.7 | 0 | 0 | 0 | 0 | 110.1 | P486 P487 N488 | P486-S491 WeakPolarHBondContact O-CB 3.45Å; P486-S491 PolarHBondContact O-OG 3.09Å; P487-S491 VanDerWaalsContact C-OG 3.22Å; P487-S491 VanDerWaalsContact CA-O 3.29Å; P487-S491 WeakPolarHBondContact CA-O 3.33Å; P487-S491 WeakPolarHBondContact CA-OG 3.44Å; N488-S491 PolarHBondContact N-OG 2.74Å |
| 492 | P | 27.1 | Very low | 25 | Very low | 64 Ų | 64 | 111.2 Ų | 111.2 | 42% | 0.416 | 62% | 0.618 | S | S | . | * | -82 | 174.6 | -78.3 | -31.6 | 40 | 0 | 0 | 0 | 113.3 | P487 S490 V494 | P487-P492 VanDerWaalsContact CG-CD 3.42Å; S490-P492 CarbonylContact O-C 3.08Å; S490-P492 WeakPolarHBondContact O-CA 3.13Å; P492-V494 PolarHBondContact O-N 2.81Å | |||
| 493 | T | 23.9 | Very low | 24.6 | Very low | 143 Ų | 143 | 112 Ų | 112 | 88% | 0.877 | 62% | 0.619 | S | S | * | * | S | Bend | -54.1 | 93.6 | 129.8 | -57.3 | 0 | 0 | 0 | 0 | 107.1 | |||
| 494 | V | 25.8 | Very low | 24.2 | Very low | 118 Ų | 118 | 113 Ų | 113 | 72% | 0.715 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 99.3 | 96.9 | -177.5 | -168.9 | 0 | 0 | 0 | 0 | 118.1 | P492 | P492-V494 PolarHBondContact O-N 2.81Š|
| 495 | A | 22.9 | Very low | 24.6 | Very low | 64 Ų | 64 | 111.2 Ų | 111.2 | 53% | 0.529 | 62% | 0.622 | S | S | . | * | trans | 74.7 | 123.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 125.5 | P487 | P487-A495 WeakPolarHBondContact CD-O 3.27Š| ||
| 496 | L | 25.2 | Very low | 24.7 | Very low | 131 Ų | 131 | 110.8 Ų | 110.8 | 69% | 0.686 | 62% | 0.617 | S | S | * | * | trans | 74.8 | 67.2 | 154.4 | -57.9 | 175.1 | 0 | 0 | 0 | 126.4 | P486 P487 | P486-L496 VanDerWaalsContact CB-C 3.44Å; P486-L496 WeakPolarHBondContact CB-O 2.97Å; P487-L496 VanDerWaalsContact CD-C 3.49Å; P487-L496 VanDerWaalsContact CD-N 3.31Å; P487-L496 VanDerWaalsContact CG-N 3.29Å | ||
| 497 | F | 29.5 | Very low | 24.6 | Very low | 124 Ų | 124 | 116 Ų | 116 | 54% | 0.544 | 64% | 0.643 | S | S | . | * | trans | 62.7 | 145.3 | 150.3 | -58.4 | -93.1 | 0 | 0 | 0 | 124.6 | P486 P487 | P486-F497 VanDerWaalsContact CB-O 3.26Å; P486-F497 WeakPolarHBondContact CB-O 2.88Å; P486-F497 WeakPolarHBondContact CD-O 3.5Å; P486-F497 WeakPolarHBondContact CG-O 3.15Å; P487-F497 VanDerWaalsContact CD-N 3.32Å | ||
| 498 | R | 27.4 | Very low | 24.8 | Very low | 193 Ų | 193 | 121.1 Ų | 121.1 | 73% | 0.728 | 67% | 0.669 | S | S | * | * | 115.7 | 128.2 | 117.6 | -111.6 | -167.5 | 175.2 | 135.9 | 2.2 | 122.3 | |||||
| 499 | D | 26.7 | Very low | 24.6 | Very low | 96 Ų | 96 | 123.9 Ų | 123.9 | 51% | 0.513 | 68% | 0.675 | S | S | . | * | 70.2 | 111.5 | 128.1 | -77.2 | -3.9 | 0 | 0 | 0 | 125.9 | |||||
| 500 | K | 22.4 | Very low | 24.7 | Very low | 164 Ų | 164 | 117.8 Ų | 117.8 | 71% | 0.713 | 66% | 0.663 | S | S | * | * | 62.2 | 80.5 | 118.3 | -58.6 | 176.7 | -179.8 | 79.2 | 0 | 120.7 | P502 | K500-P502 WeakPolarHBondContact O-CD 3.24Š| |||
| 501 | G | 20.7 | Very low | 24.7 | Very low | 84 Ų | 84 | 119.7 Ų | 119.7 | 87% | 0.866 | 67% | 0.666 | S | S | * | * | trans | 45.2 | -125.9 | 149.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 502 | P | 22.7 | Very low | 24.9 | Very low | 112 Ų | 112 | 121.7 Ų | 121.7 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | cis | -115.7 | -172.8 | -35.5 | 40.5 | -27.9 | 0 | 0 | 0 | 110.8 | K500 | K500-P502 WeakPolarHBondContact O-CD 3.24Š| ||
| 503 | K | 19.5 | Very low | 25.2 | Very low | 187 Ų | 187 | 125.5 Ų | 125.5 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | trans | -5.8 | 150.3 | 145.6 | -49.7 | 166.6 | -176.4 | 176.5 | 0 | 117.8 | ||||
| 504 | S | 20.9 | Very low | 25.9 | Very low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | trans | 77.1 | 169.6 | 146.3 | 89.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 505 | P | 29.6 | Very low | 26.6 | Very low | 100 Ų | 100 | 124.7 Ų | 124.7 | 65% | 0.649 | 67% | 0.674 | S | S | * | * | cis | -133.1 | -147.4 | -26.1 | 32.8 | -12 | 0 | 0 | 0 | 111.1 | ||||
| 506 | T | 21.1 | Very low | 27.1 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 66% | 0.663 | 69% | 0.685 | S | S | * | * | trans | 74.6 | 131.4 | 155.1 | 31 | 0 | 0 | 0 | 0 | 116 | ||||
| 507 | L | 21.9 | Very low | 27.2 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | 54.7 | 117.7 | 85.6 | -81.3 | 68.3 | 0 | 0 | 0 | 110.8 | |||||
| 508 | D | 24 | Very low | 27.2 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | cis | -132.5 | 172.3 | 6.6 | -80.2 | -57.3 | 0 | 0 | 0 | 110 | ||||
| 509 | K | 23 | Very low | 27.9 | Very low | 191 Ų | 191 | 126.3 Ų | 126.3 | 83% | 0.83 | 71% | 0.71 | S | S | * | * | cis | 63.6 | -167.2 | 41 | -59.4 | -173.2 | 176 | -179.8 | 0 | 112.3 | ||||
| 510 | P | 35.4 | Very low | 28.3 | Very low | 89 Ų | 89 | 128.5 Ų | 128.5 | 58% | 0.578 | 72% | 0.721 | S | S | * | * | -50.1 | 138.8 | -128.8 | -15.8 | 32.2 | 0 | 0 | 0 | 115.2 | |||||
| 511 | L | 23.5 | Very low | 28.4 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 68% | 0.675 | 72% | 0.716 | S | S | * | * | S | Bend | -75.1 | 152.6 | 89.8 | -164.9 | 77.5 | 0 | 0 | 0 | 115.5 | V514 | L511-V514 CarbonylContact C-O 3.48Å; L511-V514 VanDerWaalsContact C-O 3.26Å; L511-V514 CarbonylContact O-C 3.57Å; L511-V514 PolarHBondContact O-N 2.83Å; L511-V514 VanDerWaalsContact O-O 3.12Å | |
| 512 | D | 29.6 | Very low | 28.4 | Very low | 82 Ų | 82 | 131.5 Ų | 131.5 | 44% | 0.439 | 72% | 0.715 | S | S | . | * | T | Hydrogen-bonded Turn | cis | -71.2 | -59.7 | -28.9 | -37 | -80.7 | 0 | 0 | 0 | 108.6 | V514 K515 | D512-V514 PolarHBondContact N-O 3.17Å; D512-K515 WeakPolarHBondContact OD1-CE 3.22Å; D512-K515 IonicContact OD1-NZ 2.71Å; D512-K515 PolarHBondContact OD1-NZ 3.01Å; D512-K515 WeakPolarHBondContact OD2-CE 3.22Å; D512-K515 IonicContact OD2-NZ 3.21Å; D512-K515 PolarHBondContact OD2-NZ 2.81Å |
| 513 | D | 33.7 | Very low | 28.5 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | cis | 50.4 | 57.7 | -31.3 | -59.2 | -37.6 | 0 | 0 | 0 | 121.1 | ||
| 514 | V | 39 | Very low | 28.5 | Very low | 112 Ų | 112 | 131 Ų | 131 | 68% | 0.679 | 71% | 0.707 | S | S | * | * | S | Bend | trans | 105.2 | 158.7 | 168.2 | -174.3 | 0 | 0 | 0 | 0 | 117.6 | L511 D512 | L511-V514 CarbonylContact C-O 3.48Å; L511-V514 VanDerWaalsContact C-O 3.26Å; L511-V514 CarbonylContact O-C 3.57Å; L511-V514 PolarHBondContact O-N 2.83Å; L511-V514 VanDerWaalsContact O-O 3.12Å; D512-V514 PolarHBondContact N-O 3.17Å |
| 515 | K | 40.4 | Very low | 28.5 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 57% | 0.574 | 71% | 0.708 | S | S | * | * | trans | 85.7 | 172 | -179.9 | -48.6 | 171.9 | -89.4 | 57 | 0 | 115.6 | D512 | D512-K515 WeakPolarHBondContact OD1-CE 3.22Å; D512-K515 IonicContact OD1-NZ 2.71Å; D512-K515 PolarHBondContact OD1-NZ 3.01Å; D512-K515 WeakPolarHBondContact OD2-CE 3.22Å; D512-K515 IonicContact OD2-NZ 3.21Å; D512-K515 PolarHBondContact OD2-NZ 2.81Å | ||
| 516 | S | 34 | Very low | 28 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 71% | 0.713 | S | S | * | * | trans | -162.5 | 129.1 | 177.4 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 517 | S | 26.5 | Very low | 28.1 | Very low | 106 Ų | 106 | 137.8 Ų | 137.8 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | trans | -157.2 | -173.8 | 156.4 | -73.2 | 0 | 0 | 0 | 0 | 106 | ||||
| 518 | D | 29.8 | Very low | 28.3 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 85% | 0.85 | 70% | 0.702 | S | S | * | * | trans | 75.6 | 176.8 | 174.2 | -47.5 | -78.8 | 0 | 0 | 0 | 116.6 | ||||
| 519 | I | 42.4 | Very low | 28.3 | Very low | 171 Ų | 171 | 128.4 Ų | 128.4 | 88% | 0.877 | 68% | 0.677 | S | S | * | * | trans | -135.6 | 161.6 | -147.4 | -73.2 | 177.5 | 0 | 0 | 0 | 115.1 | ||||
| 520 | L | 33.7 | Very low | 28.7 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | trans | -63.5 | 139.6 | -179.3 | -65.9 | 167.6 | 0 | 0 | 0 | 115.3 | ||||
| 521 | E | 25 | Very low | 28.3 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 61% | 0.612 | 63% | 0.633 | S | S | * | * | 51.4 | 129.7 | 91.1 | -53.5 | -161.8 | 150.6 | 0 | 0 | 115.4 | K523 | E521-K523 IonicContact OE1-NZ 2.69Å; E521-K523 PolarHBondContact OE1-NZ 3.08Å; E521-K523 WeakPolarHBondContact OE2-CE 3.22Å; E521-K523 IonicContact OE2-NZ 2.69Å; E521-K523 PolarHBondContact OE2-NZ 2.79Å | |||
| 522 | E | 20.6 | Very low | 28.5 | Very low | 181 Ų | 181 | 114 Ų | 114 | 85% | 0.846 | 61% | 0.606 | S | S | * | * | cis | 65.1 | 77.5 | 27.3 | -156.6 | -170.6 | -124 | 0 | 0 | 116.1 | ||||
| 523 | K | 24.1 | Very low | 28.2 | Very low | 152 Ų | 152 | 110.1 Ų | 110.1 | 66% | 0.661 | 59% | 0.585 | S | S | * | * | trans | -163.6 | 146.8 | 158.3 | -118.2 | 148.6 | -109.4 | 174.2 | 0 | 116.7 | E521 | E521-K523 IonicContact OE1-NZ 2.69Å; E521-K523 PolarHBondContact OE1-NZ 3.08Å; E521-K523 WeakPolarHBondContact OE2-CE 3.22Å; E521-K523 IonicContact OE2-NZ 2.69Å; E521-K523 PolarHBondContact OE2-NZ 2.79Å | ||
| 524 | N | 19.4 | Very low | 27.7 | Very low | 135 Ų | 135 | 104.3 Ų | 104.3 | 72% | 0.722 | 56% | 0.555 | S | S | * | * | trans | -13.5 | 147.1 | 170.7 | -71.5 | -75 | 0 | 0 | 0 | 121.6 | ||||
| 525 | P | 21.7 | Very low | 27 | Very low | 120 Ų | 120 | 102.8 Ų | 102.8 | 78% | 0.779 | 54% | 0.539 | S | S | * | . | trans | -75.4 | 134.9 | 149.2 | 33.9 | -31.1 | 0 | 0 | 0 | 110.6 | ||||
| 526 | T | 19.7 | Very low | 26.3 | Very low | 126 Ų | 126 | 97.1 Ų | 97.1 | 77% | 0.773 | 52% | 0.516 | S | S | * | . | trans | -162.1 | 139.2 | 148.6 | -15.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 527 | R | 23.1 | Very low | 26.6 | Very low | 217 Ų | 217 | 93.5 Ų | 93.5 | 82% | 0.819 | 49% | 0.488 | S | S | * | . | trans | 72.1 | 124.1 | 146.5 | -151.2 | 176.8 | -170.3 | -176 | 1.1 | 116.7 | ||||
| 528 | S | 25.3 | Very low | 26.6 | Very low | 51 Ų | 51 | 90.3 Ų | 90.3 | 36% | 0.357 | 46% | 0.46 | S | S | . | . | cis | -156.9 | -174.6 | -6.7 | 43.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 529 | S | 24.2 | Very low | 27.1 | Very low | 18 Ų | 18 | 87.6 Ų | 87.6 | 13% | 0.126 | 44% | 0.44 | C | S | . | . | trans | 70.8 | 103.4 | 176.8 | 1.1 | 0 | 0 | 0 | 0 | 109.6 | I336 E338 K339 | I336-S529 VanDerWaalsContact C-C 3.44Å; I336-S529 CarbonylContact C-O 3.54Å; I336-S529 WeakPolarHBondContact CA-O 3.31Å; I336-S529 CarbonylContact O-C 3.55Å; I336-S529 WeakPolarHBondContact O-CB 3.38Å; E338-S529 WeakPolarHBondContact OE1-CA 3.05Å; E338-S529 PolarHBondContact OE1-N 3.33Å; K339-S529 WeakPolarHBondContact CG-OG 3.19Å; K339-S529 PolarHBondContact N-OG 3.37Å | ||
| 530 | S | 32.4 | Very low | 27.3 | Very low | 32 Ų | 32 | 82.4 Ų | 82.4 | 22% | 0.224 | 42% | 0.419 | C | S | . | . | cis | 58.7 | 131 | 38.5 | 155.3 | 0 | 0 | 0 | 0 | 111.6 | H334 K335 I336 D337 E338 | H334-S530 PolarHBondContact O-OG 3.12Å; K335-S530 WeakPolarHBondContact O-CA 3.15Å; K335-S530 PolarHBondContact O-N 2.79Å; I336-S530 CarbonylContact C-O 2.97Å; I336-S530 WeakPolarHBondContact CA-O 3.25Å; I336-S530 PolarHBondContact N-O 3.44Å; D337-S530 CarbonylContact C-O 3.11Å; D337-S530 WeakPolarHBondContact CA-O 3.22Å; D337-S530 PolarHBondContact N-O 2.84Å; E338-S530 WeakPolarHBondContact CB-O 3.01Å; E338-S530 VanDerWaalsContact CD-CB 3.46Å; E338-S530 PolarHBondContact N-O 3.21Å; E338-S530 WeakPolarHBondContact OE2-CB 3.47Å; E338-S530 PolarHBondContact OE2-OG 2.67Å | ||
| 531 | Q | 26.5 | Very low | 27.7 | Very low | 55 Ų | 55 | 77.7 Ų | 77.7 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | trans | 140.5 | 0 | -153.9 | -42.7 | -168.6 | -126.9 | 0 | 0 | 120.3 | L331 A332 F333 H334 K335 I336 D337 E338 | L331-Q531 CarbonylContact C-O 3.47Å; A332-Q531 VanDerWaalsContact C-CA 3.43Å; A332-Q531 CarbonylContact C-O 3.44Å; A332-Q531 VanDerWaalsContact CA-C 3.41Å; A332-Q531 WeakPolarHBondContact CA-O 3Å; A332-Q531 PolarHBondContact N-O 2.98Å; A332-Q531 CarbonylContact O-C 3.59Å; A332-Q531 WeakPolarHBondContact O-CA 3.32Å; A332-Q531 WeakPolarHBondContact O-CB 3.42Å; F333-Q531 PolarHBondContact N-O 3.04Å; F333-Q531 VanDerWaalsContact N-O 3.07Å; F333-Q531 VanDerWaalsContact O-CB 3.31Å; F333-Q531 WeakPolarHBondContact O-CB 3.32Å; F333-Q531 WeakPolarHBondContact O-CG 3.41Å; F333-Q531 PolarHBondContact O-NE2 3.03Å; H334-Q531 CarbonylContact C-O 3.14Å; H334-Q531 PolarHBondContact O-N 2.74Å; K335-Q531 CarbonylContact C-O 3.6Å; K335-Q531 VanDerWaalsContact CA-C 3.47Å; K335-Q531 WeakPolarHBondContact CA-O 3.25Å; K335-Q531 PolarHBondContact N-O 2.76Å; I336-Q531 PolarHBondContact N-O 2.98Å; D337-Q531 VanDerWaalsContact N-CB 3.34Å; E338-Q531 HydrophobicContact CB-CG 3.96Å | ||
| 532 | P | 27.8 | Very low | 28.4 | Very low | 18 Ų | 18 | 79.7 Ų | 79.7 | 12% | 0.117 | 40% | 0.399 | C | S | . | . | 0 | 0 | 0 | 42.8 | -6.9 | 0 | 0 | 0 | 122.2 | Q329 E330 L331 A332 F333 H334 K335 | Q329-P532 CarbonylContact C-O 3.37Å; Q329-P532 WeakPolarHBondContact CA-O 3.39Å; Q329-P532 PolarHBondContact N-O 2.92Å; E330-P532 VanDerWaalsContact C-CA 3.44Å; E330-P532 WeakPolarHBondContact CA-O 3.46Å; E330-P532 HydrophobicContact CB-CB 3.97Å; E330-P532 HydrophobicContact CB-CG 4.02Å; E330-P532 HydrophobicContact CG-CB 3.88Å; E330-P532 HydrophobicContact CG-CG 3.81Å; E330-P532 PolarHBondContact N-O 2.57Å; E330-P532 WeakPolarHBondContact OE2-CB 3.32Å; L331-P532 HydrophobicContact CB-CB 4.27Å; A332-P532 VanDerWaalsContact C-N 3.28Å; A332-P532 CarbonylContact C-O 3.47Å; A332-P532 WeakPolarHBondContact CA-O 3.43Å; A332-P532 PolarHBondContact N-O 2.62Å; F333-P532 WeakPolarHBondContact CA-O 3.27Å; F333-P532 VanDerWaalsContact CB-O 3.24Å; F333-P532 WeakPolarHBondContact CB-O 3.43Å; F333-P532 PolarHBondContact N-O 2.61Å; H334-P532 VanDerWaalsContact C-N 3.32Å; H334-P532 HydrophobicContact CB-CG 3.4Å; K335-P532 HydrophobicContact CB-CB 4.21Å | |||
| 533 | E | 23.7 | Very low | 29.4 | Very low | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | 0 | 116.4 | 0 | 115.1 | 62.7 | -137 | 0 | 0 | 134 | E326 L327 E328 Q329 E330 E622 L623 N624 | E326-E533 WeakPolarHBondContact CA-OE2 3.42Å; L327-E533 VanDerWaalsContact C-C 3.47Å; L327-E533 HydrophobicContact CD2-CB 4.48Å; E328-E533 CarbonylContact C-O 3.38Å; E328-E533 WeakPolarHBondContact CA-O 3.25Å; E328-E533 CarbonylContact O-C 3.33Å; Q329-E533 WeakPolarHBondContact CA-O 3.49Å; Q329-E533 HydrophobicContact CB-CB 4.03Å; Q329-E533 HydrophobicContact CB-CG 3.57Å; Q329-E533 WeakPolarHBondContact CB-O 3.35Å; Q329-E533 VanDerWaalsContact CB-OE1 3.28Å; Q329-E533 WeakPolarHBondContact CB-OE1 3.42Å; Q329-E533 WeakPolarHBondContact CG-O 3.04Å; Q329-E533 PolarHBondContact N-O 2.85Å; Q329-E533 PolarHBondContact NE2-OE1 2.78Å; E330-E533 HydrophobicContact CB-CB 3.97Å; E330-E533 WeakPolarHBondContact O-CA 3.31Å; E330-E533 WeakPolarHBondContact O-CB 3.29Å; E330-E533 PolarHBondContact O-N 3.47Å; E533-E622 HydrophobicContact CB-CB 3.99Å; E533-E622 HydrophobicContact CB-CG 4.28Å; E533-E622 WeakPolarHBondContact CB-OE2 3.43Å; E533-E622 HydrophobicContact CG-CB 3.89Å; E533-E622 HydrophobicContact CG-CG 3.84Å; E533-E622 WeakPolarHBondContact CG-O 3.45Å; E533-E622 VanDerWaalsContact CG-OE2 3.24Å; E533-E622 WeakPolarHBondContact CG-OE2 3.14Å; E533-L623 VanDerWaalsContact CG-O 3.25Å; E533-L623 WeakPolarHBondContact CG-O 3.28Å; E533-L623 VanDerWaalsContact OE1-C 3.24Å; E533-N624 VanDerWaalsContact OE1-CB 3.25Å; E533-N624 WeakPolarHBondContact OE1-CB 3.29Å; E533-N624 PolarHBondContact OE1-N 2.68Å; E533-N624 VanDerWaalsContact OE1-N 3.15Å | |||
| 534 | N | 22.3 | Very low | 30.5 | Very low | 23 Ų | 23 | 72 Ų | 72 | 12% | 0.123 | 38% | 0.375 | C | S | . | . | trans | 139.3 | 0 | -155.9 | -88.8 | -35.2 | 0 | 0 | 0 | 119.3 | K323 H324 F325 E326 L327 E328 | K323-N534 CarbonylContact C-O 3.33Å; H324-N534 CarbonylContact C-O 3.59Å; H324-N534 WeakPolarHBondContact CA-O 3.29Å; H324-N534 PolarHBondContact N-O 3.29Å; F325-N534 WeakPolarHBondContact CA-O 2.97Å; F325-N534 WeakPolarHBondContact CA-OD1 3.12Å; F325-N534 HydrophobicContact CB-CB 4.13Å; F325-N534 WeakPolarHBondContact CD1-OD1 3.41Å; F325-N534 HydrophobicContact CD2-CB 4.37Å; F325-N534 WeakPolarHBondContact CD2-OD1 3.32Å; F325-N534 WeakPolarHBondContact CE1-OD1 3.43Å; F325-N534 WeakPolarHBondContact CE2-OD1 3.19Å; F325-N534 HydrophobicContact CG-CB 4.23Å; F325-N534 WeakPolarHBondContact CG-OD1 2.9Å; F325-N534 PolarHBondContact N-O 2.71Å; E326-N534 VanDerWaalsContact CA-N 3.3Å; L327-N534 CarbonylContact C-O 3.56Å; L327-N534 VanDerWaalsContact CA-O 3.3Å; L327-N534 WeakPolarHBondContact CA-O 3.3Å; L327-N534 PolarHBondContact N-O 2.74Å; E328-N534 HydrophobicContact CB-CB 3.94Å; E328-N534 VanDerWaalsContact N-CB 3.32Å; E328-N534 PolarHBondContact N-O 2.63Å; E328-N534 PolarHBondContact O-ND2 3.06Å | ||
| 535 | K | 25.4 | Very low | 32 | Very low | 79 Ų | 79 | 69.1 Ų | 69.1 | 34% | 0.343 | 36% | 0.36 | S | S | . | . | 0 | 0 | 0 | -22.1 | -169 | -101.8 | 65.4 | 0 | 139.8 | C321 L322 K323 H324 F325 | C321-K535 VanDerWaalsContact C-C 3.45Å; C321-K535 VanDerWaalsContact CA-C 3.42Å; C321-K535 HydrophobicContact CB-CB 3.88Å; C321-K535 HydrophobicContact CB-CD 3.86Å; C321-K535 HydrophobicContact CB-CG 4.31Å; C321-K535 WeakPolarHBondContact O-CB 3.2Å; C321-K535 WeakPolarHBondContact O-CD 3.27Å; C321-K535 WeakPolarHBondContact O-CG 3.34Å; C321-K535 WeakPolarHBondContact SG-CB 2.95Å; C321-K535 PolarHBondContact SG-O 2.79Å; L322-K535 HydrophobicContact CG-CG 4.35Å; L322-K535 VanDerWaalsContact N-C 3.33Å; K323-K535 CarbonylContact C-O 3.42Å; K323-K535 CarbonylContact O-C 3.56Å; K323-K535 VanDerWaalsContact O-O 3.09Å; H324-K535 HydrophobicContact CB-CB 4.44Å; H324-K535 VanDerWaalsContact N-C 3.34Å; H324-K535 WeakPolarHBondContact O-CB 2.96Å; F325-K535 HydrophobicContact CB-CB 4.21Å; F325-K535 HydrophobicContact CB-CD 4.21Å; F325-K535 HydrophobicContact CB-CG 3.3Å; F325-K535 WeakPolarHBondContact O-CG 3.19Å | |||
| 536 | S | 25.7 | Very low | 33.7 | Very low | 14 Ų | 14 | 64.4 Ų | 64.4 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | 0 | 84.2 | 0 | -90.3 | 0 | 0 | 0 | 0 | 127.8 | A320 C321 L322 K323 R2603 | A320-S536 CarbonylContact O-C 3.47Å; A320-S536 WeakPolarHBondContact O-CA 3.48Å; A320-S536 PolarHBondContact O-N 2.73Å; C321-S536 VanDerWaalsContact CA-N 3.32Å; C321-S536 PolarHBondContact SG-OG 2.99Å; L322-S536 VanDerWaalsContact N-N 3.2Å; K323-S536 WeakPolarHBondContact O-CB 3.26Å; K323-S536 PolarHBondContact O-N 3.12Å; S536-R2603 WeakPolarHBondContact OG-CD 3.43Å | |||
| 537 | L | 38.7 | Very low | 35.2 | Very low | 33 Ų | 33 | 64.5 Ų | 64.5 | 17% | 0.173 | 32% | 0.32 | C | S | . | . | trans | -168.2 | 142 | 160.1 | -68.6 | 100 | 0 | 0 | 0 | 119.1 | A320 K323 E617 S619 | A320-L537 VanDerWaalsContact CA-O 3.27Å; A320-L537 WeakPolarHBondContact CA-O 3.06Å; A320-L537 WeakPolarHBondContact CB-O 3.33Å; A320-L537 PolarHBondContact O-N 3.36Å; K323-L537 HydrophobicContact CB-CD1 3.81Å; K323-L537 HydrophobicContact CD-CB 3.79Å; K323-L537 HydrophobicContact CD-CD1 3.59Å; K323-L537 HydrophobicContact CD-CG 4.26Å; K323-L537 HydrophobicContact CG-CD1 3.67Å; K323-L537 PolarHBondContact NZ-O 2.59Å; L537-E617 VanDerWaalsContact C-OE2 3.25Å; L537-E617 WeakPolarHBondContact CA-OE2 3.37Å; L537-E617 HydrophobicContact CB-CB 3.76Å; L537-E617 HydrophobicContact CB-CG 4.02Å; L537-E617 HydrophobicContact CD2-CB 3.84Å; L537-E617 HydrophobicContact CD2-CG 4Å; L537-E617 VanDerWaalsContact CD2-OE1 3.26Å; L537-E617 WeakPolarHBondContact CD2-OE1 3.45Å; L537-E617 HydrophobicContact CG-CB 4.39Å; L537-E617 HydrophobicContact CG-CG 4.42Å; L537-E617 WeakPolarHBondContact CG-OE1 3.42Å; L537-S619 WeakPolarHBondContact CB-O 3.35Å | ||
| 538 | Y | 28.2 | Very low | 36.9 | Very low | 38 Ų | 38 | 60.8 Ų | 60.8 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | trans | -169.4 | 116.8 | 152.9 | -104.5 | -70.1 | 0 | 0 | 0 | 111.7 | R319 L613 F616 E617 Q620 | R319-Y538 HydrophobicContact CB-CD2 3.85Å; R319-Y538 HydrophobicContact CB-CG 4.28Å; R319-Y538 HydrophobicContact CG-CD2 3.96Å; R319-Y538 HydrophobicContact CG-CE2 4.27Å; Y538-L613 HydrophobicContact CD1-CD2 4.34Å; Y538-L613 HydrophobicContact CE1-CB 4.05Å; Y538-L613 HydrophobicContact CE1-CD1 4.08Å; Y538-L613 HydrophobicContact CE1-CD2 3.9Å; Y538-L613 HydrophobicContact CE1-CG 4.24Å; Y538-F616 HydrophobicContact CD1-CB 3.49Å; Y538-F616 VanDerWaalsContact CD1-CB 3.49Å; Y538-F616 WeakPolarHBondContact CD1-O 3.32Å; Y538-F616 HydrophobicContact CE1-CB 4.06Å; Y538-F616 WeakPolarHBondContact CE1-O 3.39Å; Y538-E617 VanDerWaalsContact C-CG 3.46Å; Y538-E617 VanDerWaalsContact CA-CB 3.43Å; Y538-E617 VanDerWaalsContact N-CD 3.3Å; Y538-E617 PolarHBondContact N-OE2 3.06Å; Y538-Q620 HydrophobicContact CE2-CB 4.26Å | ||
| 539 | K | 39.6 | Very low | 38.9 | Very low | 102 Ų | 102 | 59.4 Ų | 59.4 | 44% | 0.443 | 30% | 0.301 | S | S | . | . | trans | -106.8 | -155.1 | -160.4 | -135.1 | 175.3 | -74.1 | -176.1 | 0 | 116 | F616 E617 S618 | K539-F616 WeakPolarHBondContact O-CA 3.34Å; K539-F616 WeakPolarHBondContact O-CB 3.28Å; K539-F616 WeakPolarHBondContact O-CD1 3.15Å; K539-F616 WeakPolarHBondContact O-CG 3.4Å; K539-E617 VanDerWaalsContact CB-CA 3.5Å; K539-E617 HydrophobicContact CB-CB 3.73Å; K539-E617 HydrophobicContact CB-CG 3.21Å; K539-E617 HydrophobicContact CD-CG 4.13Å; K539-E617 VanDerWaalsContact CE-CG 3.44Å; K539-E617 HydrophobicContact CG-CG 3.65Å; K539-E617 VanDerWaalsContact N-CB 3.29Å; K539-S618 WeakPolarHBondContact CE-OG 3.14Å; K539-S618 PolarHBondContact NZ-OG 2.94Å | ||
| 540 | S | 46 | Very low | 40.7 | Very low | 62 Ų | 62 | 64.9 Ų | 64.9 | 43% | 0.434 | 32% | 0.324 | S | S | . | . | trans | -146.1 | 131.1 | 134.1 | -112 | 0 | 0 | 0 | 0 | 116.2 | K615 F616 | S540-K615 CarbonylContact C-O 3.51Å; S540-K615 WeakPolarHBondContact CA-O 3.3Å; S540-K615 WeakPolarHBondContact OG-CB 3.27Å; S540-F616 WeakPolarHBondContact OG-CE1 3.42Å; S540-F616 WeakPolarHBondContact OG-CE2 3.43Å; S540-F616 WeakPolarHBondContact OG-CZ 3.1Å | ||
| 541 | F | 42.7 | Very low | 42.6 | Very low | 44 Ų | 44 | 70 Ų | 70 | 19% | 0.193 | 35% | 0.346 | C | S | . | . | trans | -83.7 | 170.8 | -177.2 | -67.6 | -162.8 | 0 | 0 | 0 | 114.3 | D545 L614 K615 S618 | F541-D545 HydrophobicContact CD1-CB 4.02Å; F541-D545 HydrophobicContact CE1-CB 4.31Å; F541-L614 HydrophobicContact CD1-CB 4.03Å; F541-L614 WeakPolarHBondContact CD1-O 3.44Å; F541-L614 HydrophobicContact CE1-CB 3.66Å; F541-L614 HydrophobicContact CE1-CD1 4.02Å; F541-L614 HydrophobicContact CE1-CG 4.29Å; F541-L614 HydrophobicContact CE2-CB 4.24Å; F541-L614 HydrophobicContact CE2-CD2 3.96Å; F541-L614 HydrophobicContact CZ-CB 3.75Å; F541-L614 HydrophobicContact CZ-CD1 3.81Å; F541-L614 HydrophobicContact CZ-CD2 3.75Å; F541-L614 HydrophobicContact CZ-CG 3.99Å; F541-K615 HydrophobicContact CB-CB 4.25Å; F541-K615 HydrophobicContact CB-CG 4.17Å; F541-K615 WeakPolarHBondContact CD2-O 3.44Å; F541-K615 VanDerWaalsContact N-C 3.34Å; F541-K615 VanDerWaalsContact N-CA 3.31Å; F541-K615 PolarHBondContact N-O 2.73Å; F541-K615 WeakPolarHBondContact O-CD 3.41Å; F541-S618 VanDerWaalsContact CE2-OG 3.22Å; F541-S618 WeakPolarHBondContact CE2-OG 3.3Å | ||
| 542 | K | 39.4 | Very low | 44.5 | Very low | 172 Ų | 172 | 73.6 Ų | 73.6 | 75% | 0.748 | 36% | 0.361 | S | S | * | . | trans | -91.9 | 175.6 | 162.9 | -61.9 | -167.4 | 175.9 | -165.9 | 0 | 112.8 | ||||
| 543 | Q | 41.9 | Very low | 46.6 | Very low | 90 Ų | 90 | 74 Ų | 74 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -78.7 | -26.7 | -162.3 | -162.2 | 66.9 | 12.2 | 0 | 0 | 116.2 | D545 V546 E547 | Q543-D545 VanDerWaalsContact C-N 3.32Å; Q543-D545 PolarHBondContact O-N 3.32Å; Q543-V546 VanDerWaalsContact O-CB 3.25Å; Q543-V546 WeakPolarHBondContact O-CB 3.36Å; Q543-V546 PolarHBondContact O-N 2.94Å; Q543-V546 VanDerWaalsContact O-N 3.08Å; Q543-E547 PolarHBondContact O-N 2.72Å |
| 544 | S | 46.8 | Very low | 48.7 | Very low | 81 Ų | 81 | 77.5 Ų | 77.5 | 57% | 0.566 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.3 | -35.1 | -172.7 | 51.3 | 0 | 0 | 0 | 0 | 114.2 | V546 E547 | S544-V546 VanDerWaalsContact C-N 3.29Å; S544-V546 PolarHBondContact O-N 3.38Å; S544-E547 PolarHBondContact O-N 2.87Å |
| 545 | D | 50.6 | Low | 50.9 | Low | 76 Ų | 76 | 81.8 Ų | 81.8 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.5 | -29 | 179.2 | -55.7 | -29.8 | 0 | 0 | 0 | 111 | F541 Q543 E547 Q548 I549 | F541-D545 HydrophobicContact CD1-CB 4.02Å; F541-D545 HydrophobicContact CE1-CB 4.31Å; Q543-D545 VanDerWaalsContact C-N 3.32Å; Q543-D545 PolarHBondContact O-N 3.32Å; D545-E547 VanDerWaalsContact C-N 3.34Å; D545-E547 PolarHBondContact O-N 3.16Å; D545-Q548 PolarHBondContact O-N 2.73Å; D545-I549 WeakPolarHBondContact O-CD1 3.35Å; D545-I549 VanDerWaalsContact O-CG1 3.27Å; D545-I549 WeakPolarHBondContact O-CG1 3.22Å; D545-I549 PolarHBondContact O-N 2.63Å |
| 546 | V | 57.8 | Low | 53.2 | Low | 20 Ų | 20 | 79.1 Ų | 79.1 | 12% | 0.121 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 176.9 | -171.1 | 0 | 0 | 0 | 0 | 110.4 | Q543 S544 Q548 I549 Q550 | Q543-V546 VanDerWaalsContact O-CB 3.25Å; Q543-V546 WeakPolarHBondContact O-CB 3.36Å; Q543-V546 PolarHBondContact O-N 2.94Å; Q543-V546 VanDerWaalsContact O-N 3.08Å; S544-V546 VanDerWaalsContact C-N 3.29Å; S544-V546 PolarHBondContact O-N 3.38Å; V546-Q548 VanDerWaalsContact C-N 3.32Å; V546-Q548 PolarHBondContact O-N 3.21Å; V546-I549 PolarHBondContact O-N 2.67Å; V546-Q550 VanDerWaalsContact O-CB 3.25Å; V546-Q550 WeakPolarHBondContact O-CB 3.22Å; V546-Q550 PolarHBondContact O-N 3.18Å |
| 547 | E | 52.2 | Low | 55.4 | Low | 128 Ų | 128 | 84.1 Ų | 84.1 | 60% | 0.598 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.1 | -38.1 | 177.1 | -62.6 | 179.6 | 172.7 | 0 | 0 | 111.9 | Q543 S544 D545 Q550 M551 | Q543-E547 PolarHBondContact O-N 2.72Å; S544-E547 PolarHBondContact O-N 2.87Å; D545-E547 VanDerWaalsContact C-N 3.34Å; D545-E547 PolarHBondContact O-N 3.16Å; E547-Q550 PolarHBondContact O-N 2.68Å; E547-M551 PolarHBondContact O-N 2.75Å; E547-M551 VanDerWaalsContact O-N 3.13Å |
| 548 | Q | 58.6 | Low | 56.8 | Low | 139 Ų | 139 | 86.4 Ų | 86.4 | 65% | 0.65 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -74.6 | -36.1 | 178.8 | -159.5 | 176.7 | 104.3 | 0 | 0 | 112.5 | D545 V546 Q550 M551 K552 | D545-Q548 PolarHBondContact O-N 2.73Å; V546-Q548 VanDerWaalsContact C-N 3.32Å; V546-Q548 PolarHBondContact O-N 3.21Å; Q548-Q550 VanDerWaalsContact C-N 3.34Å; Q548-M551 PolarHBondContact O-N 3.17Å; Q548-K552 PolarHBondContact O-N 2.86Å |
| 549 | I | 66.5 | Low | 59 | Low | 23 Ų | 23 | 88.6 Ų | 88.6 | 12% | 0.118 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 169.7 | -69.2 | 160.2 | 0 | 0 | 0 | 110.3 | D545 V546 M551 K552 L553 M607 M610 A611 L614 | D545-I549 WeakPolarHBondContact O-CD1 3.35Å; D545-I549 VanDerWaalsContact O-CG1 3.27Å; D545-I549 WeakPolarHBondContact O-CG1 3.22Å; D545-I549 PolarHBondContact O-N 2.63Å; V546-I549 PolarHBondContact O-N 2.67Å; I549-M551 VanDerWaalsContact C-N 3.29Å; I549-M551 PolarHBondContact O-N 2.96Å; I549-K552 PolarHBondContact O-N 3.47Å; I549-L553 HydrophobicContact CG2-CD1 4.2Å; I549-L553 PolarHBondContact O-N 3.17Å; I549-M607 HydrophobicContact CG2-CB 4.25Å; I549-M607 WeakPolarHBondContact CG2-O 3.32Å; I549-M610 HydrophobicContact CD1-CB 4.01Å; I549-M610 HydrophobicContact CG2-CB 4.33Å; I549-A611 HydrophobicContact CG2-CB 4.45Å; I549-L614 HydrophobicContact CD1-CB 4.45Å |
| 550 | Q | 61.5 | Low | 60.7 | Low | 132 Ų | 132 | 84.4 Ų | 84.4 | 62% | 0.617 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.6 | -33.1 | 179.9 | -164.9 | 168.1 | 17 | 0 | 0 | 112.5 | V546 E547 Q548 | V546-Q550 VanDerWaalsContact O-CB 3.25Å; V546-Q550 WeakPolarHBondContact O-CB 3.22Å; V546-Q550 PolarHBondContact O-N 3.18Å; E547-Q550 PolarHBondContact O-N 2.68Å; Q548-Q550 VanDerWaalsContact C-N 3.34Å |
| 551 | M | 72.5 | Confident | 61.9 | Low | 141 Ų | 141 | 87.6 Ų | 87.6 | 70% | 0.695 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.9 | -40.6 | 173.4 | -137.6 | -159.6 | -53.1 | 0 | 0 | 112.7 | E547 Q548 I549 S554 | E547-M551 PolarHBondContact O-N 2.75Å; E547-M551 VanDerWaalsContact O-N 3.13Å; Q548-M551 PolarHBondContact O-N 3.17Å; I549-M551 VanDerWaalsContact C-N 3.29Å; I549-M551 PolarHBondContact O-N 2.96Å; M551-S554 PolarHBondContact O-N 3.25Å |
| 552 | K | 67.5 | Low | 63.2 | Low | 129 Ų | 129 | 91.8 Ų | 91.8 | 56% | 0.561 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.5 | -34.3 | 176.2 | -74.1 | -170.3 | 172.5 | -172.9 | 0 | 112.9 | Q548 I549 S554 N555 L556 M607 | Q548-K552 PolarHBondContact O-N 2.86Å; I549-K552 PolarHBondContact O-N 3.47Å; K552-S554 PolarHBondContact O-N 2.98Å; K552-N555 PolarHBondContact O-N 2.74Å; K552-L556 PolarHBondContact O-N 2.74Å; K552-M607 HydrophobicContact CB-CE 4.25Å; K552-M607 HydrophobicContact CB-SD 3.35Å; K552-M607 WeakPolarHBondContact CB-SD 3.47Å; K552-M607 HydrophobicContact CD-SD 4.15Å; K552-M607 HydrophobicContact CG-SD 4.42Å |
| 553 | L | 71.6 | Confident | 64.8 | Low | 26 Ų | 26 | 84 Ų | 84 | 14% | 0.136 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -52.2 | -40 | 175.3 | -89.4 | 162.5 | 0 | 0 | 0 | 112.7 | I549 N555 Q557 L604 M607 W608 A611 | I549-L553 HydrophobicContact CG2-CD1 4.2Å; I549-L553 PolarHBondContact O-N 3.17Å; L553-N555 VanDerWaalsContact C-N 3.29Å; L553-N555 PolarHBondContact O-N 2.74Å; L553-Q557 PolarHBondContact O-N 2.93Å; L553-L604 HydrophobicContact CD2-CD1 3.93Å; L553-L604 HydrophobicContact CD2-CG 4.41Å; L553-M607 HydrophobicContact CB-CE 4.4Å; L553-M607 HydrophobicContact CD2-CB 3.89Å; L553-M607 HydrophobicContact CD2-CE 4.01Å; L553-M607 HydrophobicContact CG-CB 3.9Å; L553-M607 HydrophobicContact CG-CE 4.02Å; L553-W608 HydrophobicContact CD2-CB 4.21Å; L553-A611 HydrophobicContact CD1-CB 4.43Å |
| 554 | S | 66.8 | Low | 66.4 | Low | 75 Ų | 75 | 85.7 Ų | 85.7 | 52% | 0.524 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.8 | -27.4 | 178.2 | -167.1 | 0 | 0 | 0 | 0 | 114.1 | M551 K552 S558 | M551-S554 PolarHBondContact O-N 3.25Å; K552-S554 PolarHBondContact O-N 2.98Å; S554-S558 PolarHBondContact O-OG 3.25Å |
| 555 | N | 68.9 | Low | 67.3 | Low | 114 Ų | 114 | 86.5 Ų | 86.5 | 61% | 0.61 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -83.2 | -49.8 | -175.2 | -69.1 | -13.2 | 0 | 0 | 0 | 111.5 | K552 L553 Q557 S558 | K552-N555 PolarHBondContact O-N 2.74Å; L553-N555 VanDerWaalsContact C-N 3.29Å; L553-N555 PolarHBondContact O-N 2.74Å; N555-Q557 PolarHBondContact O-N 2.8Å; N555-S558 VanDerWaalsContact O-CB 3.32Å; N555-S558 WeakPolarHBondContact O-CB 3.37Å; N555-S558 PolarHBondContact O-N 3.33Å |
| 556 | L | 72.8 | Confident | 68 | Low | 23 Ų | 23 | 86.5 Ų | 86.5 | 12% | 0.12 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.5 | -23.9 | -177 | -79.8 | 156.4 | 0 | 0 | 0 | 113 | K552 S558 L560 L600 E603 L604 M607 | K552-L556 PolarHBondContact O-N 2.74Å; L556-S558 PolarHBondContact O-N 3.48Å; L556-L560 WeakPolarHBondContact O-CB 3.13Å; L556-L560 PolarHBondContact O-N 3.45Å; L556-L600 HydrophobicContact CD2-CD2 3.45Å; L556-L600 VanDerWaalsContact CD2-CD2 3.45Å; L556-E603 HydrophobicContact CD1-CB 3.92Å; L556-E603 HydrophobicContact CD2-CB 4.15Å; L556-L604 HydrophobicContact CB-CD1 4.39Å; L556-M607 HydrophobicContact CB-CE 3.89Å; L556-M607 HydrophobicContact CD1-CE 3.23Å; L556-M607 HydrophobicContact CD1-SD 3.76Å; L556-M607 HydrophobicContact CG-CE 4.13Å |
| 557 | Q | 73 | Confident | 68.1 | Low | 119 Ų | 119 | 87.4 Ų | 87.4 | 56% | 0.556 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.6 | -23.3 | 171.7 | -142.3 | 168 | 28.5 | 0 | 0 | 113 | L553 N555 L604 | L553-Q557 PolarHBondContact O-N 2.93Å; N555-Q557 PolarHBondContact O-N 2.8Å; Q557-L604 HydrophobicContact CB-CD1 3.9Å; Q557-L604 HydrophobicContact CG-CD1 4.03Å; Q557-L604 HydrophobicContact CG-CD2 4.13Å |
| 558 | S | 68.5 | Low | 68.3 | Low | 80 Ų | 80 | 85.3 Ų | 85.3 | 56% | 0.559 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -83.1 | -39.8 | 179.5 | -57.2 | 0 | 0 | 0 | 0 | 112.7 | S554 N555 L556 L561 | S554-S558 PolarHBondContact O-OG 3.25Å; N555-S558 VanDerWaalsContact O-CB 3.32Å; N555-S558 WeakPolarHBondContact O-CB 3.37Å; N555-S558 PolarHBondContact O-N 3.33Å; L556-S558 PolarHBondContact O-N 3.48Å; S558-L561 WeakPolarHBondContact O-CB 3.49Å |
| 559 | E | 74.7 | Confident | 67.9 | Low | 85 Ų | 85 | 83.2 Ų | 83.2 | 40% | 0.397 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72.1 | -37.9 | -177.5 | -165.7 | -172.8 | 160.2 | 0 | 0 | 112.1 | L561 Q562 L563 L600 | E559-L561 PolarHBondContact O-N 2.63Å; E559-Q562 WeakPolarHBondContact O-CB 3.45Å; E559-Q562 PolarHBondContact O-N 3.38Å; E559-L563 PolarHBondContact O-N 3.5Å; E559-L600 HydrophobicContact CB-CD1 3.8Å; E559-L600 HydrophobicContact CB-CD2 4.46Å; E559-L600 HydrophobicContact CG-CD1 3.56Å; E559-L600 HydrophobicContact CG-CD2 4.38Å |
| 560 | L | 75.2 | Confident | 67.1 | Low | 13 Ų | 13 | 84.4 Ų | 84.4 | 7% | 0.068 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -57 | -38.8 | 177.5 | -162.1 | 174.8 | 0 | 0 | 0 | 111.6 | L556 Q562 R564 L600 E601 L604 | L556-L560 WeakPolarHBondContact O-CB 3.13Å; L556-L560 PolarHBondContact O-N 3.45Å; L560-Q562 VanDerWaalsContact C-N 3.26Å; L560-Q562 PolarHBondContact O-N 3.43Å; L560-R564 PolarHBondContact O-N 3.47Å; L560-L600 HydrophobicContact CB-CB 4.02Å; L560-L600 HydrophobicContact CB-CD1 4.37Å; L560-L600 HydrophobicContact CG-CB 4.03Å; L560-E601 HydrophobicContact CD1-CB 4.48Å; L560-E601 HydrophobicContact CD1-CG 3.69Å; L560-E601 HydrophobicContact CD2-CG 3.89Å; L560-E601 HydrophobicContact CG-CG 3.9Å; L560-L604 HydrophobicContact CD1-CB 4.33Å; L560-L604 HydrophobicContact CD1-CD2 3.91Å |
| 561 | L | 70.8 | Confident | 66.2 | Low | 130 Ų | 130 | 84.9 Ų | 84.9 | 68% | 0.681 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.4 | -28.8 | 177.6 | -127.9 | 165.4 | 0 | 0 | 0 | 112.7 | S558 E559 | S558-L561 WeakPolarHBondContact O-CB 3.49Å; E559-L561 PolarHBondContact O-N 2.63Å |
| 562 | Q | 69.7 | Low | 64.6 | Low | 132 Ų | 132 | 84.4 Ų | 84.4 | 62% | 0.617 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -79.5 | -45.9 | 179.7 | -172 | 168.4 | -10.4 | 0 | 0 | 111.7 | E559 L560 R564 V565 | E559-Q562 WeakPolarHBondContact O-CB 3.45Å; E559-Q562 PolarHBondContact O-N 3.38Å; L560-Q562 VanDerWaalsContact C-N 3.26Å; L560-Q562 PolarHBondContact O-N 3.43Å; Q562-R564 PolarHBondContact O-N 2.75Å; Q562-V565 WeakPolarHBondContact O-CB 3.12Å; Q562-V565 PolarHBondContact O-N 2.85Å |
| 563 | L | 72.1 | Confident | 63.1 | Low | 7 Ų | 7 | 83.5 Ų | 83.5 | 4% | 0.037 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -68.9 | -32.6 | -177.6 | -57.4 | -173.2 | 0 | 0 | 0 | 113.3 | E559 V565 E566 E567 R596 I597 L600 | E559-L563 PolarHBondContact O-N 3.5Å; L563-V565 PolarHBondContact O-N 3.08Å; L563-E566 VanDerWaalsContact CD2-OE2 3.23Å; L563-E566 WeakPolarHBondContact CD2-OE2 3.49Å; L563-E566 WeakPolarHBondContact O-CA 3.23Å; L563-E566 WeakPolarHBondContact O-CB 3.28Å; L563-E566 PolarHBondContact O-N 3.3Å; L563-E567 PolarHBondContact O-N 2.84Å; L563-E567 VanDerWaalsContact O-N 3.14Å; L563-R596 HydrophobicContact CD1-CB 3.74Å; L563-R596 HydrophobicContact CD1-CG 3.51Å; L563-I597 HydrophobicContact CB-CD1 4.34Å; L563-I597 HydrophobicContact CB-CG1 3.48Å; L563-I597 VanDerWaalsContact CB-CG1 3.48Å; L563-I597 HydrophobicContact CD1-CG1 4.46Å; L563-I597 WeakPolarHBondContact O-CD1 3.36Å; L563-L600 HydrophobicContact CD1-CD1 3.42Å; L563-L600 VanDerWaalsContact CD1-CD1 3.42Å; L563-L600 HydrophobicContact CD1-CG 4.27Å; L563-L600 HydrophobicContact CG-CD1 4.01Å |
| 564 | R | 75.3 | Confident | 61.4 | Low | 127 Ų | 127 | 87.4 Ų | 87.4 | 48% | 0.479 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.3 | -19 | 179.8 | -149 | -170.3 | -77.5 | 163 | -9.2 | 113 | L560 Q562 S568 I597 E601 | L560-R564 PolarHBondContact O-N 3.47Å; Q562-R564 PolarHBondContact O-N 2.75Å; R564-S568 PolarHBondContact O-OG 3.33Å; R564-I597 HydrophobicContact CB-CD1 4.4Å; R564-I597 HydrophobicContact CG-CD1 4.39Å; R564-E601 IonicContact CZ-OE1 3.61Å; R564-E601 IonicContact NE-OE1 2.69Å; R564-E601 IonicContact NH2-OE1 3.5Å; R564-E601 PolarHBondContact NH2-OE1 2.78Å |
| 565 | V | 67.5 | Low | 59.7 | Low | 97 Ų | 97 | 89.3 Ų | 89.3 | 59% | 0.588 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -70.2 | -37.1 | 167.9 | 179.9 | 0 | 0 | 0 | 0 | 111 | Q562 L563 S568 | Q562-V565 WeakPolarHBondContact O-CB 3.12Å; Q562-V565 PolarHBondContact O-N 2.85Å; L563-V565 PolarHBondContact O-N 3.08Å; V565-S568 WeakPolarHBondContact O-CB 3.4Å; V565-S568 PolarHBondContact O-N 2.63Å |
| 566 | E | 65.3 | Low | 57.8 | Low | 77 Ų | 77 | 91 Ų | 91 | 36% | 0.36 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -74.3 | -34.8 | -178.7 | -55.5 | 175.2 | 144.9 | 0 | 0 | 111.5 | L563 S568 T569 L593 | L563-E566 VanDerWaalsContact CD2-OE2 3.23Å; L563-E566 WeakPolarHBondContact CD2-OE2 3.49Å; L563-E566 WeakPolarHBondContact O-CA 3.23Å; L563-E566 WeakPolarHBondContact O-CB 3.28Å; L563-E566 PolarHBondContact O-N 3.3Å; E566-S568 PolarHBondContact O-N 2.91Å; E566-T569 WeakPolarHBondContact O-CB 3.29Å; E566-T569 PolarHBondContact O-N 3.46Å; E566-T569 PolarHBondContact O-OG1 2.72Å; E566-L593 HydrophobicContact CB-CD1 3.48Å; E566-L593 VanDerWaalsContact CB-CD1 3.48Å; E566-L593 HydrophobicContact CB-CD2 3.77Å; E566-L593 HydrophobicContact CB-CG 4.13Å; E566-L593 HydrophobicContact CG-CD1 4.41Å |
| 567 | E | 59.6 | Low | 55.7 | Low | 38 Ų | 38 | 97.6 Ų | 97.6 | 18% | 0.178 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -57.5 | -38.8 | 171 | 167.4 | 178.8 | -153.3 | 0 | 0 | 111.6 | L563 T569 M570 Q571 L593 N594 I597 | L563-E567 PolarHBondContact O-N 2.84Å; L563-E567 VanDerWaalsContact O-N 3.14Å; E567-T569 PolarHBondContact O-N 2.82Å; E567-T569 VanDerWaalsContact O-N 3.12Å; E567-M570 PolarHBondContact O-N 2.69Å; E567-Q571 PolarHBondContact O-N 3.26Å; E567-Q571 PolarHBondContact OE1-NE2 2.95Å; E567-L593 HydrophobicContact CB-CD2 3.99Å; E567-N594 VanDerWaalsContact CD-ND2 3.29Å; E567-N594 PolarHBondContact OE1-ND2 2.97Å; E567-I597 HydrophobicContact CB-CD1 3.39Å; E567-I597 HydrophobicContact CG-CD1 4.25Å; E567-I597 WeakPolarHBondContact OE2-CD1 2.91Å |
| 568 | S | 56.6 | Low | 53.2 | Low | 84 Ų | 84 | 98.3 Ų | 98.3 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.7 | -17.8 | 178.9 | -55 | 0 | 0 | 0 | 0 | 113.3 | R564 V565 E566 | R564-S568 PolarHBondContact O-OG 3.33Å; V565-S568 WeakPolarHBondContact O-CB 3.4Å; V565-S568 PolarHBondContact O-N 2.63Å; E566-S568 PolarHBondContact O-N 2.91Å |
| 569 | T | 50.5 | Low | 50.8 | Low | 95 Ų | 95 | 100.9 Ų | 100.9 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -83.2 | -34.6 | 174.2 | 71.8 | 0 | 0 | 0 | 0 | 112.4 | E566 E567 N572 | E566-T569 WeakPolarHBondContact O-CB 3.29Å; E566-T569 PolarHBondContact O-N 3.46Å; E566-T569 PolarHBondContact O-OG1 2.72Å; E567-T569 PolarHBondContact O-N 2.82Å; E567-T569 VanDerWaalsContact O-N 3.12Å; T569-N572 PolarHBondContact O-ND2 2.76Å |
| 570 | M | 49.5 | Very low | 48.1 | Very low | 49 Ų | 49 | 99.3 Ų | 99.3 | 24% | 0.241 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -86.4 | -20.4 | -168.5 | -96.4 | -72.9 | -172.4 | 0 | 0 | 114 | E567 N572 E589 T590 | E567-M570 PolarHBondContact O-N 2.69Å; M570-N572 PolarHBondContact O-N 2.96Å; M570-E589 HydrophobicContact CE-CB 3.66Å; M570-T590 HydrophobicContact CB-CG2 3.79Å; M570-T590 HydrophobicContact CG-CG2 4.1Å; M570-T590 HydrophobicContact SD-CG2 3.71Å; M570-T590 PolarHBondContact SD-OG1 3.46Å |
| 571 | Q | 43 | Very low | 45.5 | Very low | 141 Ų | 141 | 107 Ų | 107 | 66% | 0.659 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 8.9 | -171.8 | -144.1 | 162.2 | 54.7 | 0 | 0 | 114.6 | E567 | E567-Q571 PolarHBondContact O-N 3.26Å; E567-Q571 PolarHBondContact OE1-NE2 2.95Å |
| 572 | N | 37.5 | Very low | 43 | Very low | 131 Ų | 131 | 104.9 Ų | 104.9 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -16.9 | 179.7 | -67.2 | -68.3 | 0 | 0 | 0 | 114 | T569 M570 | T569-N572 PolarHBondContact O-ND2 2.76Å; M570-N572 PolarHBondContact O-N 2.96Å |
| 573 | D | 36.9 | Very low | 40.7 | Very low | 110 Ų | 110 | 104.1 Ų | 104.1 | 59% | 0.588 | 56% | 0.56 | S | S | * | * | trans | -101.1 | 116.8 | -165 | -90 | -53.5 | 0 | 0 | 0 | 115.3 | ||||
| 574 | T | 35.2 | Very low | 38.3 | Very low | 109 Ų | 109 | 109.2 Ų | 109.2 | 67% | 0.669 | 59% | 0.591 | S | S | * | * | 57.5 | 123.7 | 127.7 | -50.5 | 0 | 0 | 0 | 0 | 119 | |||||
| 575 | V | 30.9 | Very low | 35.9 | Very low | 114 Ų | 114 | 109.3 Ų | 109.3 | 69% | 0.691 | 60% | 0.601 | S | S | * | * | cis | 131.3 | 137.2 | -1.1 | 161.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 576 | H | 29.3 | Very low | 34.1 | Very low | 151 Ų | 151 | 109.9 Ų | 109.9 | 70% | 0.699 | 60% | 0.601 | S | S | * | * | trans | 70.8 | 118.8 | 163.9 | -75.3 | -41.8 | 0 | 0 | 0 | 122.7 | ||||
| 577 | H | 29.1 | Very low | 32.8 | Very low | 161 Ų | 161 | 109.7 Ų | 109.7 | 75% | 0.745 | 60% | 0.602 | S | S | * | * | 61.1 | 167.1 | 125.6 | -63 | -38.5 | 0 | 0 | 0 | 122.3 | |||||
| 578 | N | 19.7 | Very low | 31.9 | Very low | 134 Ų | 134 | 111.1 Ų | 111.1 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | trans | 60.3 | 121 | -152.8 | -62.2 | -39.4 | 0 | 0 | 0 | 111.6 | ||||
| 579 | N | 18.5 | Very low | 31.4 | Very low | 134 Ų | 134 | 113.4 Ų | 113.4 | 72% | 0.717 | 62% | 0.618 | S | S | * | * | cis | 69.1 | 139.8 | 41.4 | -161.9 | 26.9 | 0 | 0 | 0 | 113.5 | ||||
| 580 | S | 17.9 | Very low | 31.4 | Very low | 51 Ų | 51 | 110 Ų | 110 | 36% | 0.357 | 60% | 0.597 | S | S | . | * | S | Bend | trans | 48.2 | 93.1 | 150.8 | 61.5 | 0 | 0 | 0 | 0 | 117.9 | V582 | S580-V582 WeakPolarHBondContact O-CB 3.36Å; S580-V582 WeakPolarHBondContact O-CG2 3.38Å; S580-V582 PolarHBondContact O-N 3.3Å |
| 581 | N | 21.1 | Very low | 31.5 | Very low | 175 Ų | 175 | 111.9 Ų | 111.9 | 94% | 0.936 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 68.7 | 12 | 143.4 | -32.3 | -32.7 | 0 | 0 | 0 | 116.2 | ||
| 582 | V | 18 | Very low | 32.4 | Very low | 86 Ų | 86 | 110.9 Ų | 110.9 | 52% | 0.521 | 60% | 0.604 | S | S | . | * | trans | -130 | 127.5 | -152.3 | 149.3 | 0 | 0 | 0 | 0 | 111.3 | S580 | S580-V582 WeakPolarHBondContact O-CB 3.36Å; S580-V582 WeakPolarHBondContact O-CG2 3.38Å; S580-V582 PolarHBondContact O-N 3.3Å | ||
| 583 | T | 20.6 | Very low | 33.5 | Very low | 115 Ų | 115 | 106.3 Ų | 106.3 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | trans | 61 | 127.9 | 159 | 55.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 584 | V | 22.7 | Very low | 34.6 | Very low | 114 Ų | 114 | 102.4 Ų | 102.4 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | 60.6 | 119.8 | 57.7 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 585 | N | 25.4 | Very low | 36.3 | Very low | 130 Ų | 130 | 101 Ų | 101 | 70% | 0.695 | 55% | 0.546 | S | S | * | . | trans | 64.6 | 157.5 | 169.8 | -59.8 | -4.3 | 0 | 0 | 0 | 116.4 | ||||
| 586 | N | 28 | Very low | 38.4 | Very low | 109 Ų | 109 | 101.6 Ų | 101.6 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | cis | -149.6 | 147.2 | -35.4 | -108.3 | -17.9 | 0 | 0 | 0 | 107.1 | ||||
| 587 | N | 38.4 | Very low | 40.6 | Very low | 72 Ų | 72 | 94.6 Ų | 94.6 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | trans | -165 | 56.9 | 147 | -104.6 | -2.8 | 0 | 0 | 0 | 104.9 | T590 N591 | N587-T590 HydrophobicContact CB-CG2 4.37Å; N587-T590 VanDerWaalsContact CB-OG1 3.24Å; N587-T590 WeakPolarHBondContact CB-OG1 3.44Å; N587-T590 PolarHBondContact OD1-OG1 2.93Å; N587-N591 VanDerWaalsContact O-CB 3.29Å; N587-N591 WeakPolarHBondContact O-CB 3.28Å; N587-N591 PolarHBondContact O-N 2.92Å; N587-N591 PolarHBondContact O-ND2 2.93Å | ||
| 588 | S | 41.7 | Very low | 42.4 | Very low | 69 Ų | 69 | 92 Ų | 92 | 48% | 0.483 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -52 | -172.6 | 47.6 | 0 | 0 | 0 | 0 | 110 | N591 E592 | S588-N591 PolarHBondContact O-N 2.65Å; S588-E592 WeakPolarHBondContact O-CA 3.37Å; S588-E592 WeakPolarHBondContact O-CB 3.23Å; S588-E592 PolarHBondContact O-N 2.57Å |
| 589 | E | 44.6 | Very low | 45.1 | Very low | 132 Ų | 132 | 90.1 Ų | 90.1 | 62% | 0.617 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.8 | -43.3 | 176.2 | -62.7 | 174.5 | 173.9 | 0 | 0 | 111.5 | M570 N591 E592 L593 | M570-E589 HydrophobicContact CE-CB 3.66Å; E589-N591 PolarHBondContact O-N 3Å; E589-E592 PolarHBondContact O-N 3.45Å; E589-L593 WeakPolarHBondContact O-CB 3.43Å; E589-L593 PolarHBondContact O-N 2.83Å |
| 590 | T | 51.5 | Low | 47.4 | Very low | 24 Ų | 24 | 84.1 Ų | 84.1 | 15% | 0.147 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -56.8 | -50.8 | 177 | -30.2 | 0 | 0 | 0 | 0 | 111.4 | M570 N587 N594 | M570-T590 HydrophobicContact CB-CG2 3.79Å; M570-T590 HydrophobicContact CG-CG2 4.1Å; M570-T590 HydrophobicContact SD-CG2 3.71Å; M570-T590 PolarHBondContact SD-OG1 3.46Å; N587-T590 HydrophobicContact CB-CG2 4.37Å; N587-T590 VanDerWaalsContact CB-OG1 3.24Å; N587-T590 WeakPolarHBondContact CB-OG1 3.44Å; N587-T590 PolarHBondContact OD1-OG1 2.93Å; T590-N594 VanDerWaalsContact O-CB 3.27Å; T590-N594 WeakPolarHBondContact O-CB 2.92Å; T590-N594 PolarHBondContact O-N 3.43Å |
| 591 | N | 50.4 | Low | 49.9 | Very low | 87 Ų | 87 | 84.5 Ų | 84.5 | 47% | 0.465 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -78.1 | -33.5 | -179.3 | -74.4 | -67.4 | 0 | 0 | 0 | 111.9 | N587 S588 E589 L593 N594 N595 | N587-N591 VanDerWaalsContact O-CB 3.29Å; N587-N591 WeakPolarHBondContact O-CB 3.28Å; N587-N591 PolarHBondContact O-N 2.92Å; N587-N591 PolarHBondContact O-ND2 2.93Å; S588-N591 PolarHBondContact O-N 2.65Å; E589-N591 PolarHBondContact O-N 3Å; N591-L593 VanDerWaalsContact C-N 3.3Å; N591-L593 PolarHBondContact O-N 2.97Å; N591-N594 PolarHBondContact O-N 3.29Å; N591-N595 WeakPolarHBondContact O-CA 3.19Å; N591-N595 WeakPolarHBondContact O-CB 3.4Å; N591-N595 PolarHBondContact O-N 2.83Å; N591-N595 PolarHBondContact O-ND2 2.67Å; N591-N595 VanDerWaalsContact O-ND2 3.12Å; N591-N595 PolarHBondContact O-OD1 2.81Å |
| 592 | E | 63.4 | Low | 52.1 | Low | 121 Ų | 121 | 77.9 Ų | 77.9 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.2 | -45 | 172.4 | 177.1 | 173.9 | -171.6 | 0 | 0 | 110 | S588 E589 N595 R596 | S588-E592 WeakPolarHBondContact O-CA 3.37Å; S588-E592 WeakPolarHBondContact O-CB 3.23Å; S588-E592 PolarHBondContact O-N 2.57Å; E589-E592 PolarHBondContact O-N 3.45Å; E592-N595 CarbonylContact O-C 3.5Å; E592-N595 WeakPolarHBondContact O-CB 2.85Å; E592-N595 PolarHBondContact O-N 2.73Å; E592-R596 VanDerWaalsContact O-CB 3.27Å; E592-R596 WeakPolarHBondContact O-CB 3.46Å; E592-R596 PolarHBondContact O-N 2.99Å |
| 593 | L | 60.2 | Low | 54.7 | Low | 34 Ų | 34 | 77.9 Ų | 77.9 | 18% | 0.178 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.2 | -43.6 | 178.4 | -165.9 | 140.1 | 0 | 0 | 0 | 112.3 | E566 E567 E589 N591 N595 R596 I597 | E566-L593 HydrophobicContact CB-CD1 3.48Å; E566-L593 VanDerWaalsContact CB-CD1 3.48Å; E566-L593 HydrophobicContact CB-CD2 3.77Å; E566-L593 HydrophobicContact CB-CG 4.13Å; E566-L593 HydrophobicContact CG-CD1 4.41Å; E567-L593 HydrophobicContact CB-CD2 3.99Å; E589-L593 WeakPolarHBondContact O-CB 3.43Å; E589-L593 PolarHBondContact O-N 2.83Å; N591-L593 VanDerWaalsContact C-N 3.3Å; N591-L593 PolarHBondContact O-N 2.97Å; L593-N595 VanDerWaalsContact C-N 3.28Å; L593-N595 PolarHBondContact O-N 3.11Å; L593-R596 WeakPolarHBondContact O-CB 3.45Å; L593-R596 PolarHBondContact O-N 2.75Å; L593-R596 VanDerWaalsContact O-N 3.08Å; L593-I597 HydrophobicContact CD2-CD1 4.06Å; L593-I597 WeakPolarHBondContact O-CG1 3.22Å; L593-I597 PolarHBondContact O-N 3.24Å |
| 594 | N | 59.2 | Low | 57 | Low | 29 Ų | 29 | 73.8 Ų | 73.8 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 173 | -152 | -79.1 | 0 | 0 | 0 | 111.7 | E567 T590 N591 K598 | E567-N594 VanDerWaalsContact CD-ND2 3.29Å; E567-N594 PolarHBondContact OE1-ND2 2.97Å; T590-N594 VanDerWaalsContact O-CB 3.27Å; T590-N594 WeakPolarHBondContact O-CB 2.92Å; T590-N594 PolarHBondContact O-N 3.43Å; N591-N594 PolarHBondContact O-N 3.29Å; N594-K598 WeakPolarHBondContact O-CB 3.41Å; N594-K598 WeakPolarHBondContact O-CD 3.41Å; N594-K598 VanDerWaalsContact O-CG 3.28Å; N594-K598 WeakPolarHBondContact O-CG 3.01Å; N594-K598 PolarHBondContact O-N 2.79Å; N594-K598 WeakPolarHBondContact OD1-CE 3.24Å; N594-K598 PolarHBondContact OD1-NZ 2.86Å |
| 595 | N | 71 | Confident | 58.8 | Low | 79 Ų | 79 | 72.9 Ų | 72.9 | 42% | 0.422 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.5 | -34.2 | 172.2 | -73.3 | -20.3 | 0 | 0 | 0 | 111.3 | N591 E592 L593 K598 I599 | N591-N595 WeakPolarHBondContact O-CA 3.19Å; N591-N595 WeakPolarHBondContact O-CB 3.4Å; N591-N595 PolarHBondContact O-N 2.83Å; N591-N595 PolarHBondContact O-ND2 2.67Å; N591-N595 VanDerWaalsContact O-ND2 3.12Å; N591-N595 PolarHBondContact O-OD1 2.81Å; E592-N595 CarbonylContact O-C 3.5Å; E592-N595 WeakPolarHBondContact O-CB 2.85Å; E592-N595 PolarHBondContact O-N 2.73Å; L593-N595 VanDerWaalsContact C-N 3.28Å; L593-N595 PolarHBondContact O-N 3.11Å; N595-K598 CarbonylContact O-C 3.45Å; N595-K598 PolarHBondContact O-N 2.93Å; N595-I599 VanDerWaalsContact O-CB 3.31Å; N595-I599 WeakPolarHBondContact O-CB 3.12Å; N595-I599 WeakPolarHBondContact O-CD1 3.31Å; N595-I599 WeakPolarHBondContact O-CG1 3.39Å; N595-I599 PolarHBondContact O-N 2.73Å |
| 596 | R | 76.6 | Confident | 60.8 | Low | 127 Ų | 127 | 71.9 Ų | 71.9 | 48% | 0.479 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -70.9 | -37.7 | 178 | -154.5 | 173.2 | 157.4 | 178.5 | -14 | 111 | L563 E592 L593 I599 L600 | L563-R596 HydrophobicContact CD1-CB 3.74Å; L563-R596 HydrophobicContact CD1-CG 3.51Å; E592-R596 VanDerWaalsContact O-CB 3.27Å; E592-R596 WeakPolarHBondContact O-CB 3.46Å; E592-R596 PolarHBondContact O-N 2.99Å; L593-R596 WeakPolarHBondContact O-CB 3.45Å; L593-R596 PolarHBondContact O-N 2.75Å; L593-R596 VanDerWaalsContact O-N 3.08Å; R596-I599 PolarHBondContact O-N 2.7Å; R596-L600 WeakPolarHBondContact O-CG 3.5Å; R596-L600 PolarHBondContact O-N 2.71Å |
| 597 | I | 74.1 | Confident | 62.4 | Low | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.4 | -52 | 165.3 | -64.1 | 163 | 0 | 0 | 0 | 110.3 | L563 R564 E567 L593 I599 L600 E601 | L563-I597 HydrophobicContact CB-CD1 4.34Å; L563-I597 HydrophobicContact CB-CG1 3.48Å; L563-I597 VanDerWaalsContact CB-CG1 3.48Å; L563-I597 HydrophobicContact CD1-CG1 4.46Å; L563-I597 WeakPolarHBondContact O-CD1 3.36Å; R564-I597 HydrophobicContact CB-CD1 4.4Å; R564-I597 HydrophobicContact CG-CD1 4.39Å; E567-I597 HydrophobicContact CB-CD1 3.39Å; E567-I597 HydrophobicContact CG-CD1 4.25Å; E567-I597 WeakPolarHBondContact OE2-CD1 2.91Å; L593-I597 HydrophobicContact CD2-CD1 4.06Å; L593-I597 WeakPolarHBondContact O-CG1 3.22Å; L593-I597 PolarHBondContact O-N 3.24Å; I597-I599 VanDerWaalsContact C-N 3.25Å; I597-I599 PolarHBondContact O-N 2.66Å; I597-L600 PolarHBondContact O-N 2.75Å; I597-L600 VanDerWaalsContact O-N 3.13Å; I597-E601 HydrophobicContact CG2-CG 4.38Å; I597-E601 WeakPolarHBondContact O-CB 2.92Å; I597-E601 PolarHBondContact O-N 2.74Å |
| 598 | K | 66.8 | Low | 63 | Low | 107 Ų | 107 | 70.8 Ų | 70.8 | 47% | 0.465 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.2 | -30.7 | 177.6 | -74 | 161.7 | 176.2 | 153.9 | 0 | 113.1 | N594 N595 S602 | N594-K598 WeakPolarHBondContact O-CB 3.41Å; N594-K598 WeakPolarHBondContact O-CD 3.41Å; N594-K598 VanDerWaalsContact O-CG 3.28Å; N594-K598 WeakPolarHBondContact O-CG 3.01Å; N594-K598 PolarHBondContact O-N 2.79Å; N594-K598 WeakPolarHBondContact OD1-CE 3.24Å; N594-K598 PolarHBondContact OD1-NZ 2.86Å; N595-K598 CarbonylContact O-C 3.45Å; N595-K598 PolarHBondContact O-N 2.93Å; K598-S602 WeakPolarHBondContact O-CA 3.41Å; K598-S602 WeakPolarHBondContact O-CB 3.06Å; K598-S602 PolarHBondContact O-N 2.84Å |
| 599 | I | 76.6 | Confident | 63.6 | Low | 95 Ų | 95 | 70.2 Ų | 70.2 | 49% | 0.487 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.9 | -48.1 | 174.7 | -79.1 | 160.3 | 0 | 0 | 0 | 109.1 | N595 R596 I597 S602 E603 | N595-I599 VanDerWaalsContact O-CB 3.31Å; N595-I599 WeakPolarHBondContact O-CB 3.12Å; N595-I599 WeakPolarHBondContact O-CD1 3.31Å; N595-I599 WeakPolarHBondContact O-CG1 3.39Å; N595-I599 PolarHBondContact O-N 2.73Å; R596-I599 PolarHBondContact O-N 2.7Å; I597-I599 VanDerWaalsContact C-N 3.25Å; I597-I599 PolarHBondContact O-N 2.66Å; I599-S602 CarbonylContact O-C 3.59Å; I599-S602 WeakPolarHBondContact O-CA 3.47Å; I599-S602 WeakPolarHBondContact O-CB 3.19Å; I599-S602 PolarHBondContact O-N 2.67Å; I599-S602 VanDerWaalsContact O-N 3.12Å; I599-S602 PolarHBondContact O-OG 2.62Å; I599-E603 HydrophobicContact CG2-CG 4.48Å; I599-E603 WeakPolarHBondContact O-CG 2.78Å; I599-E603 PolarHBondContact O-N 3.5Å |
| 600 | L | 67 | Low | 64.1 | Low | 7 Ų | 7 | 67.7 Ų | 67.7 | 4% | 0.037 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 177.5 | -63.1 | 178.9 | 0 | 0 | 0 | 112.6 | L556 E559 L560 L563 R596 I597 S602 E603 L604 | L556-L600 HydrophobicContact CD2-CD2 3.45Å; L556-L600 VanDerWaalsContact CD2-CD2 3.45Å; E559-L600 HydrophobicContact CB-CD1 3.8Å; E559-L600 HydrophobicContact CB-CD2 4.46Å; E559-L600 HydrophobicContact CG-CD1 3.56Å; E559-L600 HydrophobicContact CG-CD2 4.38Å; L560-L600 HydrophobicContact CB-CB 4.02Å; L560-L600 HydrophobicContact CB-CD1 4.37Å; L560-L600 HydrophobicContact CG-CB 4.03Å; L563-L600 HydrophobicContact CD1-CD1 3.42Å; L563-L600 VanDerWaalsContact CD1-CD1 3.42Å; L563-L600 HydrophobicContact CD1-CG 4.27Å; L563-L600 HydrophobicContact CG-CD1 4.01Å; R596-L600 WeakPolarHBondContact O-CG 3.5Å; R596-L600 PolarHBondContact O-N 2.71Å; I597-L600 PolarHBondContact O-N 2.75Å; I597-L600 VanDerWaalsContact O-N 3.13Å; L600-S602 VanDerWaalsContact C-N 3.28Å; L600-S602 PolarHBondContact O-N 2.84Å; L600-E603 PolarHBondContact O-N 3.08Å; L600-L604 VanDerWaalsContact O-CB 3.25Å; L600-L604 WeakPolarHBondContact O-CB 3.23Å; L600-L604 PolarHBondContact O-N 3.28Å |
| 601 | E | 70.4 | Confident | 63.8 | Low | 60 Ų | 60 | 68.5 Ų | 68.5 | 28% | 0.28 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 168.6 | -75.7 | 178 | 174.4 | 0 | 0 | 111.4 | L560 R564 I597 N605 | L560-E601 HydrophobicContact CD1-CB 4.48Å; L560-E601 HydrophobicContact CD1-CG 3.69Å; L560-E601 HydrophobicContact CD2-CG 3.89Å; L560-E601 HydrophobicContact CG-CG 3.9Å; R564-E601 IonicContact CZ-OE1 3.61Å; R564-E601 IonicContact NE-OE1 2.69Å; R564-E601 IonicContact NH2-OE1 3.5Å; R564-E601 PolarHBondContact NH2-OE1 2.78Å; I597-E601 HydrophobicContact CG2-CG 4.38Å; I597-E601 WeakPolarHBondContact O-CB 2.92Å; I597-E601 PolarHBondContact O-N 2.74Å; E601-N605 WeakPolarHBondContact O-CB 3.19Å; E601-N605 PolarHBondContact O-N 2.77Å; E601-N605 PolarHBondContact O-ND2 3.02Å; E601-N605 VanDerWaalsContact O-ND2 3.14Å |
| 602 | S | 67.1 | Low | 63.4 | Low | 36 Ų | 36 | 69.8 Ų | 69.8 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -73.4 | -36.6 | 173.2 | 91.4 | 0 | 0 | 0 | 0 | 112.3 | K598 I599 L600 K606 | K598-S602 WeakPolarHBondContact O-CA 3.41Å; K598-S602 WeakPolarHBondContact O-CB 3.06Å; K598-S602 PolarHBondContact O-N 2.84Å; I599-S602 CarbonylContact O-C 3.59Å; I599-S602 WeakPolarHBondContact O-CA 3.47Å; I599-S602 WeakPolarHBondContact O-CB 3.19Å; I599-S602 PolarHBondContact O-N 2.67Å; I599-S602 VanDerWaalsContact O-N 3.12Å; I599-S602 PolarHBondContact O-OG 2.62Å; L600-S602 VanDerWaalsContact C-N 3.28Å; L600-S602 PolarHBondContact O-N 2.84Å; S602-K606 WeakPolarHBondContact O-CA 3.26Å; S602-K606 WeakPolarHBondContact O-CB 3.13Å; S602-K606 VanDerWaalsContact O-CD 3.24Å; S602-K606 WeakPolarHBondContact O-CD 3Å; S602-K606 WeakPolarHBondContact O-CG 3.25Å; S602-K606 PolarHBondContact O-N 3.17Å; S602-K606 PolarHBondContact OG-NZ 2.57Å |
| 603 | E | 72.7 | Confident | 62.4 | Low | 86 Ų | 86 | 66.3 Ų | 66.3 | 40% | 0.402 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -71.7 | -42.3 | 177.7 | -75.4 | -110.7 | 111.7 | 0 | 0 | 110.3 | L556 I599 L600 K606 M607 | L556-E603 HydrophobicContact CD1-CB 3.92Å; L556-E603 HydrophobicContact CD2-CB 4.15Å; I599-E603 HydrophobicContact CG2-CG 4.48Å; I599-E603 WeakPolarHBondContact O-CG 2.78Å; I599-E603 PolarHBondContact O-N 3.5Å; L600-E603 PolarHBondContact O-N 3.08Å; E603-K606 PolarHBondContact O-N 2.67Å; E603-M607 WeakPolarHBondContact O-CB 3.14Å; E603-M607 WeakPolarHBondContact O-CG 3.22Å; E603-M607 PolarHBondContact O-N 2.87Å |
| 604 | L | 70.1 | Confident | 61.5 | Low | 29 Ų | 29 | 65.8 Ų | 65.8 | 15% | 0.152 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.7 | -50.6 | 172.8 | -164 | 79 | 0 | 0 | 0 | 110.4 | L553 L556 Q557 L560 L600 K606 M607 W608 | L553-L604 HydrophobicContact CD2-CD1 3.93Å; L553-L604 HydrophobicContact CD2-CG 4.41Å; L556-L604 HydrophobicContact CB-CD1 4.39Å; Q557-L604 HydrophobicContact CB-CD1 3.9Å; Q557-L604 HydrophobicContact CG-CD1 4.03Å; Q557-L604 HydrophobicContact CG-CD2 4.13Å; L560-L604 HydrophobicContact CD1-CB 4.33Å; L560-L604 HydrophobicContact CD1-CD2 3.91Å; L600-L604 VanDerWaalsContact O-CB 3.25Å; L600-L604 WeakPolarHBondContact O-CB 3.23Å; L600-L604 PolarHBondContact O-N 3.28Å; L604-K606 PolarHBondContact O-N 2.88Å; L604-M607 PolarHBondContact O-N 3.11Å; L604-W608 WeakPolarHBondContact O-CB 3.44Å; L604-W608 PolarHBondContact O-N 3.05Å |
| 605 | N | 59.6 | Low | 60.3 | Low | 94 Ų | 94 | 66.9 Ų | 66.9 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.5 | -33.1 | 176 | -83.3 | -49.2 | 0 | 0 | 0 | 113.1 | E601 T609 | E601-N605 WeakPolarHBondContact O-CB 3.19Å; E601-N605 PolarHBondContact O-N 2.77Å; E601-N605 PolarHBondContact O-ND2 3.02Å; E601-N605 VanDerWaalsContact O-ND2 3.14Å; N605-T609 WeakPolarHBondContact O-CB 3.21Å; N605-T609 PolarHBondContact O-N 2.77Å; N605-T609 PolarHBondContact O-OG1 2.81Å |
| 606 | K | 66.8 | Low | 58.4 | Low | 109 Ų | 109 | 66.1 Ų | 66.1 | 47% | 0.474 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -51.4 | 173.5 | -82.1 | 160.2 | -173.5 | 158.4 | 0 | 108.9 | S602 E603 L604 W608 T609 M610 | S602-K606 WeakPolarHBondContact O-CA 3.26Å; S602-K606 WeakPolarHBondContact O-CB 3.13Å; S602-K606 VanDerWaalsContact O-CD 3.24Å; S602-K606 WeakPolarHBondContact O-CD 3Å; S602-K606 WeakPolarHBondContact O-CG 3.25Å; S602-K606 PolarHBondContact O-N 3.17Å; S602-K606 PolarHBondContact OG-NZ 2.57Å; E603-K606 PolarHBondContact O-N 2.67Å; L604-K606 PolarHBondContact O-N 2.88Å; K606-W608 PolarHBondContact O-N 2.96Å; K606-T609 CarbonylContact O-C 3.48Å; K606-T609 WeakPolarHBondContact O-CA 3.29Å; K606-T609 WeakPolarHBondContact O-CB 3.13Å; K606-T609 PolarHBondContact O-N 3.39Å; K606-M610 WeakPolarHBondContact O-CB 3.46Å; K606-M610 WeakPolarHBondContact O-CG 3.22Å; K606-M610 PolarHBondContact O-N 3.38Å |
| 607 | M | 62.3 | Low | 55.9 | Low | 15 Ų | 15 | 61.3 Ų | 61.3 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.3 | -34.3 | 178.1 | -69.4 | -171.3 | -51.8 | 0 | 0 | 113.6 | I549 K552 L553 L556 E603 L604 T609 M610 A611 | I549-M607 HydrophobicContact CG2-CB 4.25Å; I549-M607 WeakPolarHBondContact CG2-O 3.32Å; K552-M607 HydrophobicContact CB-CE 4.25Å; K552-M607 HydrophobicContact CB-SD 3.35Å; K552-M607 WeakPolarHBondContact CB-SD 3.47Å; K552-M607 HydrophobicContact CD-SD 4.15Å; K552-M607 HydrophobicContact CG-SD 4.42Å; L553-M607 HydrophobicContact CB-CE 4.4Å; L553-M607 HydrophobicContact CD2-CB 3.89Å; L553-M607 HydrophobicContact CD2-CE 4.01Å; L553-M607 HydrophobicContact CG-CB 3.9Å; L553-M607 HydrophobicContact CG-CE 4.02Å; L556-M607 HydrophobicContact CB-CE 3.89Å; L556-M607 HydrophobicContact CD1-CE 3.23Å; L556-M607 HydrophobicContact CD1-SD 3.76Å; L556-M607 HydrophobicContact CG-CE 4.13Å; E603-M607 WeakPolarHBondContact O-CB 3.14Å; E603-M607 WeakPolarHBondContact O-CG 3.22Å; E603-M607 PolarHBondContact O-N 2.87Å; L604-M607 PolarHBondContact O-N 3.11Å; M607-T609 VanDerWaalsContact C-N 3.35Å; M607-M610 CarbonylContact O-C 3.58Å; M607-M610 WeakPolarHBondContact O-CA 3.43Å; M607-M610 PolarHBondContact O-N 3.33Å; M607-M610 VanDerWaalsContact O-N 3.09Å; M607-A611 PolarHBondContact O-N 3.09Å |
| 608 | W | 51.7 | Low | 53.5 | Low | 143 Ų | 143 | 63.2 Ų | 63.2 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.9 | -39.8 | 174.6 | -163.3 | 82.8 | 0 | 0 | 0 | 110.5 | L553 L604 K606 M610 A611 H612 | L553-W608 HydrophobicContact CD2-CB 4.21Å; L604-W608 WeakPolarHBondContact O-CB 3.44Å; L604-W608 PolarHBondContact O-N 3.05Å; K606-W608 PolarHBondContact O-N 2.96Å; W608-M610 VanDerWaalsContact C-N 3.32Å; W608-A611 PolarHBondContact O-N 3.44Å; W608-H612 AromaticContact CE3-CD2 3.81Å; W608-H612 AromaticContact CH2-CD2 3.72Å; W608-H612 AromaticContact CH2-NE2 3.43Å; W608-H612 WeakPolarHBondContact CH2-NE2 2.95Å; W608-H612 AromaticContact CZ2-CD2 3.94Å; W608-H612 AromaticContact CZ2-NE2 3.67Å; W608-H612 AromaticContact CZ3-CD2 3.65Å; W608-H612 AromaticContact CZ3-NE2 3.83Å; W608-H612 WeakPolarHBondContact O-CB 3.01Å; W608-H612 PolarHBondContact O-N 2.65Å |
| 609 | T | 54.4 | Low | 51.5 | Low | 57 Ų | 57 | 61.1 Ų | 61.1 | 35% | 0.35 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.5 | -34 | 166.2 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | N605 K606 M607 H612 L613 | N605-T609 WeakPolarHBondContact O-CB 3.21Å; N605-T609 PolarHBondContact O-N 2.77Å; N605-T609 PolarHBondContact O-OG1 2.81Å; K606-T609 CarbonylContact O-C 3.48Å; K606-T609 WeakPolarHBondContact O-CA 3.29Å; K606-T609 WeakPolarHBondContact O-CB 3.13Å; K606-T609 PolarHBondContact O-N 3.39Å; M607-T609 VanDerWaalsContact C-N 3.35Å; T609-H612 CarbonylContact O-C 3.48Å; T609-H612 PolarHBondContact O-N 2.79Å; T609-L613 HydrophobicContact CG2-CB 4.06Å; T609-L613 HydrophobicContact CG2-CD1 4.12Å; T609-L613 CarbonylContact O-C 2.85Å; T609-L613 WeakPolarHBondContact O-CA 3.09Å; T609-L613 WeakPolarHBondContact O-CB 3.38Å; T609-L613 PolarHBondContact O-N 3.3Å |
| 610 | M | 54.3 | Low | 48.8 | Very low | 79 Ų | 79 | 58.1 Ų | 58.1 | 39% | 0.389 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.5 | -30 | 174.2 | -67.7 | -178.5 | 172.4 | 0 | 0 | 111.4 | I549 K606 M607 W608 L614 | I549-M610 HydrophobicContact CD1-CB 4.01Å; I549-M610 HydrophobicContact CG2-CB 4.33Å; K606-M610 WeakPolarHBondContact O-CB 3.46Å; K606-M610 WeakPolarHBondContact O-CG 3.22Å; K606-M610 PolarHBondContact O-N 3.38Å; M607-M610 CarbonylContact O-C 3.58Å; M607-M610 WeakPolarHBondContact O-CA 3.43Å; M607-M610 PolarHBondContact O-N 3.33Å; M607-M610 VanDerWaalsContact O-N 3.09Å; W608-M610 VanDerWaalsContact C-N 3.32Å; M610-L614 HydrophobicContact CB-CB 3.99Å; M610-L614 HydrophobicContact CB-CD1 3.73Å; M610-L614 HydrophobicContact CB-CG 3.72Å; M610-L614 HydrophobicContact CE-CD1 4.06Å; M610-L614 HydrophobicContact CG-CB 4.44Å; M610-L614 HydrophobicContact CG-CD1 3.4Å; M610-L614 HydrophobicContact CG-CG 3.63Å; M610-L614 CarbonylContact O-C 3.3Å; M610-L614 WeakPolarHBondContact O-CA 3.49Å; M610-L614 WeakPolarHBondContact O-CB 3.38Å; M610-L614 PolarHBondContact O-N 3.3Å; M610-L614 HydrophobicContact SD-CD1 3.63Å |
| 611 | A | 45.5 | Very low | 46.8 | Very low | 41 Ų | 41 | 62 Ų | 62 | 34% | 0.339 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I549 L553 M607 W608 | I549-A611 HydrophobicContact CG2-CB 4.45Å; L553-A611 HydrophobicContact CD1-CB 4.43Å; M607-A611 PolarHBondContact O-N 3.09Å; W608-A611 PolarHBondContact O-N 3.44Å |
| 612 | H | 41.3 | Very low | 44.7 | Very low | 114 Ų | 114 | 61.9 Ų | 61.9 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.1 | -30.8 | 179.8 | -103.3 | -80.6 | 0 | 0 | 0 | 115.1 | W608 T609 | W608-H612 AromaticContact CE3-CD2 3.81Å; W608-H612 AromaticContact CH2-CD2 3.72Å; W608-H612 AromaticContact CH2-NE2 3.43Å; W608-H612 WeakPolarHBondContact CH2-NE2 2.95Å; W608-H612 AromaticContact CZ2-CD2 3.94Å; W608-H612 AromaticContact CZ2-NE2 3.67Å; W608-H612 AromaticContact CZ3-CD2 3.65Å; W608-H612 AromaticContact CZ3-NE2 3.83Å; W608-H612 WeakPolarHBondContact O-CB 3.01Å; W608-H612 PolarHBondContact O-N 2.65Å; T609-H612 CarbonylContact O-C 3.48Å; T609-H612 PolarHBondContact O-N 2.79Å |
| 613 | L | 42.6 | Very low | 42.7 | Very low | 48 Ų | 48 | 65.9 Ų | 65.9 | 25% | 0.251 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -148.7 | 7.2 | -160.6 | -85.2 | 179.3 | 0 | 0 | 0 | 112.9 | Y538 T609 F616 | Y538-L613 HydrophobicContact CD1-CD2 4.34Å; Y538-L613 HydrophobicContact CE1-CB 4.05Å; Y538-L613 HydrophobicContact CE1-CD1 4.08Å; Y538-L613 HydrophobicContact CE1-CD2 3.9Å; Y538-L613 HydrophobicContact CE1-CG 4.24Å; T609-L613 HydrophobicContact CG2-CB 4.06Å; T609-L613 HydrophobicContact CG2-CD1 4.12Å; T609-L613 CarbonylContact O-C 2.85Å; T609-L613 WeakPolarHBondContact O-CA 3.09Å; T609-L613 WeakPolarHBondContact O-CB 3.38Å; T609-L613 PolarHBondContact O-N 3.3Å; L613-F616 HydrophobicContact CD2-CB 3.98Å; L613-F616 HydrophobicContact CD2-CD2 3.82Å; L613-F616 HydrophobicContact CD2-CG 3.99Å; L613-F616 CarbonylContact O-C 3.28Å; L613-F616 WeakPolarHBondContact O-CA 3.49Å; L613-F616 PolarHBondContact O-N 2.91Å |
| 614 | L | 42.4 | Very low | 40.5 | Very low | 24 Ų | 24 | 67.5 Ų | 67.5 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -108.1 | 57 | 143.9 | -59.8 | -171.8 | 0 | 0 | 0 | 107.8 | F541 I549 M610 E617 | F541-L614 HydrophobicContact CD1-CB 4.03Å; F541-L614 WeakPolarHBondContact CD1-O 3.44Å; F541-L614 HydrophobicContact CE1-CB 3.66Å; F541-L614 HydrophobicContact CE1-CD1 4.02Å; F541-L614 HydrophobicContact CE1-CG 4.29Å; F541-L614 HydrophobicContact CE2-CB 4.24Å; F541-L614 HydrophobicContact CE2-CD2 3.96Å; F541-L614 HydrophobicContact CZ-CB 3.75Å; F541-L614 HydrophobicContact CZ-CD1 3.81Å; F541-L614 HydrophobicContact CZ-CD2 3.75Å; F541-L614 HydrophobicContact CZ-CG 3.99Å; I549-L614 HydrophobicContact CD1-CB 4.45Å; M610-L614 HydrophobicContact CB-CB 3.99Å; M610-L614 HydrophobicContact CB-CD1 3.73Å; M610-L614 HydrophobicContact CB-CG 3.72Å; M610-L614 HydrophobicContact CE-CD1 4.06Å; M610-L614 HydrophobicContact CG-CB 4.44Å; M610-L614 HydrophobicContact CG-CD1 3.4Å; M610-L614 HydrophobicContact CG-CG 3.63Å; M610-L614 CarbonylContact O-C 3.3Å; M610-L614 WeakPolarHBondContact O-CA 3.49Å; M610-L614 WeakPolarHBondContact O-CB 3.38Å; M610-L614 PolarHBondContact O-N 3.3Å; M610-L614 HydrophobicContact SD-CD1 3.63Å; L614-E617 VanDerWaalsContact CD2-C 3.41Å |
| 615 | K | 33.5 | Very low | 38.5 | Very low | 51 Ų | 51 | 68.1 Ų | 68.1 | 22% | 0.222 | 35% | 0.352 | C | S | . | . | S | Bend | -78.2 | -42 | 94.6 | -59.6 | -170.8 | 175.6 | 179.9 | 0 | 114.7 | S540 F541 E617 | S540-K615 CarbonylContact C-O 3.51Å; S540-K615 WeakPolarHBondContact CA-O 3.3Å; S540-K615 WeakPolarHBondContact OG-CB 3.27Å; F541-K615 HydrophobicContact CB-CB 4.25Å; F541-K615 HydrophobicContact CB-CG 4.17Å; F541-K615 WeakPolarHBondContact CD2-O 3.44Å; F541-K615 VanDerWaalsContact N-C 3.34Å; F541-K615 VanDerWaalsContact N-CA 3.31Å; F541-K615 PolarHBondContact N-O 2.73Å; F541-K615 WeakPolarHBondContact O-CD 3.41Å; K615-E617 PolarHBondContact O-N 3.24Å | |
| 616 | F | 30.7 | Very low | 36.8 | Very low | 64 Ų | 64 | 70.1 Ų | 70.1 | 28% | 0.281 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -91.2 | 94.4 | -164.1 | -50 | -115.5 | 0 | 0 | 0 | 117.3 | Y538 K539 S540 L613 | Y538-F616 HydrophobicContact CD1-CB 3.49Å; Y538-F616 VanDerWaalsContact CD1-CB 3.49Å; Y538-F616 WeakPolarHBondContact CD1-O 3.32Å; Y538-F616 HydrophobicContact CE1-CB 4.06Å; Y538-F616 WeakPolarHBondContact CE1-O 3.39Å; K539-F616 WeakPolarHBondContact O-CA 3.34Å; K539-F616 WeakPolarHBondContact O-CB 3.28Å; K539-F616 WeakPolarHBondContact O-CD1 3.15Å; K539-F616 WeakPolarHBondContact O-CG 3.4Å; S540-F616 WeakPolarHBondContact OG-CE1 3.42Å; S540-F616 WeakPolarHBondContact OG-CE2 3.43Å; S540-F616 WeakPolarHBondContact OG-CZ 3.1Å; L613-F616 HydrophobicContact CD2-CB 3.98Å; L613-F616 HydrophobicContact CD2-CD2 3.82Å; L613-F616 HydrophobicContact CD2-CG 3.99Å; L613-F616 CarbonylContact O-C 3.28Å; L613-F616 WeakPolarHBondContact O-CA 3.49Å; L613-F616 PolarHBondContact O-N 2.91Å |
| 617 | E | 23.2 | Very low | 34.6 | Very low | 25 Ų | 25 | 70.3 Ų | 70.3 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | trans | 41.2 | 101.9 | 174.3 | -70.9 | -173.6 | 104.9 | 0 | 0 | 115.2 | L537 Y538 K539 L614 K615 S619 R2603 | L537-E617 VanDerWaalsContact C-OE2 3.25Å; L537-E617 WeakPolarHBondContact CA-OE2 3.37Å; L537-E617 HydrophobicContact CB-CB 3.76Å; L537-E617 HydrophobicContact CB-CG 4.02Å; L537-E617 HydrophobicContact CD2-CB 3.84Å; L537-E617 HydrophobicContact CD2-CG 4Å; L537-E617 VanDerWaalsContact CD2-OE1 3.26Å; L537-E617 WeakPolarHBondContact CD2-OE1 3.45Å; L537-E617 HydrophobicContact CG-CB 4.39Å; L537-E617 HydrophobicContact CG-CG 4.42Å; L537-E617 WeakPolarHBondContact CG-OE1 3.42Å; Y538-E617 VanDerWaalsContact C-CG 3.46Å; Y538-E617 VanDerWaalsContact CA-CB 3.43Å; Y538-E617 VanDerWaalsContact N-CD 3.3Å; Y538-E617 PolarHBondContact N-OE2 3.06Å; K539-E617 VanDerWaalsContact CB-CA 3.5Å; K539-E617 HydrophobicContact CB-CB 3.73Å; K539-E617 HydrophobicContact CB-CG 3.21Å; K539-E617 HydrophobicContact CD-CG 4.13Å; K539-E617 VanDerWaalsContact CE-CG 3.44Å; K539-E617 HydrophobicContact CG-CG 3.65Å; K539-E617 VanDerWaalsContact N-CB 3.29Å; L614-E617 VanDerWaalsContact CD2-C 3.41Å; K615-E617 PolarHBondContact O-N 3.24Å; E617-S619 PolarHBondContact O-N 2.7Å; E617-R2603 IonicContact OE1-CZ 2.79Å; E617-R2603 IonicContact OE1-NH2 3.51Å; E617-R2603 PolarHBondContact OE1-NH2 3.01Å; E617-R2603 IonicContact OE2-CZ 3.46Å; E617-R2603 IonicContact OE2-NE 3.77Å; E617-R2603 PolarHBondContact OE2-NE 2.94Å; E617-R2603 IonicContact OE2-NH2 3.32Å; E617-R2603 PolarHBondContact OE2-NH2 3.15Å | ||
| 618 | S | 24.4 | Very low | 32.6 | Very low | 44 Ų | 44 | 75.2 Ų | 75.2 | 31% | 0.308 | 39% | 0.385 | S | S | . | . | S | Bend | 46.2 | 5.9 | 93.6 | -53.7 | 0 | 0 | 0 | 0 | 120.8 | K539 F541 | K539-S618 WeakPolarHBondContact CE-OG 3.14Å; K539-S618 PolarHBondContact NZ-OG 2.94Å; F541-S618 VanDerWaalsContact CE2-OG 3.22Å; F541-S618 WeakPolarHBondContact CE2-OG 3.3Å | |
| 619 | S | 24.7 | Very low | 31 | Very low | 63 Ų | 63 | 75.6 Ų | 75.6 | 44% | 0.441 | 40% | 0.396 | S | S | . | . | trans | 157.5 | 103.9 | 154.3 | -76.2 | 0 | 0 | 0 | 0 | 111.8 | K323 L537 E617 | K323-S619 WeakPolarHBondContact CD-O 3.34Å; K323-S619 WeakPolarHBondContact CE-O 3.36Å; K323-S619 PolarHBondContact NZ-O 2.86Å; L537-S619 WeakPolarHBondContact CB-O 3.35Å; E617-S619 PolarHBondContact O-N 2.7Å | ||
| 620 | Q | 20.4 | Very low | 29.1 | Very low | 32 Ų | 32 | 77.3 Ų | 77.3 | 15% | 0.15 | 41% | 0.407 | C | S | . | . | trans | -117.8 | 151 | 137.2 | -152 | 133.2 | 7.9 | 0 | 0 | 105.1 | R319 L322 E326 Y538 S2605 | R319-Q620 PolarHBondContact O-OE1 3.27Å; L322-Q620 PolarHBondContact O-NE2 3.44Å; E326-Q620 PolarHBondContact OE1-NE2 2.78Å; Y538-Q620 HydrophobicContact CE2-CB 4.26Å; Q620-S2605 PolarHBondContact NE2-OG 3.18Å | ||
| 621 | N | 25.6 | Very low | 27.4 | Very low | 87 Ų | 87 | 77.1 Ų | 77.1 | 47% | 0.465 | 41% | 0.41 | S | S | . | . | cis | -155.1 | 156.5 | 28.3 | -20 | -115.7 | 0 | 0 | 0 | 108.1 | ||||
| 622 | E | 25.1 | Very low | 26.3 | Very low | 59 Ų | 59 | 78.1 Ų | 78.1 | 28% | 0.276 | 41% | 0.41 | S | S | . | . | trans | -156 | 88.7 | 156.3 | -150.6 | 178.1 | -89.5 | 0 | 0 | 113.3 | E326 L327 E330 E533 | E326-E622 CarbonylContact C-O 3.36Å; E326-E622 WeakPolarHBondContact CA-O 3.16Å; E326-E622 WeakPolarHBondContact CB-O 3.3Å; E326-E622 VanDerWaalsContact CG-C 3.44Å; E326-E622 WeakPolarHBondContact CG-O 3.45Å; E326-E622 VanDerWaalsContact OE2-C 3.24Å; E326-E622 PolarHBondContact OE2-N 3.49Å; L327-E622 HydrophobicContact CD2-CB 3.76Å; E330-E622 WeakPolarHBondContact CB-OE1 3.44Å; E330-E622 WeakPolarHBondContact CB-OE2 3.14Å; E330-E622 PolarHBondContact N-OE2 3.1Å; E533-E622 HydrophobicContact CB-CB 3.99Å; E533-E622 HydrophobicContact CB-CG 4.28Å; E533-E622 WeakPolarHBondContact CB-OE2 3.43Å; E533-E622 HydrophobicContact CG-CB 3.89Å; E533-E622 HydrophobicContact CG-CG 3.84Å; E533-E622 WeakPolarHBondContact CG-O 3.45Å; E533-E622 VanDerWaalsContact CG-OE2 3.24Å; E533-E622 WeakPolarHBondContact CG-OE2 3.14Å | ||
| 623 | L | 25.7 | Very low | 25.3 | Very low | 120 Ų | 120 | 79 Ų | 79 | 63% | 0.628 | 42% | 0.419 | S | S | * | . | 21.5 | 122.4 | 125.6 | -59.2 | 154.3 | 0 | 0 | 0 | 117.8 | E326 E533 | E326-L623 PolarHBondContact OE2-N 2.77Å; E533-L623 VanDerWaalsContact CG-O 3.25Å; E533-L623 WeakPolarHBondContact CG-O 3.28Å; E533-L623 VanDerWaalsContact OE1-C 3.24Å | |||
| 624 | N | 27.2 | Very low | 24.7 | Very low | 119 Ų | 119 | 81.4 Ų | 81.4 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | 170.4 | -146.9 | 117.2 | -76.3 | -50.2 | 0 | 0 | 0 | 113.4 | E533 | E533-N624 VanDerWaalsContact OE1-CB 3.25Å; E533-N624 WeakPolarHBondContact OE1-CB 3.29Å; E533-N624 PolarHBondContact OE1-N 2.68Å; E533-N624 VanDerWaalsContact OE1-N 3.15Å | |||
| 625 | S | 27.5 | Very low | 23.7 | Very low | 42 Ų | 42 | 88.3 Ų | 88.3 | 29% | 0.294 | 46% | 0.461 | S | S | . | . | trans | -30.3 | 127.2 | -174.9 | -29.3 | 0 | 0 | 0 | 0 | 113.9 | F325 Q329 | F325-S625 WeakPolarHBondContact CE1-O 3.29Å; F325-S625 VanDerWaalsContact CZ-O 3.26Å; F325-S625 WeakPolarHBondContact CZ-O 2.83Å; Q329-S625 PolarHBondContact OE1-OG 3.04Å | ||
| 626 | R | 23.7 | Very low | 23.2 | Very low | 136 Ų | 136 | 91.7 Ų | 91.7 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | S | Bend | cis | 47.2 | 101.7 | 30.7 | -162.9 | 175.2 | -152.9 | 92 | 12.9 | 115.8 | ||
| 627 | N | 21.3 | Very low | 22.8 | Very low | 114 Ų | 114 | 92.5 Ų | 92.5 | 61% | 0.61 | 49% | 0.488 | S | S | * | . | S | Bend | trans | 65.1 | 168.8 | 178.9 | -47.3 | -4.9 | 0 | 0 | 0 | 113.1 | I629 | N627-I629 PolarHBondContact O-N 2.73Š|
| 628 | N | 19.3 | Very low | 22.9 | Very low | 117 Ų | 117 | 93.9 Ų | 93.9 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | trans | 39.4 | 84.1 | 145.3 | -55 | -1.1 | 0 | 0 | 0 | 114.3 | T630 | N628-T630 WeakPolarHBondContact CA-OG1 2.84Å; N628-T630 PolarHBondContact N-OG1 3.1Å | ||
| 629 | I | 17.5 | Very low | 22.8 | Very low | 151 Ų | 151 | 96.2 Ų | 96.2 | 77% | 0.774 | 51% | 0.508 | S | S | * | . | -152.1 | 114.6 | 59.9 | -93 | 157.3 | 0 | 0 | 0 | 107.4 | N627 | N627-I629 PolarHBondContact O-N 2.73Š| |||
| 630 | T | 16.1 | Very low | 22.7 | Very low | 94 Ų | 94 | 95.4 Ų | 95.4 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | cis | 59.1 | 147.4 | 29 | -32.6 | 0 | 0 | 0 | 0 | 112 | N628 | N628-T630 WeakPolarHBondContact CA-OG1 2.84Å; N628-T630 PolarHBondContact N-OG1 3.1Å | ||
| 631 | T | 17.9 | Very low | 22.8 | Very low | 75 Ų | 75 | 97.9 Ų | 97.9 | 46% | 0.46 | 52% | 0.518 | S | S | . | . | trans | 68.2 | 143.5 | 175.6 | 75.7 | 0 | 0 | 0 | 0 | 115.9 | T448 S449 | T448-T631 CarbonylContact C-O 3.19Å; T448-T631 CarbonylContact O-C 3.48Å; S449-T631 PolarHBondContact N-O 3.28Å; S449-T631 VanDerWaalsContact N-O 3.09Å | ||
| 632 | N | 21.4 | Very low | 22.5 | Very low | 62 Ų | 62 | 98.7 Ų | 98.7 | 33% | 0.332 | 52% | 0.522 | S | S | . | . | cis | -152.5 | 142.7 | -18.2 | -125.8 | 45.4 | 0 | 0 | 0 | 107.7 | T448 S449 S450 D451 I452 V634 | T448-N632 CarbonylContact O-C 3.31Å; T448-N632 PolarHBondContact O-N 3.18Å; S449-N632 CarbonylContact C-O 3.58Å; S450-N632 VanDerWaalsContact O-CB 3.25Å; S450-N632 WeakPolarHBondContact O-CB 3.43Å; D451-N632 PolarHBondContact O-ND2 3.37Å; I452-N632 PolarHBondContact O-ND2 2.84Å; N632-V634 PolarHBondContact O-N 2.84Å | ||
| 633 | N | 21.3 | Very low | 22.2 | Very low | 133 Ų | 133 | 98.9 Ų | 98.9 | 71% | 0.711 | 53% | 0.528 | S | S | * | . | trans | -71.6 | 136 | -169.1 | -161.5 | 18.3 | 0 | 0 | 0 | 113.2 | Y635 | N633-Y635 PolarHBondContact O-N 2.89Š| ||
| 634 | V | 28.9 | Very low | 21.9 | Very low | 98 Ų | 98 | 97.9 Ų | 97.9 | 59% | 0.594 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -44.3 | 123.2 | 152.8 | 170 | 0 | 0 | 0 | 0 | 108.6 | N632 | N632-V634 PolarHBondContact O-N 2.84Š|
| 635 | Y | 21.6 | Very low | 21.6 | Very low | 169 Ų | 169 | 94.3 Ų | 94.3 | 66% | 0.663 | 50% | 0.503 | S | S | * | . | cis | -167.7 | 157.8 | -6.7 | -133.9 | -81.7 | 0 | 0 | 0 | 106.6 | I452 N633 | I452-Y635 HydrophobicContact CD1-CD1 3.63Å; I452-Y635 HydrophobicContact CD1-CE1 3.8Å; N633-Y635 PolarHBondContact O-N 2.89Å | ||
| 636 | L | 23.3 | Very low | 21.2 | Very low | 122 Ų | 122 | 92.5 Ų | 92.5 | 64% | 0.639 | 49% | 0.491 | S | S | * | . | trans | 70 | 100.5 | 170.7 | -50.6 | 176.8 | 0 | 0 | 0 | 117.1 | I452 | I452-L636 HydrophobicContact CD1-CD2 4.41Š| ||
| 637 | N | 23.3 | Very low | 21.1 | Very low | 80 Ų | 80 | 88.8 Ų | 88.8 | 43% | 0.428 | 49% | 0.485 | S | S | . | . | 77.4 | 95.5 | 83.7 | -81 | -51 | 0 | 0 | 0 | 114.8 | I452 V453 | I452-N637 HydrophobicContact CG2-CB 4.26Å; V453-N637 CarbonylContact O-C 3.57Å; V453-N637 WeakPolarHBondContact O-CA 3.04Å; V453-N637 PolarHBondContact O-N 3.46Å | |||
| 638 | S | 24.5 | Very low | 21.1 | Very low | 55 Ų | 55 | 88.4 Ų | 88.4 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | B | Isolated β-bridge | -167 | 114.9 | 128.8 | 32.3 | 0 | 0 | 0 | 0 | 116.8 | V453 L454 L455 | V453-S638 PolarHBondContact O-N 3.07Å; V453-S638 VanDerWaalsContact O-N 3.09Å; L454-S638 WeakPolarHBondContact CB-O 3.03Å; L455-S638 WeakPolarHBondContact CD1-OG 3.45Å | |
| 639 | I | 22.2 | Very low | 21.1 | Very low | 92 Ų | 92 | 89.2 Ų | 89.2 | 47% | 0.472 | 48% | 0.483 | S | S | . | . | trans | 65.8 | 92.8 | 146 | -58.1 | -179.8 | 0 | 0 | 0 | 118.5 | ||||
| 640 | V | 22.9 | Very low | 21.7 | Very low | 46 Ų | 46 | 84.3 Ų | 84.3 | 28% | 0.279 | 47% | 0.465 | S | S | . | . | trans | 42 | 83.9 | 133.5 | -171.2 | 0 | 0 | 0 | 0 | 115.4 | S355 | S355-V640 WeakPolarHBondContact O-CG2 3.25Š| ||
| 641 | T | 21.3 | Very low | 22.2 | Very low | 85 Ų | 85 | 82.8 Ų | 82.8 | 52% | 0.521 | 45% | 0.45 | S | S | . | . | 78.3 | -165.3 | 95 | 71.5 | 0 | 0 | 0 | 0 | 114.2 | L454 | L454-T641 HydrophobicContact CD1-CG2 4.19Š| |||
| 642 | L | 19.7 | Very low | 22.8 | Very low | 104 Ų | 104 | 86.3 Ų | 86.3 | 55% | 0.545 | 46% | 0.461 | S | S | . | . | trans | 38.4 | 122.6 | 145 | -69.4 | 169.9 | 0 | 0 | 0 | 119 | H358 | H358-L642 PolarHBondContact N-O 3.47Š| ||
| 643 | P | 19.4 | Very low | 22.8 | Very low | 63 Ų | 63 | 85.9 Ų | 85.9 | 41% | 0.409 | 47% | 0.467 | S | S | . | . | cis | -145.1 | -151.5 | -27.6 | 26 | 0.7 | 0 | 0 | 0 | 111.3 | Q359 I360 | Q359-P643 VanDerWaalsContact C-CG 3.42Å; Q359-P643 WeakPolarHBondContact O-CD 3.42Å; I360-P643 HydrophobicContact CB-CG 4.41Å; I360-P643 HydrophobicContact CG1-CG 4.35Å; I360-P643 HydrophobicContact CG2-CG 4.45Å; I360-P643 VanDerWaalsContact N-CD 3.34Å | ||
| 644 | K | 19.7 | Very low | 22.8 | Very low | 99 Ų | 99 | 87.5 Ų | 87.5 | 43% | 0.43 | 48% | 0.475 | S | S | . | . | trans | -17.2 | 158.8 | 139.8 | -72.3 | 176 | 166 | -159.2 | 0 | 116.8 | I360 H361 D362 | I360-K644 WeakPolarHBondContact CA-O 3.43Å; I360-K644 HydrophobicContact CG2-CB 4.22Å; I360-K644 HydrophobicContact CG2-CD 3.71Å; I360-K644 PolarHBondContact N-O 3.12Å; H361-K644 WeakPolarHBondContact O-CD 2.84Å; H361-K644 PolarHBondContact O-NZ 2.96Å; D362-K644 WeakPolarHBondContact O-CD 2.96Å; D362-K644 WeakPolarHBondContact O-CE 3.47Å; D362-K644 PolarHBondContact O-NZ 2.55Å | ||
| 645 | S | 20.4 | Very low | 22.3 | Very low | 43 Ų | 43 | 88.1 Ų | 88.1 | 30% | 0.301 | 48% | 0.481 | S | S | . | . | S | Bend | cis | -178.1 | -74.1 | -24.6 | 49.1 | 0 | 0 | 0 | 0 | 106.2 | D362 C423 | D362-S645 PolarHBondContact N-OG 2.73Å; C423-S645 CarbonylContact O-C 3.42Å; C423-S645 VanDerWaalsContact O-C 3.26Å; C423-S645 WeakPolarHBondContact O-CB 3.46Å |
| 646 | S | 19.4 | Very low | 22.2 | Very low | 5 Ų | 5 | 84.1 Ų | 84.1 | 4% | 0.035 | 48% | 0.478 | C | S | . | . | trans | -75.2 | -159.5 | 142.4 | 70.1 | 0 | 0 | 0 | 0 | 108.6 | I360 H361 D362 | I360-S646 CarbonylContact C-O 2.82Å; I360-S646 CarbonylContact O-C 3.55Å; H361-S646 WeakPolarHBondContact CB-OG 2.99Å; H361-S646 VanDerWaalsContact N-C 3.34Å; H361-S646 PolarHBondContact N-O 2.82Å; H361-S646 PolarHBondContact N-OG 2.6Å; D362-S646 VanDerWaalsContact CB-OG 3.27Å; D362-S646 WeakPolarHBondContact CB-OG 3.32Å; D362-S646 VanDerWaalsContact CG-OG 3.28Å; D362-S646 PolarHBondContact N-OG 2.73Å; D362-S646 WeakPolarHBondContact OD2-CB 3.3Å; D362-S646 PolarHBondContact OD2-OG 3.1Å | ||
| 647 | S | 21.7 | Very low | 22.4 | Very low | 57 Ų | 57 | 86.9 Ų | 86.9 | 40% | 0.399 | 49% | 0.485 | S | S | . | . | 33.6 | 105.4 | -60.1 | -47.1 | 0 | 0 | 0 | 0 | 117.1 | I360 | I360-S647 PolarHBondContact O-N 2.97Å; I360-S647 PolarHBondContact O-OG 2.76Å | |||
| 648 | D | 20.4 | Very low | 22.2 | Very low | 107 Ų | 107 | 88 Ų | 88 | 57% | 0.572 | 50% | 0.499 | S | S | * | . | 40.2 | -157 | 116.2 | -60.9 | -77.5 | 0 | 0 | 0 | 119.4 | L424 | L424-D648 WeakPolarHBondContact CD2-O 3.14Š| |||
| 649 | E | 19.5 | Very low | 22.1 | Very low | 134 Ų | 134 | 91.2 Ų | 91.2 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | trans | 70 | 78.4 | 140.2 | -77.7 | 167.5 | -167.5 | 0 | 0 | 119.1 | N426 | N426-E649 PolarHBondContact ND2-O 3.04Š| ||
| 650 | A | 31.5 | Very low | 22.4 | Very low | 47 Ų | 47 | 94.1 Ų | 94.1 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | 86.7 | 48.6 | 105.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | H652 | A650-H652 VanDerWaalsContact C-ND1 3.31Å; A650-H652 PolarHBondContact O-CE1 3.48Å; A650-H652 PolarHBondContact O-ND1 2.91Å | |||
| 651 | K | 26.6 | Very low | 22.5 | Very low | 62 Ų | 62 | 96.7 Ų | 96.7 | 27% | 0.27 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -133.2 | 37.9 | 158.2 | -65.1 | -71.7 | 172.2 | 50.6 | 0 | 117.6 | N426 K427 L428 | N426-K651 WeakPolarHBondContact OD1-CE 3.3Å; N426-K651 WeakPolarHBondContact OD1-CG 3.42Å; N426-K651 PolarHBondContact OD1-NZ 2.95Å; K427-K651 HydrophobicContact CB-CG 4.18Å; K427-K651 HydrophobicContact CD-CB 3.48Å; K427-K651 VanDerWaalsContact CD-CB 3.48Å; K427-K651 HydrophobicContact CD-CD 3.97Å; K427-K651 HydrophobicContact CD-CG 3.69Å; K427-K651 PolarHBondContact NZ-O 3.31Å; K427-K651 PolarHBondContact O-NZ 2.73Å; L428-K651 HydrophobicContact CD1-CD 4.34Å; L428-K651 HydrophobicContact CG-CD 4.48Å |
| 652 | H | 29.3 | Very low | 23.4 | Very low | 149 Ų | 149 | 96.7 Ų | 96.7 | 69% | 0.69 | 54% | 0.542 | S | S | * | . | cis | -155.2 | 142.3 | 5.4 | -69.6 | -88.8 | 0 | 0 | 0 | 110.2 | A650 | A650-H652 VanDerWaalsContact C-ND1 3.31Å; A650-H652 PolarHBondContact O-CE1 3.48Å; A650-H652 PolarHBondContact O-ND1 2.91Å | ||
| 653 | A | 22.8 | Very low | 23.6 | Very low | 54 Ų | 54 | 97 Ų | 97 | 45% | 0.446 | 54% | 0.539 | S | S | . | . | trans | 38.5 | 84.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | P655 S656 | A653-P655 CarbonylContact O-C 3.47Å; A653-P655 WeakPolarHBondContact O-CA 3.27Å; A653-S656 PolarHBondContact O-N 2.99Å | ||
| 654 | N | 19.7 | Very low | 23.8 | Very low | 166 Ų | 166 | 100.4 Ų | 100.4 | 89% | 0.888 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | -62.8 | 107.5 | 125.6 | -179.4 | 25.4 | 0 | 0 | 0 | 107.5 | |||
| 655 | P | 19.1 | Very low | 24 | Very low | 111 Ų | 111 | 101.3 Ų | 101.3 | 72% | 0.721 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -124.8 | 121.6 | -2.9 | 35.5 | -17.9 | 0 | 0 | 0 | 114.5 | A653 | A653-P655 CarbonylContact O-C 3.47Å; A653-P655 WeakPolarHBondContact O-CA 3.27Å |
| 656 | S | 20.4 | Very low | 24.4 | Very low | 85 Ų | 85 | 101.2 Ų | 101.2 | 59% | 0.594 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -157.4 | 114.8 | 160.4 | 167 | 0 | 0 | 0 | 0 | 112 | A653 | A653-S656 PolarHBondContact O-N 2.99Š|
| 657 | K | 27 | Very low | 24.8 | Very low | 181 Ų | 181 | 104.4 Ų | 104.4 | 79% | 0.787 | 56% | 0.56 | S | S | * | * | cis | -157 | 18.6 | 1.1 | -130.8 | 159 | -165.8 | 165.6 | 0 | 114.4 | N659 | K657-N659 WeakPolarHBondContact O-CB 3.3Š| ||
| 658 | S | 18.1 | Very low | 25 | Very low | 102 Ų | 102 | 104.3 Ų | 104.3 | 71% | 0.713 | 55% | 0.553 | S | S | * | * | trans | -101.7 | 115.2 | -179.3 | 42.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 659 | N | 23.7 | Very low | 25.2 | Very low | 123 Ų | 123 | 103 Ų | 103 | 66% | 0.658 | 54% | 0.543 | S | S | * | . | cis | 55.1 | 92.3 | 20.9 | -168.9 | -1.7 | 0 | 0 | 0 | 111.7 | K657 | K657-N659 WeakPolarHBondContact O-CB 3.3Š| ||
| 660 | K | 27.7 | Very low | 25.7 | Very low | 154 Ų | 154 | 98 Ų | 98 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | trans | 73.8 | 146.6 | -171.3 | -45.5 | 131.7 | -174.1 | 174.1 | 0 | 111.7 | ||||
| 661 | S | 24.7 | Very low | 25.7 | Very low | 100 Ų | 100 | 99.9 Ų | 99.9 | 70% | 0.699 | 52% | 0.52 | S | S | * | . | cis | 63.2 | 173.4 | 27.7 | 97 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 662 | P | 40.4 | Very low | 25.9 | Very low | 84 Ų | 84 | 100.4 Ų | 100.4 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | cis | -126 | 173.2 | -13.6 | 35.1 | -18.3 | 0 | 0 | 0 | 113.3 | ||||
| 663 | K | 24.4 | Very low | 26 | Very low | 111 Ų | 111 | 95.9 Ų | 95.9 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | trans | 74.9 | -179.3 | 172 | -42.2 | 138.6 | 166.7 | -158.1 | 0 | 113 | Y870 | K663-Y870 HydrophobicContact CB-CD1 3.89Å; K663-Y870 HydrophobicContact CB-CE1 3.78Å; K663-Y870 HydrophobicContact CG-CE1 4.08Å | ||
| 664 | Y | 24.1 | Very low | 26.2 | Very low | 134 Ų | 134 | 93.5 Ų | 93.5 | 53% | 0.525 | 48% | 0.484 | S | S | . | . | cis | -152.8 | 140.8 | 10.6 | -125.5 | -40.8 | 0 | 0 | 0 | 113.6 | Y870 T871 | Y664-Y870 HydrophobicContact CD1-CE1 4.11Å; Y664-T871 VanDerWaalsContact C-CB 3.47Å; Y664-T871 WeakPolarHBondContact CA-OG1 3.11Å; Y664-T871 PolarHBondContact N-OG1 2.87Å; Y664-T871 PolarHBondContact O-OG1 2.73Å; Y664-T871 VanDerWaalsContact O-OG1 3.08Å | ||
| 665 | F | 23.5 | Very low | 26.6 | Very low | 118 Ų | 118 | 87.8 Ų | 87.8 | 52% | 0.518 | 46% | 0.456 | S | S | . | . | trans | 75.7 | 100 | 164.5 | -68 | -70.6 | 0 | 0 | 0 | 122.8 | T871 G872 N873 | F665-T871 PolarHBondContact N-OG1 3Å; F665-T871 WeakPolarHBondContact O-CB 3.11Å; F665-G872 PolarHBondContact O-N 2.52Å; F665-N873 WeakPolarHBondContact CB-ND2 3.01Å; F665-N873 WeakPolarHBondContact CB-OD1 3.34Å; F665-N873 VanDerWaalsContact O-CG 3.23Å; F665-N873 PolarHBondContact O-N 2.73Å; F665-N873 PolarHBondContact O-OD1 3.5Å | ||
| 666 | S | 27.6 | Very low | 27.4 | Very low | 42 Ų | 42 | 84.2 Ų | 84.2 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | trans | 69.2 | 164.5 | 142.4 | -18.6 | 0 | 0 | 0 | 0 | 122 | F669 G872 N873 | S666-F669 WeakPolarHBondContact O-CD2 2.93Å; S666-F669 VanDerWaalsContact O-CE2 3.3Å; S666-F669 WeakPolarHBondContact O-CE2 2.87Å; S666-G872 PolarHBondContact O-N 2.7Å; S666-N873 WeakPolarHBondContact CB-OD1 3.4Å; S666-N873 PolarHBondContact O-N 3.1Å; S666-N873 PolarHBondContact OG-OD1 3.12Å | ||
| 667 | Y | 27.8 | Very low | 28.2 | Very low | 71 Ų | 71 | 80.2 Ų | 80.2 | 28% | 0.278 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 54.7 | 129.7 | 142.9 | -75.3 | -68.2 | 0 | 0 | 0 | 122 | F669 N875 D877 | Y667-F669 WeakPolarHBondContact O-CD2 3.48Å; Y667-F669 PolarHBondContact O-N 2.84Å; Y667-N875 VanDerWaalsContact CE2-N 3.34Å; Y667-N875 VanDerWaalsContact CE2-OD1 3.3Å; Y667-N875 WeakPolarHBondContact CE2-OD1 3.44Å; Y667-D877 PolarHBondContact OH-OD1 3.12Å |
| 668 | E | 26.4 | Very low | 28 | Very low | 55 Ų | 55 | 74.3 Ų | 74.3 | 26% | 0.257 | 38% | 0.376 | S | S | . | . | trans | 64.6 | 24.5 | 148.2 | -50.1 | -158.6 | 151 | 0 | 0 | 122.5 | N390 K391 E876 | N390-E668 PolarHBondContact ND2-O 2.85Å; K391-E668 IonicContact NZ-OE1 2.73Å; K391-E668 PolarHBondContact NZ-OE1 3.11Å; K391-E668 IonicContact NZ-OE2 3.27Å; K391-E668 PolarHBondContact NZ-OE2 2.7Å; E668-E876 PolarHBondContact OE1-N 2.8Å | ||
| 669 | F | 24.5 | Very low | 28.3 | Very low | 79 Ų | 79 | 74.6 Ų | 74.6 | 35% | 0.346 | 36% | 0.361 | S | S | . | . | trans | -104.8 | 71.5 | -160.9 | 45.5 | 66.6 | 0 | 0 | 0 | 121.3 | S666 Y667 R671 F887 | S666-F669 WeakPolarHBondContact O-CD2 2.93Å; S666-F669 VanDerWaalsContact O-CE2 3.3Å; S666-F669 WeakPolarHBondContact O-CE2 2.87Å; Y667-F669 WeakPolarHBondContact O-CD2 3.48Å; Y667-F669 PolarHBondContact O-N 2.84Å; F669-R671 VanDerWaalsContact O-CZ 3.26Å; F669-R671 PolarHBondContact O-NH1 2.68Å; F669-R671 VanDerWaalsContact O-NH1 3.11Å; F669-R671 PolarHBondContact O-NH2 3.42Å; F669-F887 HydrophobicContact CD1-CD1 4.2Å; F669-F887 HydrophobicContact CD1-CD2 4.16Å; F669-F887 AromaticContact CD1-CE1 3.85Å; F669-F887 HydrophobicContact CD1-CE1 3.85Å; F669-F887 AromaticContact CD1-CE2 3.81Å; F669-F887 HydrophobicContact CD1-CE2 3.81Å; F669-F887 HydrophobicContact CD1-CG 4.36Å; F669-F887 AromaticContact CD1-CZ 3.64Å; F669-F887 HydrophobicContact CD1-CZ 3.64Å; F669-F887 HydrophobicContact CD2-CZ 4.34Å; F669-F887 HydrophobicContact CE1-CD1 4.36Å; F669-F887 AromaticContact CE1-CD2 3.53Å; F669-F887 HydrophobicContact CE1-CD2 3.53Å; F669-F887 HydrophobicContact CE1-CE1 4.16Å; F669-F887 AromaticContact CE1-CE2 3.27Å; F669-F887 HydrophobicContact CE1-CE2 3.27Å; F669-F887 HydrophobicContact CE1-CG 4.08Å; F669-F887 AromaticContact CE1-CZ 3.63Å; F669-F887 HydrophobicContact CE1-CZ 3.63Å; F669-F887 HydrophobicContact CE2-CE2 4.19Å; F669-F887 HydrophobicContact CE2-CZ 4.31Å; F669-F887 HydrophobicContact CG-CE1 4.34Å; F669-F887 HydrophobicContact CG-CE2 4.47Å; F669-F887 HydrophobicContact CG-CZ 4.01Å; F669-F887 HydrophobicContact CZ-CD2 4.07Å; F669-F887 AromaticContact CZ-CE2 3.49Å; F669-F887 HydrophobicContact CZ-CE2 3.49Å; F669-F887 VanDerWaalsContact CZ-CE2 3.49Å; F669-F887 AromaticContact CZ-CZ 3.98Å; F669-F887 HydrophobicContact CZ-CZ 3.98Å; F669-F887 VanDerWaalsContact N-CE1 3.33Å | ||
| 670 | S | 29.9 | Very low | 28.4 | Very low | 29 Ų | 29 | 70.8 Ų | 70.8 | 20% | 0.203 | 34% | 0.34 | C | S | . | . | trans | -120.2 | -144.7 | -163.3 | -150.5 | 0 | 0 | 0 | 0 | 123.3 | F388 I389 | F388-S670 PolarHBondContact O-OG 2.72Å; I389-S670 VanDerWaalsContact CG2-CB 3.47Å; I389-S670 WeakPolarHBondContact O-CB 3.27Å; I389-S670 PolarHBondContact O-OG 2.6Å | ||
| 671 | R | 31.3 | Very low | 28.6 | Very low | 88 Ų | 88 | 68.1 Ų | 68.1 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | trans | -113.7 | -157.3 | -131.4 | -111.2 | 72.8 | -74.5 | 173.2 | 9.1 | 122.2 | I389 F669 R889 | I389-R671 PolarHBondContact O-N 2.82Å; F669-R671 VanDerWaalsContact O-CZ 3.26Å; F669-R671 PolarHBondContact O-NH1 2.68Å; F669-R671 VanDerWaalsContact O-NH1 3.11Å; F669-R671 PolarHBondContact O-NH2 3.42Å; R671-R889 HydrophobicContact CG-CG 4.02Å | ||
| 672 | Q | 32.4 | Very low | 28.9 | Very low | 73 Ų | 73 | 70.2 Ų | 70.2 | 34% | 0.341 | 32% | 0.318 | S | S | . | . | trans | -155.8 | 139.6 | -133.6 | -80.4 | -171.3 | -90.8 | 0 | 0 | 121.5 | V1685 | Q672-V1685 VanDerWaalsContact O-CG1 3.29Å; Q672-V1685 WeakPolarHBondContact O-CG1 3.45Å; Q672-V1685 WeakPolarHBondContact O-CG2 3.36Å | ||
| 673 | D | 31.1 | Very low | 28.3 | Very low | 54 Ų | 54 | 73.1 Ų | 73.1 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | trans | 82 | 168.5 | 137.5 | -67 | -56.3 | 0 | 0 | 0 | 127.4 | S684 L685 S845 P850 V1685 | D673-S684 WeakPolarHBondContact CB-OG 3.24Å; D673-L685 CarbonylContact C-O 3.3Å; D673-S845 PolarHBondContact O-OG 2.96Å; D673-P850 VanDerWaalsContact CA-CG 3.48Å; D673-P850 HydrophobicContact CB-CG 4.45Å; D673-V1685 WeakPolarHBondContact O-CG2 3.34Å | ||
| 674 | S | 26.3 | Very low | 28.9 | Very low | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | trans | -176.7 | 176.1 | 172.8 | 139 | 0 | 0 | 0 | 0 | 116.1 | S684 G844 S845 P850 L851 P852 | S674-S684 CarbonylContact C-O 3.52Å; S674-S684 VanDerWaalsContact C-O 3.29Å; S674-S684 WeakPolarHBondContact CA-O 3.35Å; S674-S684 PolarHBondContact N-O 2.77Å; S674-G844 WeakPolarHBondContact CB-O 3.39Å; S674-G844 VanDerWaalsContact OG-C 3.23Å; S674-G844 PolarHBondContact OG-O 2.95Å; S674-S845 WeakPolarHBondContact CB-OG 3.28Å; S674-P850 WeakPolarHBondContact CB-O 3.14Å; S674-P850 VanDerWaalsContact OG-C 3.22Å; S674-P850 PolarHBondContact OG-O 2.79Å; S674-P850 VanDerWaalsContact OG-O 3.07Å; S674-L851 PolarHBondContact OG-N 3.26Å; S674-L851 VanDerWaalsContact OG-N 3.1Å; S674-P852 VanDerWaalsContact CB-CD 3.44Å; S674-P852 WeakPolarHBondContact O-CD 3.38Å; S674-P852 WeakPolarHBondContact O-CG 3.21Å; S674-P852 WeakPolarHBondContact OG-CD 3.5Å | ||
| 675 | P | 29 | Very low | 28.9 | Very low | 47 Ų | 47 | 64.4 Ų | 64.4 | 31% | 0.305 | 29% | 0.293 | S | S | . | . | trans | -131.7 | 175.1 | -178 | 20.2 | 6.3 | 0 | 0 | 0 | 117 | P852 A856 | P675-P852 CarbonylContact C-O 3.56Å; P675-A856 HydrophobicContact CB-CB 4.44Å | ||
| 676 | H | 34.8 | Very low | 28.9 | Very low | 36 Ų | 36 | 59.6 Ų | 59.6 | 17% | 0.167 | 27% | 0.274 | C | S | . | . | cis | 179.4 | -174.4 | -32.6 | -98.6 | -1.4 | 0 | 0 | 0 | 112.6 | R682 P852 L853 K854 N855 A856 | H676-R682 PolarHBondContact CD2-O 2.8Å; H676-R682 VanDerWaalsContact CD2-O 3.24Å; H676-P852 VanDerWaalsContact CE1-CB 3.44Å; H676-P852 WeakPolarHBondContact CE1-CB 3.03Å; H676-P852 PolarHBondContact N-O 2.67Å; H676-P852 WeakPolarHBondContact ND1-CB 3.45Å; H676-L853 CarbonylContact C-O 2.95Å; H676-L853 WeakPolarHBondContact CA-O 3.43Å; H676-K854 CarbonylContact C-O 2.64Å; H676-K854 WeakPolarHBondContact CA-O 3.41Å; H676-K854 WeakPolarHBondContact CB-O 3.28Å; H676-K854 PolarHBondContact CD2-O 2.75Å; H676-K854 VanDerWaalsContact CD2-O 3.3Å; H676-K854 PolarHBondContact ND1-O 2.78Å; H676-N855 PolarHBondContact CD2-O 2.7Å; H676-A856 HydrophobicContact CB-CB 3.09Å | ||
| 677 | Q | 37 | Very low | 28.7 | Very low | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -128.1 | 102.9 | -156.4 | 165.1 | -166 | -69 | 0 | 0 | 115.5 | R679 L853 K854 N855 R1918 Q1919 E1922 | Q677-R679 VanDerWaalsContact O-O 3.05Å; Q677-L853 WeakPolarHBondContact CB-O 3.31Å; Q677-L853 PolarHBondContact N-O 3.14Å; Q677-K854 WeakPolarHBondContact CB-O 3.41Å; Q677-K854 PolarHBondContact N-O 2.75Å; Q677-N855 PolarHBondContact NE2-OD1 3.46Å; Q677-N855 VanDerWaalsContact O-CA 3.29Å; Q677-N855 WeakPolarHBondContact O-CA 3.39Å; Q677-R1918 HydrophobicContact CG-CG 3.91Å; Q677-Q1919 HydrophobicContact CB-CG 3.67Å; Q677-Q1919 HydrophobicContact CG-CG 4.02Å; Q677-E1922 VanDerWaalsContact CA-OE2 3.28Å; Q677-E1922 WeakPolarHBondContact CA-OE2 3.42Å; Q677-E1922 WeakPolarHBondContact CB-OE2 3.36Å; Q677-E1922 WeakPolarHBondContact CG-OE2 3.46Å | ||
| 678 | K | 23.7 | Very low | 28.8 | Very low | 57 Ų | 57 | 59.9 Ų | 59.9 | 25% | 0.248 | 27% | 0.274 | C | S | . | . | S | Bend | trans | 53.2 | -168.3 | -174.2 | -135.9 | 166.7 | -135.5 | 65.1 | 0 | 110.5 | A856 S857 R1921 E1922 H1925 | K678-A856 CarbonylContact O-C 2.53Å; K678-A856 WeakPolarHBondContact O-CA 3.16Å; K678-A856 PolarHBondContact O-N 3.41Å; K678-S857 PolarHBondContact O-N 2.77Å; K678-R1921 PolarHBondContact NZ-O 2.93Å; K678-E1922 HydrophobicContact CB-CB 4.27Å; K678-E1922 HydrophobicContact CB-CG 3.44Å; K678-E1922 VanDerWaalsContact CB-CG 3.44Å; K678-E1922 VanDerWaalsContact CB-OE1 3.24Å; K678-E1922 WeakPolarHBondContact CB-OE1 3.04Å; K678-E1922 HydrophobicContact CD-CG 4.03Å; K678-E1922 WeakPolarHBondContact CD-OE1 3.4Å; K678-E1922 WeakPolarHBondContact CE-OE1 3.49Å; K678-E1922 HydrophobicContact CG-CG 3.57Å; K678-E1922 WeakPolarHBondContact CG-OE1 3.35Å; K678-E1922 VanDerWaalsContact N-CB 3.27Å; K678-E1922 VanDerWaalsContact N-CD 3.3Å; K678-E1922 PolarHBondContact N-OE2 3.2Å; K678-E1922 IonicContact NZ-OE1 2.72Å; K678-E1922 PolarHBondContact NZ-OE1 3.28Å; K678-H1925 WeakPolarHBondContact CE-CD2 3.12Å; K678-H1925 HydrophobicContact CG-CB 4.38Å |
| 679 | R | 23.6 | Very low | 29.4 | Very low | 108 Ų | 108 | 62.2 Ų | 62.2 | 41% | 0.408 | 29% | 0.288 | S | S | . | . | S | Bend | 13.1 | 122.1 | 125.7 | -151.3 | -170.8 | -179.7 | 118.2 | 1.1 | 116.2 | Q677 N855 A856 S857 | Q677-R679 VanDerWaalsContact O-O 3.05Å; R679-N855 WeakPolarHBondContact O-CB 3.36Å; R679-N855 PolarHBondContact O-ND2 2.79Å; R679-A856 PolarHBondContact O-N 3.38Å; R679-S857 VanDerWaalsContact C-N 3.28Å; R679-S857 VanDerWaalsContact CA-CB 3.45Å; R679-S857 VanDerWaalsContact CA-OG 3.25Å; R679-S857 WeakPolarHBondContact CA-OG 2.88Å | |
| 680 | E | 26.4 | Very low | 29.6 | Very low | 43 Ų | 43 | 63.7 Ų | 63.7 | 20% | 0.201 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 101.1 | 47.8 | 156.1 | -78.7 | 140.2 | -155.7 | 0 | 0 | 124 | N855 S857 | E680-N855 CarbonylContact C-O 3.07Å; E680-N855 HydrophobicContact CB-CB 3.48Å; E680-N855 VanDerWaalsContact CB-CB 3.48Å; E680-N855 WeakPolarHBondContact CB-ND2 3.13Å; E680-N855 CarbonylContact O-C 3.26Å; E680-N855 VanDerWaalsContact O-CB 3.31Å; E680-N855 WeakPolarHBondContact O-CB 3.43Å; E680-N855 PolarHBondContact OE2-ND2 2.8Å; E680-S857 PolarHBondContact N-OG 2.73Å; E680-S857 VanDerWaalsContact N-OG 3.09Å |
| 681 | R | 31.5 | Very low | 29.4 | Very low | 98 Ų | 98 | 65.1 Ų | 65.1 | 37% | 0.37 | 30% | 0.303 | S | S | . | . | 67.3 | 57.4 | 126.2 | -52.8 | 146.4 | -174.8 | 146.4 | -2.1 | 118.6 | N855 A856 S857 Q858 | R681-N855 PolarHBondContact N-O 2.74Å; R681-A856 VanDerWaalsContact N-CA 3.3Å; R681-S857 WeakPolarHBondContact CA-O 3.14Å; R681-S857 WeakPolarHBondContact CG-O 3.4Å; R681-S857 PolarHBondContact N-O 2.78Å; R681-Q858 VanDerWaalsContact CA-O 3.27Å; R681-Q858 WeakPolarHBondContact CA-O 3.31Å; R681-Q858 WeakPolarHBondContact CB-O 3.33Å; R681-Q858 HydrophobicContact CG-CB 3.92Å; R681-Q858 VanDerWaalsContact CG-O 3.29Å; R681-Q858 WeakPolarHBondContact CG-O 3.47Å | |||
| 682 | R | 31.7 | Very low | 29.2 | Very low | 145 Ų | 145 | 65 Ų | 65 | 55% | 0.547 | 31% | 0.309 | S | S | . | . | trans | -141.2 | 118.5 | 152.6 | -68.6 | 92 | -136.4 | -82.5 | 1.3 | 109 | H676 N855 A856 | H676-R682 PolarHBondContact CD2-O 2.8Å; H676-R682 VanDerWaalsContact CD2-O 3.24Å; R682-N855 PolarHBondContact N-O 3.47Å; R682-A856 WeakPolarHBondContact O-CB 3.31Å | ||
| 683 | F | 27.8 | Very low | 29.1 | Very low | 145 Ų | 145 | 69 Ų | 69 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | 72.3 | 134.8 | 69.7 | -79.1 | -66.5 | 0 | 0 | 0 | 114 | |||||
| 684 | S | 35.8 | Very low | 29 | Very low | 39 Ų | 39 | 67.1 Ų | 67.1 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | trans | 53.3 | 98 | -174.9 | 35.2 | 0 | 0 | 0 | 0 | 113.6 | D673 S674 | D673-S684 WeakPolarHBondContact CB-OG 3.24Å; S674-S684 CarbonylContact C-O 3.52Å; S674-S684 VanDerWaalsContact C-O 3.29Å; S674-S684 WeakPolarHBondContact CA-O 3.35Å; S674-S684 PolarHBondContact N-O 2.77Å | ||
| 685 | L | 24.2 | Very low | 29 | Very low | 23 Ų | 23 | 70.4 Ų | 70.4 | 12% | 0.12 | 33% | 0.331 | C | S | . | . | 56.6 | 137.2 | 81.7 | -92.8 | 164.9 | 0 | 0 | 0 | 114.1 | N384 D385 D673 V891 | N384-L685 VanDerWaalsContact O-CD2 3.29Å; N384-L685 WeakPolarHBondContact O-CD2 3.48Å; D385-L685 VanDerWaalsContact O-CD1 3.32Å; D385-L685 WeakPolarHBondContact O-CD1 3.39Å; D385-L685 WeakPolarHBondContact O-CD2 2.93Å; D673-L685 CarbonylContact C-O 3.3Å; L685-V891 HydrophobicContact CD1-CG2 3.33Å; L685-V891 HydrophobicContact CG-CG2 4.13Å | |||
| 686 | P | 25.1 | Very low | 28.7 | Very low | 17 Ų | 17 | 72.5 Ų | 72.5 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | cis | -99.8 | -79.5 | 0.5 | -13.8 | 35.2 | 0 | 0 | 0 | 118.3 | H386 S845 G846 V847 V1685 | H386-P686 HydrophobicContact CB-CB 3.91Å; H386-P686 HydrophobicContact CB-CG 3.31Å; P686-S845 WeakPolarHBondContact CD-OG 3.43Å; P686-G846 WeakPolarHBondContact CD-O 3.16Å; P686-G846 WeakPolarHBondContact CG-O 3.45Å; P686-V847 HydrophobicContact CG-CG2 4.17Å; P686-V1685 VanDerWaalsContact CD-CG2 3.41Å; P686-V1685 HydrophobicContact CG-CG1 4.2Å; P686-V1685 HydrophobicContact CG-CG2 4.45Å | ||
| 687 | S | 23 | Very low | 28.1 | Very low | 21 Ų | 21 | 71.2 Ų | 71.2 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | trans | -146.9 | -125 | -135.2 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | D689 G844 S845 | S687-D689 WeakPolarHBondContact CB-OD1 3.46Å; S687-D689 WeakPolarHBondContact CB-OD2 3.17Å; S687-D689 PolarHBondContact OG-OD1 3.29Å; S687-D689 PolarHBondContact OG-OD2 3.35Å; S687-G844 CarbonylContact O-C 3.53Å; S687-G844 WeakPolarHBondContact O-CA 3.18Å; S687-G844 VanDerWaalsContact O-O 3.06Å; S687-S845 PolarHBondContact O-N 2.96Å | ||
| 688 | K | 28.9 | Very low | 27.3 | Very low | 98 Ų | 98 | 74 Ų | 74 | 43% | 0.426 | 36% | 0.364 | S | S | . | . | S | Bend | cis | -75.1 | 61.5 | -24.3 | -163.3 | 177.3 | -171.2 | 168.7 | 0 | 111 | H809 Y1688 | K688-H809 WeakPolarHBondContact CD-NE2 3.24Å; K688-H809 WeakPolarHBondContact CE-NE2 3.34Å; K688-H809 PolarHBondContact NZ-CD2 2.69Å; K688-H809 VanDerWaalsContact NZ-CD2 3.29Å; K688-H809 PolarHBondContact NZ-NE2 2.8Å; K688-Y1688 HydrophobicContact CB-CE2 4.2Å; K688-Y1688 HydrophobicContact CD-CD2 4.25Å; K688-Y1688 HydrophobicContact CD-CE2 3.5Å; K688-Y1688 VanDerWaalsContact CD-CE2 3.5Å; K688-Y1688 HydrophobicContact CG-CE2 3.66Å |
| 689 | D | 39.8 | Very low | 27.3 | Very low | 103 Ų | 103 | 71.6 Ų | 71.6 | 55% | 0.551 | 35% | 0.354 | S | S | * | . | trans | 55.9 | 68.3 | 155.2 | -48.3 | -52.3 | 0 | 0 | 0 | 114.2 | S687 | S687-D689 WeakPolarHBondContact CB-OD1 3.46Å; S687-D689 WeakPolarHBondContact CB-OD2 3.17Å; S687-D689 PolarHBondContact OG-OD1 3.29Å; S687-D689 PolarHBondContact OG-OD2 3.35Å | ||
| 690 | I | 27.8 | Very low | 27.2 | Very low | 111 Ų | 111 | 69.7 Ų | 69.7 | 57% | 0.569 | 35% | 0.352 | S | S | * | . | 67.6 | 109.5 | 85.7 | -61.6 | 164.6 | 0 | 0 | 0 | 112.2 | L692 | I690-L692 HydrophobicContact CG2-CB 3.66Å; I690-L692 HydrophobicContact CG2-CD1 4.49Å; I690-L692 HydrophobicContact CG2-CG 4.41Å | |||
| 691 | D | 27.2 | Very low | 27.1 | Very low | 58 Ų | 58 | 72 Ų | 72 | 31% | 0.31 | 36% | 0.361 | S | S | . | . | trans | -89.7 | 115.9 | 145.6 | -159.8 | -19.3 | 0 | 0 | 0 | 107 | S1930 R1945 | D691-S1930 PolarHBondContact O-OG 3.13Å; D691-S1930 VanDerWaalsContact O-OG 3.04Å; D691-R1945 IonicContact OD2-CZ 2.88Å; D691-R1945 IonicContact OD2-NH1 2.67Å; D691-R1945 PolarHBondContact OD2-NH1 3.34Å; D691-R1945 VanDerWaalsContact OD2-NH1 3.12Å; D691-R1945 IonicContact OD2-NH2 3.22Å; D691-R1945 PolarHBondContact OD2-NH2 3.06Å | ||
| 692 | L | 25.5 | Very low | 27 | Very low | 86 Ų | 86 | 71 Ų | 71 | 45% | 0.45 | 36% | 0.363 | S | S | . | . | trans | -154.3 | 90.5 | 166.9 | -109.9 | 176.6 | 0 | 0 | 0 | 107.6 | I690 S1930 I1937 | I690-L692 HydrophobicContact CG2-CB 3.66Å; I690-L692 HydrophobicContact CG2-CD1 4.49Å; I690-L692 HydrophobicContact CG2-CG 4.41Å; L692-S1930 VanDerWaalsContact CD2-OG 3.3Å; L692-S1930 WeakPolarHBondContact CD2-OG 3.35Å; L692-S1930 WeakPolarHBondContact CG-OG 3.46Å; L692-I1937 HydrophobicContact CD2-CD1 4.1Å | ||
| 693 | K | 31.6 | Very low | 26.5 | Very low | 156 Ų | 156 | 66.5 Ų | 66.5 | 68% | 0.678 | 35% | 0.348 | S | S | * | . | trans | -119.3 | 26.4 | -175.1 | -138.3 | 171.4 | -168.7 | 169 | 0 | 114.9 | I1937 | K693-I1937 HydrophobicContact CB-CD1 4.47Å; K693-I1937 HydrophobicContact CB-CG1 4.02Å; K693-I1937 HydrophobicContact CB-CG2 4.41Å | ||
| 694 | Q | 29 | Very low | 26.3 | Very low | 15 Ų | 15 | 65 Ų | 65 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -109.7 | 112.7 | 164.6 | -99.5 | -141.5 | -40.2 | 0 | 0 | 111.5 | N381 E1933 R1936 I1937 | N381-Q694 PolarHBondContact N-O 2.58Å; Q694-E1933 HydrophobicContact CB-CB 4.11Å; Q694-E1933 VanDerWaalsContact OE1-CB 3.29Å; Q694-E1933 PolarHBondContact OE1-OE2 3.04Å; Q694-E1933 VanDerWaalsContact OE1-OE2 3.13Å; Q694-R1936 VanDerWaalsContact CD-CB 3.41Å; Q694-R1936 HydrophobicContact CG-CB 4.27Å; Q694-R1936 VanDerWaalsContact OE1-CB 3.31Å; Q694-I1937 HydrophobicContact CB-CD1 4.19Å; Q694-I1937 HydrophobicContact CB-CG1 3.92Å; Q694-I1937 HydrophobicContact CG-CG1 3.96Å; Q694-I1937 VanDerWaalsContact N-CG1 3.31Å |
| 695 | I | 26.8 | Very low | 25.8 | Very low | 72 Ų | 72 | 68 Ų | 68 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | S | Bend | trans | 63.2 | 100.6 | 138.8 | -55.1 | 179.9 | 0 | 0 | 0 | 112.8 | N380 N381 | N380-I695 VanDerWaalsContact CA-O 3.25Å; N380-I695 WeakPolarHBondContact CA-O 3.44Å; N380-I695 WeakPolarHBondContact OD1-CG2 3.45Å; N380-I695 PolarHBondContact OD1-O 3.32Å; N381-I695 PolarHBondContact N-O 2.69Å; N381-I695 PolarHBondContact OD1-O 3.47Å |
| 696 | L | 22.6 | Very low | 25.8 | Very low | 91 Ų | 91 | 68.2 Ų | 68.2 | 48% | 0.476 | 37% | 0.372 | S | S | . | . | cis | -135.1 | -126.6 | 0.9 | -46.8 | 90.9 | 0 | 0 | 0 | 107.5 | N381 | N381-L696 PolarHBondContact OD1-N 3.33Š| ||
| 697 | S | 21.6 | Very low | 25.7 | Very low | 9 Ų | 9 | 73.2 Ų | 73.2 | 6% | 0.063 | 40% | 0.402 | C | S | . | . | trans | 43.8 | 89.5 | 141.6 | 4 | 0 | 0 | 0 | 0 | 115.3 | N381 D699 N895 | N381-S697 WeakPolarHBondContact OD1-CB 2.83Å; N381-S697 PolarHBondContact OD1-OG 3.14Å; S697-D699 WeakPolarHBondContact CA-OD2 3.47Å; S697-D699 VanDerWaalsContact CB-CG 3.45Å; S697-D699 WeakPolarHBondContact CB-OD2 3.36Å; S697-N895 PolarHBondContact OG-ND2 3.21Å | ||
| 698 | G | 20.3 | Very low | 25.9 | Very low | 60 Ų | 60 | 78.1 Ų | 78.1 | 62% | 0.619 | 43% | 0.431 | S | S | * | . | cis | 77.5 | 36.3 | 30.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N894 | G698-N894 CarbonylContact O-C 3.6Š| ||
| 699 | D | 22.6 | Very low | 25.9 | Very low | 6 Ų | 6 | 78.1 Ų | 78.1 | 3% | 0.032 | 44% | 0.444 | C | S | . | . | trans | -133.8 | 67.7 | -148.6 | -85.9 | -121 | 0 | 0 | 0 | 113.2 | T383 N384 S697 K892 L893 N894 | T383-D699 HydrophobicContact CG2-CB 4.02Å; T383-D699 WeakPolarHBondContact OG1-CB 3.4Å; T383-D699 PolarHBondContact OG1-O 2.92Å; N384-D699 PolarHBondContact ND2-O 2.82Å; S697-D699 WeakPolarHBondContact CA-OD2 3.47Å; S697-D699 VanDerWaalsContact CB-CG 3.45Å; S697-D699 WeakPolarHBondContact CB-OD2 3.36Å; D699-K892 VanDerWaalsContact O-O 3.06Å; D699-L893 HydrophobicContact CB-CD2 4.47Å; D699-L893 WeakPolarHBondContact OD1-CA 3.16Å; D699-L893 VanDerWaalsContact OD1-CB 3.27Å; D699-L893 WeakPolarHBondContact OD1-CB 3.24Å; D699-L893 WeakPolarHBondContact OD1-CD2 3.5Å; D699-N894 PolarHBondContact OD1-N 3.49Å; D699-N894 PolarHBondContact OD1-ND2 2.72Å; D699-N894 WeakPolarHBondContact OD2-CA 3.27Å; D699-N894 PolarHBondContact OD2-N 2.8Å | ||
| 700 | N | 22.8 | Very low | 25.2 | Very low | 68 Ų | 68 | 79.5 Ų | 79.5 | 36% | 0.364 | 46% | 0.456 | S | S | . | . | trans | 56.1 | 142.8 | 137.4 | -113.2 | -1.5 | 0 | 0 | 0 | 122.7 | N384 K892 L893 | N384-N700 VanDerWaalsContact ND2-C 3.35Å; N384-N700 PolarHBondContact ND2-O 2.67Å; N700-K892 HydrophobicContact CB-CB 3.83Å; N700-K892 PolarHBondContact O-N 2.74Å; N700-L893 PolarHBondContact ND2-O 2.66Å | ||
| 701 | F | 23.7 | Very low | 25.1 | Very low | 91 Ų | 91 | 77.7 Ų | 77.7 | 40% | 0.399 | 46% | 0.464 | S | S | . | . | trans | 25.6 | 130 | 152.9 | -51.5 | -177.7 | 0 | 0 | 0 | 120.1 | D385 V891 K892 | D385-F701 VanDerWaalsContact OD2-C 3.23Å; F701-V891 CarbonylContact O-C 3.51Å; F701-K892 HydrophobicContact CB-CB 4.11Å; F701-K892 HydrophobicContact CB-CD 3.86Å; F701-K892 HydrophobicContact CB-CG 4.5Å; F701-K892 HydrophobicContact CD1-CD 4.38Å; F701-K892 PolarHBondContact O-N 2.76Å | ||
| 702 | N | 28.6 | Very low | 25 | Very low | 77 Ų | 77 | 79.4 Ų | 79.4 | 41% | 0.412 | 48% | 0.481 | S | S | . | . | 29.3 | 124 | 105 | -29.3 | -41.7 | 0 | 0 | 0 | 117.4 | D385 V704 K892 | D385-N702 PolarHBondContact OD2-N 2.78Å; N702-V704 WeakPolarHBondContact CB-O 3.35Å; N702-K892 WeakPolarHBondContact O-CD 3.43Å; N702-K892 VanDerWaalsContact O-CE 3.31Å; N702-K892 WeakPolarHBondContact O-CE 3.18Å; N702-K892 PolarHBondContact O-NZ 3.02Å | |||
| 703 | H | 22.7 | Very low | 24.9 | Very low | 50 Ų | 50 | 81.2 Ų | 81.2 | 23% | 0.231 | 49% | 0.487 | C | S | . | . | S | Bend | -90.4 | 133.8 | 96.7 | -70.9 | -73.7 | 0 | 0 | 0 | 104.9 | R889 S890 K892 | H703-R889 VanDerWaalsContact CB-O 3.29Å; H703-R889 WeakPolarHBondContact CB-O 3.02Å; H703-R889 PolarHBondContact CD2-O 3.5Å; H703-S890 PolarHBondContact CD2-O 3.27Å; H703-S890 PolarHBondContact N-O 2.81Å; H703-K892 PolarHBondContact CD2-NZ 3.47Å; H703-K892 VanDerWaalsContact CD2-NZ 3.34Å; H703-K892 VanDerWaalsContact CG-NZ 3.31Å; H703-K892 PolarHBondContact ND1-NZ 2.8Å; H703-K892 PolarHBondContact NE2-NZ 3.4Å | |
| 704 | V | 23.2 | Very low | 24.5 | Very low | 113 Ų | 113 | 81.5 Ų | 81.5 | 69% | 0.685 | 49% | 0.488 | S | S | * | . | S | Bend | cis | -43.6 | 105.7 | 8.2 | -170.2 | 0 | 0 | 0 | 0 | 116.6 | N702 | N702-V704 WeakPolarHBondContact CB-O 3.35Š|
| 705 | D | 24.2 | Very low | 24.5 | Very low | 102 Ų | 102 | 87 Ų | 87 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | trans | 52.7 | 137.8 | 160.7 | -52.1 | -37 | 0 | 0 | 0 | 118.6 | ||||
| 706 | G | 24 | Very low | 24.5 | Very low | 29 Ų | 29 | 86.8 Ų | 86.8 | 30% | 0.299 | 52% | 0.523 | S | S | . | . | cis | 100.2 | 102.6 | 40 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 707 | T | 24.2 | Very low | 24.7 | Very low | 121 Ų | 121 | 85.3 Ų | 85.3 | 74% | 0.742 | 52% | 0.52 | S | S | * | . | trans | 64.8 | 129.6 | 162.6 | 55.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 708 | T | 27.7 | Very low | 24.8 | Very low | 124 Ų | 124 | 86.6 Ų | 86.6 | 76% | 0.761 | 53% | 0.525 | S | S | * | . | trans | 68.3 | 112 | 140 | 52.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 709 | S | 27.2 | Very low | 25 | Very low | 99 Ų | 99 | 85.1 Ų | 85.1 | 69% | 0.692 | 50% | 0.502 | S | S | * | . | 88.4 | 124.8 | 111.6 | -161.3 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 710 | V | 25.6 | Very low | 25.1 | Very low | 132 Ų | 132 | 90.3 Ų | 90.3 | 80% | 0.8 | 52% | 0.524 | S | S | * | . | trans | 47.1 | 105.1 | 147.7 | -56.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 711 | G | 26.4 | Very low | 25.4 | Very low | 72 Ų | 72 | 91.8 Ų | 91.8 | 74% | 0.742 | 54% | 0.536 | S | S | * | . | 73.8 | -173.5 | 112.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 712 | S | 24.6 | Very low | 25.7 | Very low | 95 Ų | 95 | 89.8 Ų | 89.8 | 66% | 0.664 | 53% | 0.529 | S | S | * | . | trans | 63.4 | 118.3 | 173.2 | 34.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 713 | E | 23 | Very low | 25.5 | Very low | 123 Ų | 123 | 89.6 Ų | 89.6 | 58% | 0.575 | 53% | 0.534 | S | S | * | . | 70.2 | 160.5 | 129.1 | -60.3 | 161 | 174.7 | 0 | 0 | 119.5 | |||||
| 714 | F | 24.4 | Very low | 25.7 | Very low | 163 Ų | 163 | 87.8 Ų | 87.8 | 72% | 0.715 | 53% | 0.527 | S | S | * | . | trans | 66.6 | 153.9 | 171.8 | -52.4 | -76.4 | 0 | 0 | 0 | 115.8 | ||||
| 715 | D | 27.8 | Very low | 25.7 | Very low | 129 Ų | 129 | 91.9 Ų | 91.9 | 69% | 0.69 | 53% | 0.53 | S | S | * | . | cis | -154.6 | -178.2 | -14.9 | -126.2 | -17.8 | 0 | 0 | 0 | 111.7 | ||||
| 716 | S | 28 | Very low | 25.6 | Very low | 69 Ų | 69 | 90.9 Ų | 90.9 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | trans | 19.5 | 164.8 | 140.6 | -52.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 717 | C | 25.8 | Very low | 25.4 | Very low | 60 Ų | 60 | 92.9 Ų | 92.9 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | trans | 71.3 | 106.7 | 175.8 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | H743 D744 | C717-H743 PolarHBondContact N-O 3.25Å; C717-D744 WeakPolarHBondContact CA-O 3.01Å; C717-D744 PolarHBondContact N-O 2.78Å; C717-D744 PolarHBondContact SG-O 3.09Å; C717-D744 VanDerWaalsContact SG-O 3.37Å | ||
| 718 | E | 25.1 | Very low | 25.3 | Very low | 36 Ų | 36 | 92.4 Ų | 92.4 | 17% | 0.168 | 52% | 0.515 | C | S | . | . | 69.8 | 105.6 | 94.6 | -70.8 | 179.9 | 175.4 | 0 | 0 | 111.4 | R745 G746 E2420 N2423 | E718-R745 WeakPolarHBondContact OE1-CA 2.86Å; E718-R745 PolarHBondContact OE1-N 2.67Å; E718-G746 PolarHBondContact OE1-N 3.01Å; E718-G746 WeakPolarHBondContact OE2-CA 3.14Å; E718-G746 PolarHBondContact OE2-N 3.19Å; E718-E2420 HydrophobicContact CB-CB 3.53Å; E718-E2420 HydrophobicContact CB-CG 3.54Å; E718-E2420 HydrophobicContact CG-CB 4.33Å; E718-E2420 WeakPolarHBondContact OE2-CB 3.36Å; E718-N2423 HydrophobicContact CG-CB 3.81Å; E718-N2423 WeakPolarHBondContact CG-ND2 3.09Å; E718-N2423 PolarHBondContact N-ND2 2.83Å | |||
| 719 | E | 24.2 | Very low | 25.1 | Very low | 28 Ų | 28 | 88.7 Ų | 88.7 | 13% | 0.131 | 49% | 0.491 | C | S | . | . | 89.2 | 95.2 | 80.5 | -166 | -153.3 | 132 | 0 | 0 | 113.5 | R794 R2419 E2420 V2421 L2422 N2423 | E719-R794 PolarHBondContact O-NH2 3.49Å; E719-R2419 CarbonylContact O-C 3.53Å; E719-E2420 PolarHBondContact O-N 3.11Å; E719-E2420 PolarHBondContact OE1-N 2.65Å; E719-E2420 VanDerWaalsContact OE2-C 3.27Å; E719-E2420 WeakPolarHBondContact OE2-CA 3.16Å; E719-E2420 PolarHBondContact OE2-N 2.68Å; E719-V2421 PolarHBondContact OE1-N 3.27Å; E719-V2421 PolarHBondContact OE2-N 3.26Å; E719-L2422 VanDerWaalsContact CD-C 3.42Å; E719-L2422 PolarHBondContact OE1-N 2.82Å; E719-L2422 VanDerWaalsContact OE1-N 3.14Å; E719-L2422 WeakPolarHBondContact OE2-CA 3.46Å; E719-L2422 PolarHBondContact OE2-N 3.15Å; E719-N2423 PolarHBondContact OE2-N 3.35Å | |||
| 720 | F | 23.3 | Very low | 25.1 | Very low | 115 Ų | 115 | 88.3 Ų | 88.3 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | 52.3 | 156.7 | 120.9 | -40.5 | -43.3 | 0 | 0 | 0 | 122.2 | L784 R794 | F720-L784 HydrophobicContact CE1-CD2 4.15Å; F720-L784 HydrophobicContact CZ-CD2 4.4Å; F720-R794 PolarHBondContact O-NH2 3.42Å | |||
| 721 | V | 29.4 | Very low | 25.1 | Very low | 100 Ų | 100 | 85.6 Ų | 85.6 | 61% | 0.606 | 47% | 0.474 | S | S | * | . | trans | 73.6 | 115.8 | -173.5 | -169 | 0 | 0 | 0 | 0 | 111.8 | R794 | V721-R794 PolarHBondContact O-NE 3.13Å; V721-R794 PolarHBondContact O-NH2 2.67Å | ||
| 722 | D | 29.6 | Very low | 25.2 | Very low | 49 Ų | 49 | 89.8 Ų | 89.8 | 26% | 0.262 | 47% | 0.472 | S | S | . | . | -154.2 | 116 | -124 | -89.8 | -67.8 | 0 | 0 | 0 | 110.9 | S792 R1966 | D722-S792 PolarHBondContact OD1-N 2.88Å; D722-R1966 PolarHBondContact O-NH1 3.38Å; D722-R1966 PolarHBondContact O-NH2 3.33Å | |||
| 723 | S | 26.2 | Very low | 25.4 | Very low | 72 Ų | 72 | 90.3 Ų | 90.3 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | trans | -123.5 | 90.1 | 163.8 | -161.1 | 0 | 0 | 0 | 0 | 110.4 | S792 S793 | S723-S792 CarbonylContact O-C 3.39Å; S723-S793 PolarHBondContact O-N 2.86Å | ||
| 724 | P | 26.9 | Very low | 25.7 | Very low | 13 Ų | 13 | 89.5 Ų | 89.5 | 8% | 0.084 | 46% | 0.457 | C | S | . | . | trans | -88.2 | 147.9 | 173.9 | -5 | 25.8 | 0 | 0 | 0 | 111.5 | K726 D789 G791 N1959 | P724-K726 VanDerWaalsContact CB-N 3.31Å; P724-D789 WeakPolarHBondContact CB-O 3.12Å; P724-D789 WeakPolarHBondContact CG-O 2.88Å; P724-G791 VanDerWaalsContact CA-O 3.24Å; P724-G791 WeakPolarHBondContact CA-O 3.22Å; P724-G791 WeakPolarHBondContact CB-O 3.07Å; P724-N1959 PolarHBondContact O-ND2 3.5Å | ||
| 725 | R | 22.9 | Very low | 26 | Very low | 199 Ų | 199 | 87.6 Ų | 87.6 | 75% | 0.751 | 45% | 0.45 | S | S | * | . | cis | 44.4 | 53.5 | 21.9 | -72.2 | -168.3 | 172.9 | -149.3 | 1.6 | 112 | S790 | R725-S790 PolarHBondContact O-N 2.69Å; R725-S790 VanDerWaalsContact O-N 3.15Å | ||
| 726 | K | 21.6 | Very low | 26.1 | Very low | 81 Ų | 81 | 87.1 Ų | 87.1 | 35% | 0.352 | 45% | 0.448 | S | S | . | . | -132.8 | 169.3 | 65.9 | -83.8 | 168.6 | -174.6 | 155.1 | 0 | 110.7 | P724 I728 D789 S790 Q1955 N1959 | P724-K726 VanDerWaalsContact CB-N 3.31Å; K726-I728 HydrophobicContact CB-CG1 4.38Å; K726-I728 HydrophobicContact CD-CD1 4.01Å; K726-I728 HydrophobicContact CD-CG1 4.31Å; K726-D789 PolarHBondContact N-O 3.34Å; K726-S790 WeakPolarHBondContact CD-OG 3.18Å; K726-S790 VanDerWaalsContact CE-OG 3.24Å; K726-S790 WeakPolarHBondContact CE-OG 3.21Å; K726-S790 PolarHBondContact NZ-OG 2.98Å; K726-Q1955 PolarHBondContact O-NE2 3.35Å; K726-N1959 PolarHBondContact O-ND2 3.27Å | |||
| 727 | L | 19.6 | Very low | 26.1 | Very low | 70 Ų | 70 | 91.5 Ų | 91.5 | 37% | 0.366 | 46% | 0.46 | S | S | . | . | 49.5 | 157.4 | 55 | -57.4 | 160.7 | 0 | 0 | 0 | 108.7 | |||||
| 728 | I | 21.9 | Very low | 26.1 | Very low | 111 Ų | 111 | 96.6 Ų | 96.6 | 57% | 0.569 | 48% | 0.478 | S | S | * | . | cis | -135.9 | 124.2 | 29.6 | -81 | 172.7 | 0 | 0 | 0 | 107.6 | K726 S730 | K726-I728 HydrophobicContact CB-CG1 4.38Å; K726-I728 HydrophobicContact CD-CD1 4.01Å; K726-I728 HydrophobicContact CD-CG1 4.31Å; I728-S730 PolarHBondContact O-N 3.28Å | ||
| 729 | N | 24.4 | Very low | 26.1 | Very low | 47 Ų | 47 | 102.2 Ų | 102.2 | 25% | 0.251 | 50% | 0.502 | S | S | . | . | 31.4 | 75.4 | 122.7 | -37.4 | -26 | 0 | 0 | 0 | 113.5 | C731 L1951 | N729-C731 CarbonylContact O-C 3.01Å; N729-C731 WeakPolarHBondContact O-CA 3.42Å; N729-C731 PolarHBondContact O-N 3.27Å; N729-L1951 HydrophobicContact CB-CD1 4.31Å | |||
| 730 | S | 25.8 | Very low | 26.2 | Very low | 91 Ų | 91 | 104.5 Ų | 104.5 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -64 | 4.5 | 172.5 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | I728 K732 | I728-S730 PolarHBondContact O-N 3.28Å; S730-K732 PolarHBondContact O-N 2.66Å |
| 731 | C | 25.7 | Very low | 26.5 | Very low | 74 Ų | 74 | 105.6 Ų | 105.6 | 50% | 0.5 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -60.7 | 67.7 | 140.4 | -96.5 | 0 | 0 | 0 | 0 | 113.5 | N729 L1947 | N729-C731 CarbonylContact O-C 3.01Å; N729-C731 WeakPolarHBondContact O-CA 3.42Å; N729-C731 PolarHBondContact O-N 3.27Å; C731-L1947 HydrophobicContact CB-CD2 3.93Å |
| 732 | K | 28.4 | Very low | 26.5 | Very low | 160 Ų | 160 | 104.2 Ų | 104.2 | 70% | 0.696 | 52% | 0.524 | S | S | * | . | trans | 75.4 | 119.3 | 141.3 | -60.8 | 161.6 | -175.7 | 169.9 | 0 | 118.6 | S730 | S730-K732 PolarHBondContact O-N 2.66Š| ||
| 733 | K | 29.7 | Very low | 26.3 | Very low | 106 Ų | 106 | 104.8 Ų | 104.8 | 46% | 0.461 | 52% | 0.524 | S | S | . | . | trans | 60.3 | 126 | 135.4 | -59.1 | 175.7 | 170.1 | -170.2 | 0 | 118.9 | N900 S901 | K733-N900 HydrophobicContact CD-CB 3.88Å; K733-N900 VanDerWaalsContact NZ-C 3.3Å; K733-N900 PolarHBondContact NZ-O 3.32Å; K733-N900 PolarHBondContact NZ-OD1 2.93Å; K733-S901 PolarHBondContact NZ-O 3.25Å | ||
| 734 | K | 29.7 | Very low | 26.4 | Very low | 107 Ų | 107 | 102.8 Ų | 102.8 | 47% | 0.465 | 51% | 0.508 | S | S | . | . | -175.4 | 149.9 | 100 | -102.8 | -172.4 | 173.7 | -139.8 | 0 | 114.3 | E899 | K734-E899 WeakPolarHBondContact CE-OE2 3.15Å; K734-E899 IonicContact NZ-OE2 2.74Å; K734-E899 PolarHBondContact NZ-OE2 2.94Å | |||
| 735 | E | 29.8 | Very low | 26.2 | Very low | 123 Ų | 123 | 109.8 Ų | 109.8 | 58% | 0.575 | 53% | 0.533 | S | S | * | . | trans | 50.8 | 112.8 | 137.1 | -64.6 | 171 | -158.7 | 0 | 0 | 122.5 | ||||
| 736 | N | 30.3 | Very low | 26.6 | Very low | 118 Ų | 118 | 102.6 Ų | 102.6 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | 74.1 | 121.8 | 113.6 | -59.5 | -14.2 | 0 | 0 | 0 | 123.1 | |||||
| 737 | H | 27.7 | Very low | 26.7 | Very low | 162 Ų | 162 | 105.8 Ų | 105.8 | 75% | 0.75 | 54% | 0.538 | S | S | * | . | trans | 80.3 | 143.2 | 132.7 | -63.5 | -24.7 | 0 | 0 | 0 | 121.8 | ||||
| 738 | Q | 26.4 | Very low | 27 | Very low | 166 Ų | 166 | 104.9 Ų | 104.9 | 78% | 0.776 | 55% | 0.546 | S | S | * | . | trans | 75.5 | 116.1 | 152.3 | -77.9 | 174.9 | -20.8 | 0 | 0 | 118.1 | ||||
| 739 | F | 25.3 | Very low | 26.8 | Very low | 154 Ų | 154 | 104.5 Ų | 104.5 | 68% | 0.675 | 55% | 0.553 | S | S | * | * | 84.2 | 108.3 | 101 | -92.7 | -121.6 | 0 | 0 | 0 | 112.8 | |||||
| 740 | T | 26.5 | Very low | 26.5 | Very low | 77 Ų | 77 | 108.1 Ų | 108.1 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | 72.3 | 144.4 | 95.2 | 63.1 | 0 | 0 | 0 | 0 | 115.7 | I2430 | T740-I2430 HydrophobicContact CG2-CG1 4.38Š| |||
| 741 | L | 28.1 | Very low | 26.4 | Very low | 137 Ų | 137 | 108.9 Ų | 108.9 | 72% | 0.717 | 58% | 0.578 | S | S | * | * | trans | 75.6 | 132.5 | 174.2 | -51 | 166.6 | 0 | 0 | 0 | 112.9 | ||||
| 742 | S | 29.7 | Very low | 26.6 | Very low | 72 Ų | 72 | 111 Ų | 111 | 50% | 0.503 | 59% | 0.591 | S | S | . | * | cis | 100 | 143.8 | 15.6 | 77.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 743 | H | 25.5 | Very low | 26.5 | Very low | 60 Ų | 60 | 106.6 Ų | 106.6 | 28% | 0.278 | 58% | 0.58 | S | S | . | * | trans | 99.5 | 126.8 | 153.1 | -80.2 | -72.9 | 0 | 0 | 0 | 122.3 | C717 S2426 | C717-H743 PolarHBondContact N-O 3.25Å; H743-S2426 WeakPolarHBondContact CE1-CB 3.14Å; H743-S2426 PolarHBondContact CE1-N 3.26Å; H743-S2426 WeakPolarHBondContact NE2-CA 3.24Å; H743-S2426 VanDerWaalsContact NE2-CB 3.34Å; H743-S2426 WeakPolarHBondContact NE2-CB 3.48Å; H743-S2426 PolarHBondContact NE2-N 3.31Å | ||
| 744 | D | 27.7 | Very low | 26.9 | Very low | 31 Ų | 31 | 107.8 Ų | 107.8 | 17% | 0.166 | 60% | 0.597 | C | S | . | * | trans | 79.9 | 106.2 | 130.7 | -72.5 | 15.3 | 0 | 0 | 0 | 123.6 | C717 N2423 | C717-D744 WeakPolarHBondContact CA-O 3.01Å; C717-D744 PolarHBondContact N-O 2.78Å; C717-D744 PolarHBondContact SG-O 3.09Å; C717-D744 VanDerWaalsContact SG-O 3.37Å; D744-N2423 PolarHBondContact N-ND2 3.04Å | ||
| 745 | R | 24.5 | Very low | 27.6 | Very low | 160 Ų | 160 | 107.6 Ų | 107.6 | 60% | 0.604 | 61% | 0.606 | S | S | * | * | 95.6 | 97 | 113.3 | -72.3 | -176.1 | -132.5 | -119.2 | -12.4 | 120.7 | E718 | E718-R745 WeakPolarHBondContact OE1-CA 2.86Å; E718-R745 PolarHBondContact OE1-N 2.67Å | |||
| 746 | G | 30 | Very low | 27.4 | Very low | 47 Ų | 47 | 105.5 Ų | 105.5 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -99.9 | 30.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 116 | E718 | E718-G746 PolarHBondContact OE1-N 3.01Å; E718-G746 WeakPolarHBondContact OE2-CA 3.14Å; E718-G746 PolarHBondContact OE2-N 3.19Å |
| 747 | M | 23.2 | Very low | 27.4 | Very low | 148 Ų | 148 | 104.6 Ų | 104.6 | 73% | 0.729 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -141.1 | 137.4 | 172.4 | -106.8 | -71.9 | -177.6 | 0 | 0 | 111 | ||
| 748 | G | 25.9 | Very low | 27.6 | Very low | 52 Ų | 52 | 107 Ų | 107 | 54% | 0.536 | 61% | 0.61 | S | S | . | * | trans | 96.2 | 127.6 | -143.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 749 | S | 19.5 | Very low | 27.8 | Very low | 102 Ų | 102 | 103.1 Ų | 103.1 | 71% | 0.713 | 60% | 0.598 | S | S | * | * | 73.6 | 119.4 | 78.4 | 72.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 750 | V | 16.9 | Very low | 27.8 | Very low | 124 Ų | 124 | 101.5 Ų | 101.5 | 75% | 0.752 | 60% | 0.601 | S | S | * | * | S | Bend | 54.8 | 131.8 | 65.7 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | |||
| 751 | T | 23 | Very low | 27.6 | Very low | 106 Ų | 106 | 101.1 Ų | 101.1 | 65% | 0.65 | 61% | 0.613 | S | S | * | * | trans | -29.9 | 125.4 | 167.2 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 752 | P | 31.6 | Very low | 27.5 | Very low | 119 Ų | 119 | 101.1 Ų | 101.1 | 77% | 0.773 | 62% | 0.619 | S | S | * | * | -94.3 | 111.1 | 61.5 | -16.1 | 32.1 | 0 | 0 | 0 | 112.3 | |||||
| 753 | S | 26.2 | Very low | 27.4 | Very low | 68 Ų | 68 | 101.2 Ų | 101.2 | 48% | 0.476 | 63% | 0.631 | S | S | . | * | 62.4 | 106.8 | 61.8 | 81.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 754 | T | 37.9 | Very low | 27.4 | Very low | 131 Ų | 131 | 109.5 Ų | 109.5 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | trans | 65 | 176.8 | 150.8 | 73.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 755 | P | 43.1 | Very low | 27.4 | Very low | 102 Ų | 102 | 113.1 Ų | 113.1 | 66% | 0.662 | 69% | 0.687 | S | S | * | * | cis | -120 | -170.1 | -12.7 | 28.7 | -8.1 | 0 | 0 | 0 | 111.7 | ||||
| 756 | S | 26 | Very low | 27.6 | Very low | 79 Ų | 79 | 109.2 Ų | 109.2 | 55% | 0.552 | 69% | 0.689 | S | S | * | * | trans | 62.8 | 119.6 | 151.7 | 40.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 757 | S | 30.5 | Very low | 27.4 | Very low | 99 Ų | 99 | 110.9 Ų | 110.9 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | 57 | 140.1 | 67.5 | 90.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 758 | R | 31.9 | Very low | 27.6 | Very low | 213 Ų | 213 | 108 Ų | 108 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | trans | 78.6 | 138 | 166.4 | -75.3 | -166.3 | 176.7 | -159.1 | 0.2 | 117.5 | ||||
| 759 | T | 31.5 | Very low | 27.6 | Very low | 85 Ų | 85 | 107.9 Ų | 107.9 | 52% | 0.521 | 66% | 0.664 | S | S | . | * | cis | 178.7 | 154.6 | -20.1 | 20.1 | 0 | 0 | 0 | 0 | 108.1 | G761 | T759-G761 PolarHBondContact O-N 3.34Š| ||
| 760 | T | 24.9 | Very low | 28 | Very low | 119 Ų | 119 | 107.1 Ų | 107.1 | 73% | 0.73 | 66% | 0.656 | S | S | * | * | trans | 46.3 | 61.5 | 146.4 | 65.1 | 0 | 0 | 0 | 0 | 118.7 | T762 | T760-T762 PolarHBondContact O-OG1 3.36Š| ||
| 761 | G | 22.6 | Very low | 28.7 | Very low | 70 Ų | 70 | 109 Ų | 109 | 72% | 0.722 | 66% | 0.656 | S | S | * | * | trans | 51.7 | -140.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | T759 G763 | T759-G761 PolarHBondContact O-N 3.34Å; G761-G763 PolarHBondContact O-N 3.01Å | ||
| 762 | T | 26.2 | Very low | 28.9 | Very low | 137 Ų | 137 | 109.1 Ų | 109.1 | 84% | 0.84 | 66% | 0.657 | S | S | * | * | trans | 60.5 | 37.3 | 170.3 | 59 | 0 | 0 | 0 | 0 | 119.1 | T760 | T760-T762 PolarHBondContact O-OG1 3.36Š| ||
| 763 | G | 27.2 | Very low | 28.7 | Very low | 74 Ų | 74 | 107.8 Ų | 107.8 | 76% | 0.763 | 65% | 0.648 | S | S | * | * | trans | -109.4 | 120.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G761 | G761-G763 PolarHBondContact O-N 3.01Š| ||
| 764 | R | 25.5 | Very low | 28.7 | Very low | 234 Ų | 234 | 114.1 Ų | 114.1 | 88% | 0.883 | 66% | 0.662 | S | S | * | * | cis | 57.8 | 124.2 | 26 | -84.7 | -176.1 | 171 | 178.8 | -2 | 114.4 | ||||
| 765 | S | 27.9 | Very low | 28 | Very low | 106 Ų | 106 | 111.6 Ų | 111.6 | 74% | 0.741 | 65% | 0.649 | S | S | * | * | cis | 170.6 | 118.6 | -28.3 | 39.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 766 | A | 28.9 | Very low | 27 | Very low | 78 Ų | 78 | 111.7 Ų | 111.7 | 65% | 0.645 | 64% | 0.644 | S | S | * | * | trans | -169.4 | 160.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 767 | L | 25.7 | Very low | 26.8 | Very low | 82 Ų | 82 | 111.7 Ų | 111.7 | 43% | 0.429 | 64% | 0.638 | S | S | . | * | trans | 59.8 | 167.3 | 158.1 | -61.2 | 163.3 | 0 | 0 | 0 | 115.9 | R2429 I2430 | L767-R2429 HydrophobicContact CB-CG 4.38Å; L767-R2429 HydrophobicContact CD1-CG 3.81Å; L767-R2429 HydrophobicContact CD2-CG 4.15Å; L767-R2429 HydrophobicContact CG-CG 4.3Å; L767-I2430 HydrophobicContact CB-CB 4.32Å; L767-I2430 HydrophobicContact CB-CD1 4.16Å; L767-I2430 VanDerWaalsContact O-CG2 3.29Å; L767-I2430 WeakPolarHBondContact O-CG2 3.39Å | ||
| 768 | L | 26.9 | Very low | 26.4 | Very low | 89 Ų | 89 | 114 Ų | 114 | 47% | 0.466 | 64% | 0.642 | S | S | . | * | cis | 75.1 | 107.8 | -19.6 | -59.1 | 96.6 | 0 | 0 | 0 | 123.3 | R2429 V2431 K2432 | L768-R2429 WeakPolarHBondContact O-CG 3.25Å; L768-V2431 HydrophobicContact CB-CG2 4.09Å; L768-V2431 HydrophobicContact CD2-CG2 4.46Å; L768-V2431 HydrophobicContact CG-CG2 4.05Å; L768-V2431 VanDerWaalsContact N-N 3.12Å; L768-K2432 HydrophobicContact CD1-CD 3.96Å | ||
| 769 | S | 26.7 | Very low | 26.1 | Very low | 48 Ų | 48 | 105.4 Ų | 105.4 | 34% | 0.336 | 61% | 0.61 | S | S | . | * | 155 | 99.6 | 107.1 | -161.9 | 0 | 0 | 0 | 0 | 117.4 | R2429 I2430 | S769-R2429 CarbonylContact C-O 3.18Å; S769-R2429 VanDerWaalsContact N-C 3.31Å; S769-R2429 PolarHBondContact N-O 3.35Å; S769-R2429 VanDerWaalsContact N-O 3.09Å; S769-I2430 PolarHBondContact N-O 3.25Å | |||
| 770 | T | 27.2 | Very low | 26 | Very low | 87 Ų | 87 | 102.4 Ų | 102.4 | 53% | 0.534 | 59% | 0.591 | S | S | . | * | trans | 70.6 | 172.9 | 135.1 | 56.7 | 0 | 0 | 0 | 0 | 122 | R2429 | T770-R2429 PolarHBondContact N-O 3.19Š| ||
| 771 | H | 32.3 | Very low | 26.3 | Very low | 162 Ų | 162 | 101.2 Ų | 101.2 | 75% | 0.75 | 58% | 0.579 | S | S | * | * | trans | 77.9 | 150 | 163.4 | -67 | -61.7 | 0 | 0 | 0 | 115 | ||||
| 772 | T | 27.4 | Very low | 26.4 | Very low | 109 Ų | 109 | 101.4 Ų | 101.4 | 67% | 0.669 | 56% | 0.563 | S | S | * | * | cis | 61.8 | 142.9 | 39.8 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 773 | P | 27.1 | Very low | 26.6 | Very low | 91 Ų | 91 | 99.9 Ų | 99.9 | 59% | 0.591 | 55% | 0.546 | S | S | * | . | cis | -139 | -157.6 | 10.5 | 41.5 | -20 | 0 | 0 | 0 | 113.1 | ||||
| 774 | R | 24.4 | Very low | 26.5 | Very low | 202 Ų | 202 | 98.2 Ų | 98.2 | 76% | 0.762 | 52% | 0.519 | S | S | * | . | trans | 42.9 | 137.4 | 145 | -71.5 | 172.1 | 172.5 | 156.9 | -6.3 | 121.7 | ||||
| 775 | S | 23.5 | Very low | 26.5 | Very low | 77 Ų | 77 | 91.8 Ų | 91.8 | 54% | 0.538 | 51% | 0.51 | S | S | . | . | trans | 70.5 | 129.8 | 139.2 | 58.2 | 0 | 0 | 0 | 0 | 118.4 | Y779 | S775-Y779 WeakPolarHBondContact CA-OH 3.35Å; S775-Y779 PolarHBondContact N-OH 3.44Å; S775-Y779 VanDerWaalsContact N-OH 3.16Å | ||
| 776 | N | 22.9 | Very low | 26.5 | Very low | 105 Ų | 105 | 94 Ų | 94 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | cis | -152 | 154.7 | 1.3 | -125 | 36.7 | 0 | 0 | 0 | 113.2 | Y779 | N776-Y779 PolarHBondContact O-N 2.68Š| ||
| 777 | D | 21.8 | Very low | 26.3 | Very low | 78 Ų | 78 | 95.2 Ų | 95.2 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | S | Bend | trans | 15 | 124.5 | 158 | -50.6 | -49.6 | 0 | 0 | 0 | 118.8 | Y779 | D777-Y779 HydrophobicContact CB-CD2 4.41Å; D777-Y779 WeakPolarHBondContact OD1-CE2 2.93Å |
| 778 | L | 23 | Very low | 26.4 | Very low | 148 Ų | 148 | 96.2 Ų | 96.2 | 78% | 0.775 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 58.1 | 27 | -156.3 | -53 | 169.5 | 0 | 0 | 0 | 111.2 | ||
| 779 | Y | 24.8 | Very low | 26.5 | Very low | 33 Ų | 33 | 96.5 Ų | 96.5 | 13% | 0.129 | 52% | 0.515 | C | S | . | . | 18.3 | 113.7 | 78.9 | -72.3 | -29.1 | 0 | 0 | 0 | 112 | S775 N776 D777 I1973 Q2209 | S775-Y779 WeakPolarHBondContact CA-OH 3.35Å; S775-Y779 PolarHBondContact N-OH 3.44Å; S775-Y779 VanDerWaalsContact N-OH 3.16Å; N776-Y779 PolarHBondContact O-N 2.68Å; D777-Y779 HydrophobicContact CB-CD2 4.41Å; D777-Y779 WeakPolarHBondContact OD1-CE2 2.93Å; Y779-I1973 VanDerWaalsContact O-CG2 3.28Å; Y779-I1973 WeakPolarHBondContact O-CG2 3.13Å; Y779-Q2209 PolarHBondContact OH-NE2 2.67Å | |||
| 780 | T | 29 | Very low | 26.8 | Very low | 21 Ų | 21 | 97 Ų | 97 | 13% | 0.129 | 52% | 0.518 | C | S | . | . | cis | -151 | 126 | 31.2 | 1 | 0 | 0 | 0 | 0 | 108.5 | I1973 N1976 | T780-I1973 WeakPolarHBondContact O-CD1 3.29Å; T780-I1973 WeakPolarHBondContact O-CG1 2.95Å; T780-I1973 WeakPolarHBondContact OG1-CA 3.27Å; T780-N1976 HydrophobicContact CG2-CB 3.45Å; T780-N1976 VanDerWaalsContact CG2-CB 3.45Å; T780-N1976 WeakPolarHBondContact OG1-CB 3.45Å | ||
| 781 | M | 31.5 | Very low | 27.3 | Very low | 95 Ų | 95 | 94 Ų | 94 | 47% | 0.468 | 51% | 0.506 | S | S | . | . | 58.4 | 113.4 | 101.9 | -61 | -86.7 | 106.2 | 0 | 0 | 111 | H783 | M781-H783 VanDerWaalsContact C-N 3.34Å; M781-H783 PolarHBondContact O-N 3.41Å; M781-H783 VanDerWaalsContact O-N 3.15Å | |||
| 782 | D | 25.6 | Very low | 27.1 | Very low | 73 Ų | 73 | 88.2 Ų | 88.2 | 39% | 0.39 | 48% | 0.483 | S | S | . | . | 49.3 | 63.7 | 77.1 | -53.1 | -55.8 | 0 | 0 | 0 | 109.8 | |||||
| 783 | H | 29.6 | Very low | 27.2 | Very low | 106 Ų | 106 | 86.1 Ų | 86.1 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | -165.4 | 131.2 | 69.8 | -83.2 | -54.4 | 0 | 0 | 0 | 111 | M781 E1969 K1972 | M781-H783 VanDerWaalsContact C-N 3.34Å; M781-H783 PolarHBondContact O-N 3.41Å; M781-H783 VanDerWaalsContact O-N 3.15Å; H783-E1969 VanDerWaalsContact C-OE1 3.29Å; H783-K1972 PolarHBondContact O-NZ 2.79Å | |||
| 784 | L | 25.2 | Very low | 27.1 | Very low | 38 Ų | 38 | 83.2 Ų | 83.2 | 20% | 0.199 | 45% | 0.45 | C | S | . | . | cis | 49.2 | 35.4 | 37.4 | -53.8 | 91.8 | 0 | 0 | 0 | 112.6 | F720 K786 E1969 | F720-L784 HydrophobicContact CE1-CD2 4.15Å; F720-L784 HydrophobicContact CZ-CD2 4.4Å; L784-K786 WeakPolarHBondContact O-CE 3.47Å; L784-K786 WeakPolarHBondContact O-CG 2.97Å; L784-E1969 PolarHBondContact N-OE1 2.86Å | ||
| 785 | S | 26.1 | Very low | 26.9 | Very low | 100 Ų | 100 | 74.5 Ų | 74.5 | 70% | 0.699 | 42% | 0.419 | S | S | * | . | -105.3 | 79 | 126 | -70.1 | 0 | 0 | 0 | 0 | 105.6 | |||||
| 786 | K | 27.1 | Very low | 27 | Very low | 151 Ų | 151 | 74.5 Ų | 74.5 | 66% | 0.657 | 42% | 0.416 | S | S | * | . | S | Bend | 74.2 | 143.2 | 81.8 | -70.5 | 158.5 | -174.2 | 172.4 | 0 | 111.2 | L784 L788 | L784-K786 WeakPolarHBondContact O-CE 3.47Å; L784-K786 WeakPolarHBondContact O-CG 2.97Å; K786-L788 HydrophobicContact CB-CD1 4.4Å; K786-L788 HydrophobicContact CG-CD1 3.8Å | |
| 787 | P | 25.3 | Very low | 27.1 | Very low | 105 Ų | 105 | 70.3 Ų | 70.3 | 68% | 0.682 | 39% | 0.394 | S | S | * | . | cis | -91.2 | 143.6 | -13.5 | -10.5 | 32.2 | 0 | 0 | 0 | 111.1 | ||||
| 788 | L | 26.6 | Very low | 27.2 | Very low | 103 Ų | 103 | 66.8 Ų | 66.8 | 54% | 0.539 | 38% | 0.375 | S | S | . | . | 56.3 | 108.9 | 50.9 | -53.7 | 167.2 | 0 | 0 | 0 | 112.1 | K786 | K786-L788 HydrophobicContact CB-CD1 4.4Å; K786-L788 HydrophobicContact CG-CD1 3.8Å | |||
| 789 | D | 29.7 | Very low | 27.4 | Very low | 95 Ų | 95 | 63.5 Ų | 63.5 | 51% | 0.508 | 36% | 0.356 | S | S | . | . | trans | 171.5 | 139.4 | 143.1 | -99.8 | -2.2 | 0 | 0 | 0 | 114.1 | P724 K726 | P724-D789 WeakPolarHBondContact CB-O 3.12Å; P724-D789 WeakPolarHBondContact CG-O 2.88Å; K726-D789 PolarHBondContact N-O 3.34Å | ||
| 790 | S | 32.6 | Very low | 27.5 | Very low | 57 Ų | 57 | 62.6 Ų | 62.6 | 40% | 0.399 | 35% | 0.354 | S | S | . | . | S | Bend | cis | -153.8 | 50.8 | -10.3 | 79.3 | 0 | 0 | 0 | 0 | 115.1 | R725 K726 | R725-S790 PolarHBondContact O-N 2.69Å; R725-S790 VanDerWaalsContact O-N 3.15Å; K726-S790 WeakPolarHBondContact CD-OG 3.18Å; K726-S790 VanDerWaalsContact CE-OG 3.24Å; K726-S790 WeakPolarHBondContact CE-OG 3.21Å; K726-S790 PolarHBondContact NZ-OG 2.98Å |
| 791 | G | 37.1 | Very low | 27.3 | Very low | 26 Ų | 26 | 65.9 Ų | 65.9 | 27% | 0.268 | 36% | 0.364 | S | S | . | . | cis | -137.5 | -131.9 | -3.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | P724 | P724-G791 VanDerWaalsContact CA-O 3.24Å; P724-G791 WeakPolarHBondContact CA-O 3.22Å; P724-G791 WeakPolarHBondContact CB-O 3.07Å | ||
| 792 | S | 29.9 | Very low | 27.2 | Very low | 40 Ų | 40 | 62.4 Ų | 62.4 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | trans | -7.1 | 128.1 | 153.3 | 138.7 | 0 | 0 | 0 | 0 | 117.5 | D722 S723 R794 | D722-S792 PolarHBondContact OD1-N 2.88Å; S723-S792 CarbonylContact O-C 3.39Å; S792-R794 WeakPolarHBondContact OG-CD 3.46Å; S792-R794 VanDerWaalsContact OG-CG 3.29Å; S792-R794 WeakPolarHBondContact OG-CG 3.34Å | ||
| 793 | S | 28.2 | Very low | 27.7 | Very low | 65 Ų | 65 | 59.2 Ų | 59.2 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | -156.3 | 126.6 | 95.9 | 17.1 | 0 | 0 | 0 | 0 | 111.1 | S723 | S723-S793 PolarHBondContact O-N 2.86Š| |||
| 794 | R | 24.6 | Very low | 27.7 | Very low | 29 Ų | 29 | 55.1 Ų | 55.1 | 11% | 0.109 | 31% | 0.311 | C | S | . | . | cis | 71.8 | 155.3 | 39.1 | -58.2 | -170.4 | 171.1 | 174.8 | -7.1 | 114.4 | E719 F720 V721 S792 F2414 G2415 Q2416 | E719-R794 PolarHBondContact O-NH2 3.49Å; F720-R794 PolarHBondContact O-NH2 3.42Å; V721-R794 PolarHBondContact O-NE 3.13Å; V721-R794 PolarHBondContact O-NH2 2.67Å; S792-R794 WeakPolarHBondContact OG-CD 3.46Å; S792-R794 VanDerWaalsContact OG-CG 3.29Å; S792-R794 WeakPolarHBondContact OG-CG 3.34Å; R794-F2414 WeakPolarHBondContact O-CD1 3.48Å; R794-G2415 WeakPolarHBondContact CA-O 2.86Å; R794-G2415 VanDerWaalsContact CB-O 3.31Å; R794-G2415 WeakPolarHBondContact CB-O 3.5Å; R794-G2415 VanDerWaalsContact CG-O 3.29Å; R794-G2415 WeakPolarHBondContact CG-O 3.43Å; R794-Q2416 HydrophobicContact CB-CB 3.75Å; R794-Q2416 HydrophobicContact CB-CG 3.33Å; R794-Q2416 HydrophobicContact CG-CB 4.16Å; R794-Q2416 HydrophobicContact CG-CG 4.11Å | ||
| 795 | N | 21 | Very low | 28.4 | Very low | 19 Ų | 19 | 55.7 Ų | 55.7 | 10% | 0.102 | 31% | 0.312 | C | S | . | . | trans | -39 | 136 | 178.9 | -43 | 143 | 0 | 0 | 0 | 112.8 | V797 L2413 F2414 G2415 Q2416 | N795-V797 HydrophobicContact CB-CG2 3.92Å; N795-L2413 HydrophobicContact CB-CD1 4.4Å; N795-L2413 HydrophobicContact CB-CD2 3.58Å; N795-L2413 HydrophobicContact CB-CG 4.45Å; N795-L2413 WeakPolarHBondContact ND2-CD1 3.45Å; N795-F2414 WeakPolarHBondContact CA-O 3.33Å; N795-F2414 WeakPolarHBondContact CB-O 3.47Å; N795-F2414 PolarHBondContact N-O 3.01Å; N795-F2414 PolarHBondContact ND2-O 2.86Å; N795-G2415 VanDerWaalsContact N-C 3.28Å; N795-G2415 VanDerWaalsContact ND2-CA 3.33Å; N795-G2415 WeakPolarHBondContact ND2-CA 3.01Å; N795-Q2416 HydrophobicContact CB-CB 3.89Å; N795-Q2416 HydrophobicContact CB-CG 3.62Å; N795-Q2416 PolarHBondContact ND2-N 3.2Å; N795-Q2416 WeakPolarHBondContact O-CG 3Å; N795-Q2416 PolarHBondContact O-NE2 3.19Å; N795-Q2416 VanDerWaalsContact OD1-CB 3.24Å; N795-Q2416 WeakPolarHBondContact OD1-CB 3.45Å; N795-Q2416 PolarHBondContact OD1-N 3.47Å | ||
| 796 | T | 25.6 | Very low | 28.5 | Very low | 77 Ų | 77 | 53.6 Ų | 53.6 | 47% | 0.472 | 29% | 0.292 | S | S | . | . | -143.8 | 121.9 | 102.1 | 32.6 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 797 | V | 24.1 | Very low | 28.5 | Very low | 17 Ų | 17 | 50 Ų | 50 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | 85.2 | 117 | 56.7 | 156.4 | 0 | 0 | 0 | 0 | 106.6 | N795 L1702 L2413 | N795-V797 HydrophobicContact CB-CG2 3.92Å; V797-L1702 HydrophobicContact CG1-CD1 4.31Å; V797-L1702 HydrophobicContact CG1-CD2 3.55Å; V797-L1702 HydrophobicContact CG1-CG 4.48Å; V797-L2413 HydrophobicContact CB-CD2 4.37Å; V797-L2413 HydrophobicContact CG2-CD1 4.22Å; V797-L2413 HydrophobicContact CG2-CD2 3.93Å | |||
| 798 | D | 24.9 | Very low | 29.1 | Very low | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | trans | 60.1 | 80 | 162.8 | -46.2 | -16 | 0 | 0 | 0 | 113.5 | S800 Y1695 V1698 K1699 L1702 | D798-S800 WeakPolarHBondContact CA-OG 2.88Å; D798-S800 VanDerWaalsContact CB-OG 3.25Å; D798-S800 WeakPolarHBondContact CB-OG 3.02Å; D798-S800 PolarHBondContact O-OG 2.69Å; D798-Y1695 VanDerWaalsContact O-CD2 3.25Å; D798-Y1695 WeakPolarHBondContact O-CD2 3.37Å; D798-Y1695 WeakPolarHBondContact O-CE2 3.42Å; D798-V1698 HydrophobicContact CB-CB 3.86Å; D798-V1698 HydrophobicContact CB-CG1 4.05Å; D798-V1698 WeakPolarHBondContact OD1-CG1 3.27Å; D798-V1698 VanDerWaalsContact OD2-C 3.28Å; D798-K1699 HydrophobicContact CB-CB 4.07Å; D798-K1699 WeakPolarHBondContact OD2-CA 3.44Å; D798-K1699 PolarHBondContact OD2-N 2.74Å; D798-L1702 WeakPolarHBondContact OD2-CB 2.97Å; D798-L1702 WeakPolarHBondContact OD2-CD2 3.44Å | ||
| 799 | H | 27.9 | Very low | 29 | Very low | 80 Ų | 80 | 45 Ų | 45 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | cis | 53 | 65.2 | 34.8 | -63.7 | -67.1 | 0 | 0 | 0 | 112.2 | V1698 I2412 | H799-V1698 VanDerWaalsContact O-CB 3.23Å; H799-V1698 WeakPolarHBondContact O-CB 3.31Å; H799-V1698 VanDerWaalsContact O-CG2 3.25Å; H799-V1698 WeakPolarHBondContact O-CG2 3.49Å; H799-I2412 HydrophobicContact CB-CD1 4.25Å; H799-I2412 HydrophobicContact CB-CG1 3.71Å; H799-I2412 VanDerWaalsContact CD2-CG1 3.44Å; H799-I2412 WeakPolarHBondContact CD2-CG1 3.39Å; H799-I2412 PolarHBondContact CD2-N 2.89Å; H799-I2412 PolarHBondContact CE1-N 3.28Å; H799-I2412 PolarHBondContact ND1-N 2.96Å; H799-I2412 WeakPolarHBondContact NE2-CA 2.99Å; H799-I2412 PolarHBondContact NE2-N 3.47Å; H799-I2412 VanDerWaalsContact NE2-N 3.11Å | ||
| 800 | S | 26.5 | Very low | 29 | Very low | 14 Ų | 14 | 42.3 Ų | 42.3 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | trans | -143.5 | -168.6 | -152.1 | -66.9 | 0 | 0 | 0 | 0 | 114.6 | D798 E1694 Y1695 V1698 | D798-S800 WeakPolarHBondContact CA-OG 2.88Å; D798-S800 VanDerWaalsContact CB-OG 3.25Å; D798-S800 WeakPolarHBondContact CB-OG 3.02Å; D798-S800 PolarHBondContact O-OG 2.69Å; S800-E1694 WeakPolarHBondContact CB-O 2.98Å; S800-E1694 PolarHBondContact N-O 2.86Å; S800-E1694 CarbonylContact O-C 3.36Å; S800-E1694 WeakPolarHBondContact O-CA 3.07Å; S800-E1694 WeakPolarHBondContact O-CB 3.43Å; S800-E1694 VanDerWaalsContact O-CG 3.24Å; S800-E1694 WeakPolarHBondContact O-CG 3.2Å; S800-Y1695 WeakPolarHBondContact CB-O 3.39Å; S800-Y1695 PolarHBondContact OG-O 3.06Å; S800-V1698 VanDerWaalsContact CB-N 3.27Å; S800-V1698 WeakPolarHBondContact OG-CA 3.12Å; S800-V1698 VanDerWaalsContact OG-CB 3.31Å; S800-V1698 WeakPolarHBondContact OG-CB 3.4Å; S800-V1698 PolarHBondContact OG-N 2.66Å | ||
| 801 | R | 23.6 | Very low | 29.3 | Very low | 89 Ų | 89 | 42 Ų | 42 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | trans | -91.8 | -166.2 | 133.2 | -72 | -102.3 | 148.8 | 155.1 | -11.4 | 115.7 | N883 R1693 E1694 Y1695 D1696 N1697 | R801-N883 HydrophobicContact CB-CB 4.21Å; R801-N883 WeakPolarHBondContact CB-O 3.38Å; R801-N883 HydrophobicContact CG-CB 4.37Å; R801-N883 VanDerWaalsContact CG-O 3.22Å; R801-N883 WeakPolarHBondContact CG-O 3.21Å; R801-R1693 CarbonylContact C-O 3.11Å; R801-R1693 WeakPolarHBondContact CA-O 3.25Å; R801-R1693 HydrophobicContact CB-CG 4.43Å; R801-R1693 WeakPolarHBondContact CB-O 3.22Å; R801-R1693 WeakPolarHBondContact CD-O 3.19Å; R801-E1694 IonicContact CZ-OE1 2.71Å; R801-E1694 IonicContact NE-OE1 3.25Å; R801-E1694 PolarHBondContact NE-OE1 2.69Å; R801-E1694 IonicContact NH2-OE1 3.98Å; R801-E1694 PolarHBondContact NH2-OE1 2.95Å; R801-E1694 CarbonylContact O-C 3.6Å; R801-Y1695 CarbonylContact O-C 3.6Å; R801-Y1695 WeakPolarHBondContact O-CA 3.27Å; R801-Y1695 PolarHBondContact O-N 2.63Å; R801-D1696 PolarHBondContact O-N 2.96Å; R801-N1697 VanDerWaalsContact CA-CB 3.42Å; R801-N1697 HydrophobicContact CB-CB 3.68Å; R801-N1697 VanDerWaalsContact N-CB 3.29Å; R801-N1697 WeakPolarHBondContact O-CB 2.89Å; R801-N1697 PolarHBondContact O-N 3.25Å | ||
| 802 | K | 30.3 | Very low | 29.1 | Very low | 22 Ų | 22 | 45.8 Ų | 45.8 | 10% | 0.096 | 25% | 0.247 | C | C | . | . | trans | 75.4 | 97.9 | 174.1 | -65.9 | 171.1 | -158.7 | 176.6 | 0 | 123.5 | D881 N884 S885 K1692 R1693 D1696 N1697 | K802-D881 WeakPolarHBondContact CE-OD1 3.24Å; K802-D881 IonicContact NZ-OD1 2.71Å; K802-D881 PolarHBondContact NZ-OD1 2.75Å; K802-N884 WeakPolarHBondContact CA-O 3.4Å; K802-N884 WeakPolarHBondContact CG-O 3.43Å; K802-N884 PolarHBondContact N-O 3.07Å; K802-S885 VanDerWaalsContact CD-OG 3.31Å; K802-S885 WeakPolarHBondContact CD-OG 3.31Å; K802-S885 WeakPolarHBondContact CE-OG 3.25Å; K802-S885 WeakPolarHBondContact CG-OG 3.19Å; K802-K1692 CarbonylContact C-O 3.56Å; K802-R1693 VanDerWaalsContact N-C 3.28Å; K802-R1693 VanDerWaalsContact N-CA 3.35Å; K802-R1693 PolarHBondContact N-O 2.73Å; K802-D1696 HydrophobicContact CB-CB 3.56Å; K802-D1696 HydrophobicContact CD-CB 4.39Å; K802-D1696 HydrophobicContact CG-CB 4.49Å; K802-D1696 PolarHBondContact O-N 3.02Å; K802-N1697 HydrophobicContact CB-CB 4.14Å; K802-N1697 HydrophobicContact CD-CB 3.73Å; K802-N1697 WeakPolarHBondContact CE-OD1 3.17Å; K802-N1697 HydrophobicContact CG-CB 3.74Å; K802-N1697 PolarHBondContact NZ-OD1 2.99Å | ||
| 803 | N | 36 | Very low | 29 | Very low | 7 Ų | 7 | 49.7 Ų | 49.7 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | S | Bend | cis | -143.3 | 137.6 | 12.2 | -56.1 | -62.8 | 0 | 0 | 0 | 122.3 | F388 I389 S885 E886 E1689 K1692 R1693 | F388-N803 WeakPolarHBondContact CA-O 3.09Å; F388-N803 HydrophobicContact CB-CB 4.33Å; F388-N803 HydrophobicContact CD1-CB 3.83Å; F388-N803 WeakPolarHBondContact CD1-ND2 3.09Å; F388-N803 HydrophobicContact CD2-CB 4.01Å; F388-N803 HydrophobicContact CE1-CB 4.35Å; F388-N803 WeakPolarHBondContact CE1-ND2 3.19Å; F388-N803 HydrophobicContact CE2-CB 4.48Å; F388-N803 WeakPolarHBondContact CE2-ND2 3.21Å; F388-N803 HydrophobicContact CG-CB 3.73Å; F388-N803 WeakPolarHBondContact CZ-ND2 3.34Å; I389-N803 HydrophobicContact CD1-CB 3.27Å; I389-N803 HydrophobicContact CG1-CB 4.22Å; I389-N803 PolarHBondContact N-O 2.67Å; N803-S885 WeakPolarHBondContact CB-O 3.27Å; N803-S885 VanDerWaalsContact CG-C 3.46Å; N803-S885 WeakPolarHBondContact OD1-CA 3.45Å; N803-S885 WeakPolarHBondContact OD1-CB 3.09Å; N803-S885 PolarHBondContact OD1-N 3.48Å; N803-S885 PolarHBondContact OD1-O 2.59Å; N803-E886 PolarHBondContact OD1-N 2.91Å; N803-E1689 CarbonylContact C-O 2.91Å; N803-K1692 PolarHBondContact N-O 2.81Å; N803-R1693 VanDerWaalsContact C-CA 3.41Å; N803-R1693 VanDerWaalsContact CA-CB 3.43Å; N803-R1693 PolarHBondContact O-N 2.75Å |
| 804 | L | 30.3 | Very low | 28.8 | Very low | 20 Ų | 20 | 50.7 Ų | 50.7 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | trans | -91 | 136.7 | -147.5 | -56 | 173.4 | 0 | 0 | 0 | 116.5 | I389 N390 E1689 E1690 R1693 | I389-L804 VanDerWaalsContact CA-O 3.24Å; I389-L804 WeakPolarHBondContact CA-O 3.34Å; I389-L804 WeakPolarHBondContact CG1-O 2.9Å; N390-L804 PolarHBondContact OD1-O 2.64Å; L804-E1689 WeakPolarHBondContact CA-O 2.84Å; L804-E1689 PolarHBondContact N-O 3.33Å; L804-E1690 VanDerWaalsContact CB-OE1 3.27Å; L804-E1690 WeakPolarHBondContact CB-OE1 3.23Å; L804-E1690 VanDerWaalsContact CD1-OE1 3.24Å; L804-E1690 WeakPolarHBondContact CD1-OE1 3.35Å; L804-E1690 HydrophobicContact CD2-CB 4.31Å; L804-E1690 VanDerWaalsContact CD2-CD 3.46Å; L804-E1690 HydrophobicContact CD2-CG 3.55Å; L804-E1690 WeakPolarHBondContact CD2-OE1 3.31Å; L804-E1690 WeakPolarHBondContact CG-OE1 3.21Å; L804-R1693 HydrophobicContact CB-CB 3.52Å; L804-R1693 HydrophobicContact CB-CG 3.59Å; L804-R1693 HydrophobicContact CD2-CB 3.24Å; L804-R1693 HydrophobicContact CD2-CG 3.39Å; L804-R1693 HydrophobicContact CG-CB 3.45Å; L804-R1693 VanDerWaalsContact CG-CB 3.45Å; L804-R1693 VanDerWaalsContact CG-CD 3.42Å; L804-R1693 HydrophobicContact CG-CG 3.2Å; L804-R1693 PolarHBondContact O-NH2 3.39Å | ||
| 805 | H | 39 | Very low | 28.8 | Very low | 49 Ų | 49 | 54 Ų | 54 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | 162.1 | 139.3 | 93.4 | -133.1 | -37.7 | 0 | 0 | 0 | 104.8 | N390 K391 S1686 E1690 | N390-H805 CarbonylContact C-O 3.43Å; K391-H805 HydrophobicContact CB-CB 4.17Å; H805-S1686 CarbonylContact C-O 3.32Å; H805-S1686 CarbonylContact O-C 2.97Å; H805-E1690 VanDerWaalsContact CA-OE1 3.3Å; H805-E1690 WeakPolarHBondContact CA-OE1 3.31Å; H805-E1690 IonicContact CE1-OE1 3.9Å; H805-E1690 PolarHBondContact CE1-OE1 2.77Å; H805-E1690 IonicContact CE1-OE2 3.73Å; H805-E1690 IonicContact CG-OE1 2.63Å; H805-E1690 VanDerWaalsContact CG-OE1 3.27Å; H805-E1690 VanDerWaalsContact ND1-CD 3.31Å; H805-E1690 IonicContact ND1-OE1 2.8Å; H805-E1690 PolarHBondContact ND1-OE1 2.83Å; H805-E1690 IonicContact ND1-OE2 3.82Å; H805-E1690 PolarHBondContact ND1-OE2 2.63Å | |||
| 806 | H | 28 | Very low | 28.9 | Very low | 56 Ų | 56 | 59.4 Ų | 59.4 | 26% | 0.259 | 33% | 0.326 | S | S | . | . | cis | -131.2 | -153.2 | 11.3 | -178.7 | 17.8 | 0 | 0 | 0 | 111 | S1686 K1687 Y1688 E1690 | H806-S1686 PolarHBondContact N-O 3.29Å; H806-S1686 VanDerWaalsContact N-O 3.07Å; H806-K1687 CarbonylContact C-O 3.15Å; H806-K1687 HydrophobicContact CB-CB 4.39Å; H806-K1687 HydrophobicContact CB-CG 3.51Å; H806-K1687 VanDerWaalsContact N-CA 3.3Å; H806-K1687 CarbonylContact O-C 3.37Å; H806-K1687 WeakPolarHBondContact O-CA 3.35Å; H806-Y1688 VanDerWaalsContact O-CA 3.24Å; H806-Y1688 WeakPolarHBondContact O-CA 3.4Å; H806-Y1688 PolarHBondContact O-N 2.69Å; H806-E1690 WeakPolarHBondContact CA-OE2 3.3Å; H806-E1690 IonicContact CE1-OE1 3.55Å; H806-E1690 CovalentContact CE1-OE2 1.8Å; H806-E1690 IonicContact CE1-OE2 3.34Å; H806-E1690 PolarHBondContact CE1-OE2 3.32Å; H806-E1690 IonicContact CG-OE2 2.75Å; H806-E1690 IonicContact ND1-OE2 3.63Å; H806-E1690 PolarHBondContact ND1-OE2 2.87Å; H806-E1690 WeakPolarHBondContact O-CB 3.42Å; H806-E1690 PolarHBondContact O-N 3.46Å | ||
| 807 | D | 27.1 | Very low | 28.9 | Very low | 77 Ų | 77 | 60.5 Ų | 60.5 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | trans | -124.8 | 89.6 | -166.1 | 48.6 | -143.4 | 0 | 0 | 0 | 121.6 | K1687 E1690 | D807-K1687 VanDerWaalsContact C-CD 3.47Å; D807-K1687 VanDerWaalsContact C-NZ 3.35Å; D807-K1687 CarbonylContact C-O 3.56Å; D807-K1687 WeakPolarHBondContact CA-O 3.02Å; D807-K1687 WeakPolarHBondContact O-CE 3.11Å; D807-K1687 PolarHBondContact O-NZ 3.32Å; D807-K1687 WeakPolarHBondContact OD2-CE 3.08Å; D807-K1687 IonicContact OD2-NZ 2.7Å; D807-K1687 PolarHBondContact OD2-NZ 3.44Å; D807-E1690 HydrophobicContact CB-CB 4.38Å; D807-E1690 HydrophobicContact CB-CG 4.26Å | ||
| 808 | V | 38 | Very low | 29 | Very low | 12 Ų | 12 | 64.3 Ų | 64.3 | 7% | 0.073 | 36% | 0.361 | C | S | . | . | trans | -95 | 150.1 | -171.6 | 120.9 | 0 | 0 | 0 | 0 | 115.1 | L839 E840 T842 E1683 A1684 K1687 | V808-L839 VanDerWaalsContact CG2-C 3.44Å; V808-L839 WeakPolarHBondContact CG2-O 3.35Å; V808-E840 VanDerWaalsContact CG2-O 3.3Å; V808-E840 WeakPolarHBondContact CG2-O 3.44Å; V808-T842 HydrophobicContact CG1-CG2 3.45Å; V808-T842 VanDerWaalsContact CG1-CG2 3.45Å; V808-E1683 HydrophobicContact CG2-CB 4.23Å; V808-E1683 WeakPolarHBondContact CG2-O 3.3Å; V808-A1684 HydrophobicContact CG1-CB 3.7Å; V808-K1687 HydrophobicContact CB-CB 4.06Å; V808-K1687 HydrophobicContact CB-CD 4.07Å; V808-K1687 VanDerWaalsContact CB-O 3.26Å; V808-K1687 WeakPolarHBondContact CB-O 3.4Å; V808-K1687 HydrophobicContact CG2-CB 3.89Å; V808-K1687 HydrophobicContact CG2-CD 3.69Å; V808-K1687 HydrophobicContact CG2-CG 4.38Å; V808-K1687 PolarHBondContact N-O 2.71Å | ||
| 809 | H | 24.1 | Very low | 29.1 | Very low | 89 Ų | 89 | 71.9 Ų | 71.9 | 41% | 0.412 | 40% | 0.396 | S | S | . | . | trans | -169.2 | 90.8 | 140.3 | -122.5 | -79.7 | 0 | 0 | 0 | 119.1 | K688 E840 | K688-H809 WeakPolarHBondContact CD-NE2 3.24Å; K688-H809 WeakPolarHBondContact CE-NE2 3.34Å; K688-H809 PolarHBondContact NZ-CD2 2.69Å; K688-H809 VanDerWaalsContact NZ-CD2 3.29Å; K688-H809 PolarHBondContact NZ-NE2 2.8Å; H809-E840 VanDerWaalsContact C-OE2 3.28Å; H809-E840 WeakPolarHBondContact CA-OE1 3.36Å; H809-E840 PolarHBondContact N-OE1 3.22Å | ||
| 810 | A | 30.6 | Very low | 29 | Very low | 40 Ų | 40 | 70.4 Ų | 70.4 | 33% | 0.331 | 40% | 0.395 | S | S | . | . | trans | 27.5 | 102.9 | 147.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | E840 T842 | A810-E840 PolarHBondContact N-O 3.34Å; A810-E840 PolarHBondContact N-OE1 2.95Å; A810-E840 PolarHBondContact N-OE2 3.03Å; A810-T842 HydrophobicContact CB-CG2 3.88Å; A810-T842 WeakPolarHBondContact CB-OG1 3.43Å | ||
| 811 | S | 37.6 | Very low | 28.9 | Very low | 50 Ų | 50 | 72.1 Ų | 72.1 | 35% | 0.35 | 41% | 0.405 | S | S | . | . | cis | 46.9 | 133.7 | 37.1 | -72.5 | 0 | 0 | 0 | 0 | 115.3 | E840 R841 | S811-E840 WeakPolarHBondContact CB-OE2 3.39Å; S811-E840 PolarHBondContact N-OE2 3.07Å; S811-E840 PolarHBondContact OG-OE2 3.2Å; S811-R841 WeakPolarHBondContact O-CG 2.95Å | ||
| 812 | I | 34.5 | Very low | 28.8 | Very low | 105 Ų | 105 | 71.8 Ų | 71.8 | 54% | 0.538 | 41% | 0.412 | S | S | . | . | cis | -134.1 | 154.3 | -16 | -97.8 | 151 | 0 | 0 | 0 | 104.9 | ||||
| 813 | N | 26.3 | Very low | 28.4 | Very low | 122 Ų | 122 | 72.8 Ų | 72.8 | 65% | 0.652 | 42% | 0.42 | S | S | * | . | trans | -31.4 | 138 | 170.6 | -73.3 | -50.7 | 0 | 0 | 0 | 113.4 | ||||
| 814 | S | 24.4 | Very low | 27.6 | Very low | 87 Ų | 87 | 78.7 Ų | 78.7 | 61% | 0.608 | 45% | 0.448 | S | S | * | . | 59.9 | 142.9 | 51.8 | 108.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 815 | C | 24.8 | Very low | 27.3 | Very low | 97 Ų | 97 | 83.4 Ų | 83.4 | 66% | 0.655 | 47% | 0.469 | S | S | * | . | trans | 60.1 | 130.1 | -152.9 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | T2518 | C815-T2518 HydrophobicContact CB-CG2 3.52Š| ||
| 816 | I | 24.2 | Very low | 26.6 | Very low | 133 Ų | 133 | 84.3 Ų | 84.3 | 68% | 0.682 | 48% | 0.476 | S | S | * | . | cis | -145.3 | 165.2 | 13.1 | -122.1 | 153.7 | 0 | 0 | 0 | 110.5 | T2518 | I816-T2518 HydrophobicContact CD1-CG2 4.39Š| ||
| 817 | P | 24.1 | Very low | 26.5 | Very low | 101 Ų | 101 | 86 Ų | 86 | 66% | 0.656 | 49% | 0.485 | S | S | * | . | trans | -111.6 | -174.5 | -164.5 | 43.1 | -35.5 | 0 | 0 | 0 | 114.8 | ||||
| 818 | C | 26 | Very low | 26.4 | Very low | 97 Ų | 97 | 88.4 Ų | 88.4 | 66% | 0.655 | 49% | 0.49 | S | S | * | . | trans | 72.9 | 127.7 | 165 | -60.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 819 | E | 28.9 | Very low | 26 | Very low | 163 Ų | 163 | 90.6 Ų | 90.6 | 76% | 0.762 | 50% | 0.501 | S | S | * | . | cis | 88.5 | 91.7 | 43.8 | -69.4 | 171.1 | 129.6 | 0 | 0 | 114.4 | ||||
| 820 | S | 24.7 | Very low | 26.3 | Very low | 49 Ų | 49 | 89.8 Ų | 89.8 | 34% | 0.343 | 50% | 0.499 | S | S | . | . | trans | -171.4 | 101.4 | 150.1 | 13.3 | 0 | 0 | 0 | 0 | 118.4 | L1663 D1664 | S820-L1663 CarbonylContact O-C 3.35Å; S820-L1663 WeakPolarHBondContact OG-CD2 3.43Å; S820-D1664 PolarHBondContact O-N 3.29Å | ||
| 821 | T | 24.4 | Very low | 26.1 | Very low | 50 Ų | 50 | 90.2 Ų | 90.2 | 31% | 0.307 | 49% | 0.494 | S | S | . | . | trans | 75.1 | 106.8 | 133.7 | 54.7 | 0 | 0 | 0 | 0 | 126.9 | L1660 D1664 | T821-L1660 CarbonylContact O-C 3.33Å; T821-L1660 WeakPolarHBondContact OG1-CB 3.25Å; T821-L1660 VanDerWaalsContact OG1-CD2 3.27Å; T821-L1660 WeakPolarHBondContact OG1-CD2 2.88Å; T821-L1660 PolarHBondContact OG1-O 2.89Å; T821-D1664 VanDerWaalsContact C-OD1 3.28Å; T821-D1664 WeakPolarHBondContact CA-OD1 3.32Å; T821-D1664 PolarHBondContact N-OD1 3.12Å; T821-D1664 WeakPolarHBondContact O-CA 3.45Å; T821-D1664 VanDerWaalsContact O-CB 3.25Å; T821-D1664 WeakPolarHBondContact O-CB 3.24Å; T821-D1664 PolarHBondContact O-N 2.73Å | ||
| 822 | T | 21 | Very low | 25.6 | Very low | 81 Ų | 81 | 91.3 Ų | 91.3 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | trans | 68.1 | 70.1 | 146.1 | 56.8 | 0 | 0 | 0 | 0 | 125.3 | S1661 D1664 | T822-S1661 VanDerWaalsContact O-CA 3.3Å; T822-S1661 WeakPolarHBondContact O-CA 3.39Å; T822-S1661 VanDerWaalsContact O-CB 3.28Å; T822-S1661 WeakPolarHBondContact O-CB 3.44Å; T822-S1661 PolarHBondContact O-OG 2.79Å; T822-S1661 VanDerWaalsContact OG1-CA 3.29Å; T822-S1661 WeakPolarHBondContact OG1-CA 3.13Å; T822-S1661 PolarHBondContact OG1-N 3.23Å; T822-D1664 PolarHBondContact N-OD2 3.35Å | ||
| 823 | V | 22.2 | Very low | 25.3 | Very low | 44 Ų | 44 | 89 Ų | 89 | 27% | 0.267 | 49% | 0.487 | S | S | . | . | trans | 178.7 | -164.8 | 154.3 | 146.2 | 0 | 0 | 0 | 0 | 109.6 | D1664 T1665 | V823-D1664 CarbonylContact C-O 3.53Å; V823-D1664 VanDerWaalsContact CA-O 3.25Å; V823-D1664 WeakPolarHBondContact CA-O 3.4Å; V823-D1664 WeakPolarHBondContact CB-O 3.06Å; V823-D1664 WeakPolarHBondContact CG1-O 3.4Å; V823-D1664 PolarHBondContact N-O 3.19Å; V823-T1665 HydrophobicContact CB-CG2 3.89Å; V823-T1665 HydrophobicContact CG1-CG2 3.17Å | ||
| 824 | Q | 20.1 | Very low | 25.4 | Very low | 131 Ų | 131 | 86 Ų | 86 | 61% | 0.612 | 47% | 0.473 | S | S | * | . | -160.8 | 176.9 | -123.5 | -71.3 | 159.8 | -87.8 | 0 | 0 | 109.9 | Q1668 | Q824-Q1668 VanDerWaalsContact C-NE2 3.29Å; Q824-Q1668 VanDerWaalsContact N-OE1 3.13Å; Q824-Q1668 PolarHBondContact O-NE2 2.68Å; Q824-Q1668 PolarHBondContact O-OE1 3.45Å | |||
| 825 | E | 22.9 | Very low | 25.6 | Very low | 119 Ų | 119 | 84.5 Ų | 84.5 | 56% | 0.556 | 46% | 0.461 | S | S | * | . | trans | 79.8 | 110.4 | 162.4 | -62.4 | -113.7 | 115.5 | 0 | 0 | 118.6 | Q1668 K1907 | E825-Q1668 PolarHBondContact O-NE2 2.74Å; E825-Q1668 VanDerWaalsContact O-NE2 3.07Å; E825-K1907 WeakPolarHBondContact O-CG 3.38Å | ||
| 826 | N | 24.3 | Very low | 26.2 | Very low | 68 Ų | 68 | 85.3 Ų | 85.3 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | 70.8 | 175.8 | 124.7 | -58.8 | -16.9 | 0 | 0 | 0 | 117.2 | K1907 E1911 | N826-K1907 CarbonylContact O-C 3.35Å; N826-K1907 WeakPolarHBondContact O-CA 3.4Å; N826-K1907 VanDerWaalsContact O-CB 3.23Å; N826-K1907 WeakPolarHBondContact O-CB 3.24Å; N826-K1907 VanDerWaalsContact O-CG 3.24Å; N826-K1907 WeakPolarHBondContact O-CG 2.89Å; N826-E1911 VanDerWaalsContact O-CG 3.27Å; N826-E1911 WeakPolarHBondContact O-CG 3.45Å; N826-E1911 VanDerWaalsContact O-OE1 3.08Å | |||
| 827 | I | 26.7 | Very low | 26.3 | Very low | 90 Ų | 90 | 83.4 Ų | 83.4 | 46% | 0.462 | 45% | 0.449 | S | S | . | . | cis | -135.4 | 93.6 | -38.4 | -110.3 | 164.2 | 0 | 0 | 0 | 114.2 | N829 E1911 | I827-N829 PolarHBondContact O-N 3.25Å; I827-E1911 VanDerWaalsContact C-OE2 3.31Å; I827-E1911 WeakPolarHBondContact CA-OE1 3.44Å; I827-E1911 VanDerWaalsContact N-CD 3.31Å; I827-E1911 PolarHBondContact N-OE1 2.7Å | ||
| 828 | Y | 25.6 | Very low | 26.6 | Very low | 129 Ų | 129 | 80.1 Ų | 80.1 | 51% | 0.506 | 43% | 0.425 | S | S | . | . | trans | 55.1 | -64.1 | 154.7 | -52.6 | 168.1 | 0 | 0 | 0 | 121.8 | E1911 | Y828-E1911 VanDerWaalsContact CA-OE2 3.25Å; Y828-E1911 WeakPolarHBondContact CA-OE2 3.08Å; Y828-E1911 PolarHBondContact N-OE1 3.23Å; Y828-E1911 PolarHBondContact N-OE2 2.75Å | ||
| 829 | N | 28.5 | Very low | 26.9 | Very low | 58 Ų | 58 | 77.9 Ų | 77.9 | 31% | 0.31 | 41% | 0.406 | S | S | . | . | trans | -92.4 | 128.5 | -154 | -49.8 | -52.9 | 0 | 0 | 0 | 107.5 | I827 E1911 | I827-N829 PolarHBondContact O-N 3.25Å; N829-E1911 PolarHBondContact N-OE2 2.67Å | ||
| 830 | I | 31 | Very low | 26.8 | Very low | 72 Ų | 72 | 73 Ų | 73 | 37% | 0.369 | 38% | 0.383 | S | S | . | . | -175.5 | 120.5 | 59.5 | -89.8 | 118.9 | 0 | 0 | 0 | 104 | D415 T2549 L2550 | D415-I830 WeakPolarHBondContact OD2-CG1 3.14Å; I830-T2549 HydrophobicContact CG1-CG2 4.26Å; I830-T2549 HydrophobicContact CG2-CG2 3.77Å; I830-L2550 HydrophobicContact CG2-CD1 3.53Å; I830-L2550 HydrophobicContact CG2-CG 4.36Å | |||
| 831 | Q | 26.6 | Very low | 26.6 | Very low | 49 Ų | 49 | 72.7 Ų | 72.7 | 23% | 0.229 | 38% | 0.375 | C | S | . | . | cis | 69.4 | 80.9 | 37.6 | -41 | 164.7 | 129.4 | 0 | 0 | 112.7 | D415 C416 | D415-Q831 WeakPolarHBondContact CA-O 3.28Å; D415-Q831 WeakPolarHBondContact CB-O 3.17Å; D415-Q831 VanDerWaalsContact CG-O 3.27Å; D415-Q831 PolarHBondContact N-O 3.13Å; D415-Q831 WeakPolarHBondContact OD1-CB 3.09Å; D415-Q831 PolarHBondContact OD1-NE2 3.4Å; C416-Q831 VanDerWaalsContact C-OE1 3.31Å; C416-Q831 PolarHBondContact SG-NE2 2.84Å | ||
| 832 | E | 26.8 | Very low | 26.7 | Very low | 72 Ų | 72 | 72.6 Ų | 72.6 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | trans | -156.2 | 175.9 | 142.9 | -62.6 | -158 | 76 | 0 | 0 | 107.6 | N413 N414 T2549 L2550 | N413-E832 CarbonylContact O-C 3.49Å; N413-E832 WeakPolarHBondContact O-CA 2.81Å; N414-E832 WeakPolarHBondContact CA-OE1 3.3Å; N414-E832 PolarHBondContact N-OE1 2.73Å; E832-T2549 PolarHBondContact OE2-OG1 2.68Å; E832-L2550 HydrophobicContact CB-CD1 3.34Å; E832-L2550 HydrophobicContact CB-CD2 4.12Å; E832-L2550 HydrophobicContact CB-CG 4.38Å; E832-L2550 HydrophobicContact CG-CD1 3.38Å | ||
| 833 | S | 27.4 | Very low | 27.1 | Very low | 56 Ų | 56 | 69.7 Ų | 69.7 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | trans | 46.2 | 97 | 147.4 | 59 | 0 | 0 | 0 | 0 | 115.7 | N413 L2550 | N413-S833 PolarHBondContact O-N 2.68Å; S833-L2550 WeakPolarHBondContact OG-CD2 3.03Å | ||
| 834 | V | 29.5 | Very low | 27 | Very low | 59 Ų | 59 | 68.7 Ų | 68.7 | 36% | 0.358 | 35% | 0.352 | S | S | . | . | cis | 55 | 126.1 | 31.4 | -160.8 | 0 | 0 | 0 | 0 | 109.3 | D412 N413 | D412-V834 HydrophobicContact CB-CB 4.17Å; D412-V834 HydrophobicContact CB-CG1 3.93Å; D412-V834 WeakPolarHBondContact OD1-CG1 3.01Å; N413-V834 HydrophobicContact CB-CB 3.93Å; N413-V834 HydrophobicContact CB-CG1 3.95Å; N413-V834 HydrophobicContact CB-CG2 4.09Å | ||
| 835 | P | 27.2 | Very low | 27.1 | Very low | 56 Ų | 56 | 62.4 Ų | 62.4 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | cis | -114.3 | -129.9 | 28 | 17.5 | 7.9 | 0 | 0 | 0 | 113.8 | D412 | D412-P835 HydrophobicContact CB-CB 4.31Å; D412-P835 HydrophobicContact CB-CG 3.9Å; D412-P835 VanDerWaalsContact OD2-CB 3.29Å; D412-P835 WeakPolarHBondContact OD2-CB 3.37Å; D412-P835 VanDerWaalsContact OD2-CG 3.25Å; D412-P835 WeakPolarHBondContact OD2-CG 3.26Å | ||
| 836 | N | 39 | Very low | 27.2 | Very low | 114 Ų | 114 | 56.8 Ų | 56.8 | 61% | 0.61 | 30% | 0.297 | S | S | * | . | 37.8 | 142.6 | 89.1 | -56.5 | -28.4 | 0 | 0 | 0 | 116.2 | |||||
| 837 | I | 26.6 | Very low | 27.6 | Very low | 94 Ų | 94 | 53.8 Ų | 53.8 | 48% | 0.482 | 28% | 0.281 | S | S | . | . | cis | -83.9 | 132.3 | -16.9 | -57.7 | 177 | 0 | 0 | 0 | 106.9 | L839 | I837-L839 HydrophobicContact CG2-CG 4.36Š| ||
| 838 | Q | 28.9 | Very low | 27.6 | Very low | 32 Ų | 32 | 49.5 Ų | 49.5 | 15% | 0.15 | 26% | 0.259 | C | S | . | . | trans | -43.3 | 172.9 | 162.9 | -152.4 | 176.1 | 6.7 | 0 | 0 | 109.3 | G848 E1683 S1686 K1687 | Q838-G848 PolarHBondContact NE2-O 2.7Å; Q838-E1683 HydrophobicContact CG-CG 4.4Å; Q838-S1686 PolarHBondContact NE2-OG 2.76Å; Q838-S1686 VanDerWaalsContact NE2-OG 3.1Å; Q838-K1687 HydrophobicContact CG-CB 4.36Å; Q838-K1687 HydrophobicContact CG-CG 4.29Å | ||
| 839 | L | 33.3 | Very low | 27.7 | Very low | 49 Ų | 49 | 43.7 Ų | 43.7 | 26% | 0.257 | 24% | 0.238 | S | C | . | . | 179.3 | 14.7 | 87.7 | -75.9 | 179.7 | 0 | 0 | 0 | 111.7 | V808 I837 E1683 K1687 | V808-L839 VanDerWaalsContact CG2-C 3.44Å; V808-L839 WeakPolarHBondContact CG2-O 3.35Å; I837-L839 HydrophobicContact CG2-CG 4.36Å; L839-E1683 VanDerWaalsContact N-CG 3.33Å; L839-E1683 PolarHBondContact N-OE1 2.84Å; L839-K1687 HydrophobicContact CB-CD 3.81Å; L839-K1687 HydrophobicContact CD2-CD 3.64Å; L839-K1687 HydrophobicContact CD2-CG 3.79Å; L839-K1687 HydrophobicContact CG-CD 4.26Å; L839-K1687 WeakPolarHBondContact O-CD 3.32Å; L839-K1687 WeakPolarHBondContact O-CE 2.8Å; L839-K1687 PolarHBondContact O-NZ 3.41Å | |||
| 840 | E | 25.3 | Very low | 27.9 | Very low | 60 Ų | 60 | 41.4 Ų | 41.4 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -138.4 | -68.4 | -165.3 | -106.7 | -62.2 | 93.6 | 0 | 0 | 118.3 | V808 H809 A810 S811 T842 E1683 | V808-E840 VanDerWaalsContact CG2-O 3.3Å; V808-E840 WeakPolarHBondContact CG2-O 3.44Å; H809-E840 VanDerWaalsContact C-OE2 3.28Å; H809-E840 WeakPolarHBondContact CA-OE1 3.36Å; H809-E840 PolarHBondContact N-OE1 3.22Å; A810-E840 PolarHBondContact N-O 3.34Å; A810-E840 PolarHBondContact N-OE1 2.95Å; A810-E840 PolarHBondContact N-OE2 3.03Å; S811-E840 WeakPolarHBondContact CB-OE2 3.39Å; S811-E840 PolarHBondContact N-OE2 3.07Å; S811-E840 PolarHBondContact OG-OE2 3.2Å; E840-T842 PolarHBondContact O-N 2.75Å; E840-E1683 WeakPolarHBondContact CA-OE1 3.42Å; E840-E1683 PolarHBondContact N-OE1 2.94Å |
| 841 | R | 21.7 | Very low | 28.3 | Very low | 44 Ų | 44 | 39.2 Ų | 39.2 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -69.3 | 100.4 | -159.1 | -145.6 | 171.2 | -168.5 | 166.5 | 4 | 113.7 | S811 R843 E1683 | S811-R841 WeakPolarHBondContact O-CG 2.95Å; R841-R843 WeakPolarHBondContact O-CG 3Å; R841-R843 PolarHBondContact O-N 2.77Å; R841-E1683 WeakPolarHBondContact CA-OE2 3.45Å; R841-E1683 WeakPolarHBondContact CB-OE2 3.34Å; R841-E1683 PolarHBondContact N-OE1 2.81Å; R841-E1683 PolarHBondContact N-OE2 3.2Å |
| 842 | T | 27 | Very low | 28.4 | Very low | 48 Ų | 48 | 37.3 Ų | 37.3 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | trans | -62.3 | 100.9 | 178.3 | 64.4 | 0 | 0 | 0 | 0 | 110.8 | V808 A810 E840 A1684 | V808-T842 HydrophobicContact CG1-CG2 3.45Å; V808-T842 VanDerWaalsContact CG1-CG2 3.45Å; A810-T842 HydrophobicContact CB-CG2 3.88Å; A810-T842 WeakPolarHBondContact CB-OG1 3.43Å; E840-T842 PolarHBondContact O-N 2.75Å; T842-A1684 HydrophobicContact CG2-CB 4.11Å | ||
| 843 | R | 29.5 | Very low | 28.7 | Very low | 20 Ų | 20 | 35.4 Ų | 35.4 | 8% | 0.075 | 20% | 0.199 | C | C | . | . | 51.3 | 118.3 | 61.3 | -56.3 | -110.8 | -81.4 | -148.2 | 137.4 | 111.8 | R841 S845 G849 P850 L851 A1681 K1682 E1683 A1684 | R841-R843 WeakPolarHBondContact O-CG 3Å; R841-R843 PolarHBondContact O-N 2.77Å; R843-S845 PolarHBondContact O-N 2.84Å; R843-G849 WeakPolarHBondContact CD-O 3.43Å; R843-G849 PolarHBondContact NE-O 3.14Å; R843-G849 PolarHBondContact NH1-O 3.06Å; R843-G849 VanDerWaalsContact NH2-C 3.32Å; R843-P850 VanDerWaalsContact NE-N 3.14Å; R843-L851 VanDerWaalsContact CA-CB 3.49Å; R843-L851 HydrophobicContact CB-CB 4.1Å; R843-L851 VanDerWaalsContact CB-N 3.35Å; R843-L851 HydrophobicContact CG-CB 3.99Å; R843-A1681 WeakPolarHBondContact CD-O 3.25Å; R843-A1681 HydrophobicContact CG-CB 4.19Å; R843-K1682 VanDerWaalsContact CD-C 3.44Å; R843-K1682 PolarHBondContact NH1-O 3.39Å; R843-K1682 VanDerWaalsContact NH2-CG 3.33Å; R843-K1682 PolarHBondContact NH2-O 3.15Å; R843-E1683 HydrophobicContact CG-CB 4.13Å; R843-E1683 VanDerWaalsContact CZ-C 3.47Å; R843-A1684 HydrophobicContact CB-CB 3.37Å; R843-A1684 VanDerWaalsContact CB-N 3.33Å; R843-A1684 VanDerWaalsContact CD-N 3.33Å; R843-A1684 HydrophobicContact CG-CB 4.07Å | |||
| 844 | G | 19.9 | Very low | 29 | Very low | 22 Ų | 22 | 35.1 Ų | 35.1 | 23% | 0.227 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -74.8 | 46.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S674 S687 | S674-G844 WeakPolarHBondContact CB-O 3.39Å; S674-G844 VanDerWaalsContact OG-C 3.23Å; S674-G844 PolarHBondContact OG-O 2.95Å; S687-G844 CarbonylContact O-C 3.53Å; S687-G844 WeakPolarHBondContact O-CA 3.18Å; S687-G844 VanDerWaalsContact O-O 3.06Å |
| 845 | S | 22.4 | Very low | 29 | Very low | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -139.7 | 153.1 | 165 | -76.7 | 0 | 0 | 0 | 0 | 106.6 | D673 S674 P686 S687 R843 P850 A1684 V1685 | D673-S845 PolarHBondContact O-OG 2.96Å; S674-S845 WeakPolarHBondContact CB-OG 3.28Å; P686-S845 WeakPolarHBondContact CD-OG 3.43Å; S687-S845 PolarHBondContact O-N 2.96Å; R843-S845 PolarHBondContact O-N 2.84Å; S845-P850 WeakPolarHBondContact CB-O 3.36Å; S845-P850 PolarHBondContact N-O 3.46Å; S845-P850 PolarHBondContact OG-O 3.01Å; S845-A1684 CarbonylContact C-O 3.05Å; S845-A1684 WeakPolarHBondContact CA-O 2.94Å; S845-A1684 WeakPolarHBondContact CB-O 3.43Å; S845-A1684 VanDerWaalsContact O-CB 3.28Å; S845-A1684 WeakPolarHBondContact O-CB 3.32Å; S845-A1684 VanDerWaalsContact O-O 3.13Å; S845-V1685 VanDerWaalsContact CB-N 3.34Å; S845-V1685 WeakPolarHBondContact OG-CG2 3.11Å | ||
| 846 | G | 24.3 | Very low | 29.2 | Very low | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | cis | 87.8 | 61.4 | 16.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P686 A1684 V1685 | P686-G846 WeakPolarHBondContact CD-O 3.16Å; P686-G846 WeakPolarHBondContact CG-O 3.45Å; G846-A1684 CarbonylContact C-O 3.15Å; G846-A1684 WeakPolarHBondContact CA-O 3.39Å; G846-A1684 PolarHBondContact N-O 3.11Å; G846-V1685 WeakPolarHBondContact O-CA 3.35Å; G846-V1685 WeakPolarHBondContact O-CB 2.88Å; G846-V1685 VanDerWaalsContact O-CG1 3.27Å; G846-V1685 WeakPolarHBondContact O-CG1 3.2Å; G846-V1685 WeakPolarHBondContact O-CG2 3.34Å; G846-V1685 PolarHBondContact O-N 2.83Å |
| 847 | V | 32.1 | Very low | 28.5 | Very low | 6 Ų | 6 | 26.8 Ų | 26.8 | 4% | 0.036 | 15% | 0.146 | C | C | . | . | S | Bend | trans | 86.6 | 18.9 | 157.2 | -131.6 | 0 | 0 | 0 | 0 | 114.2 | H386 P686 A1684 V1685 S1686 Y1688 E1689 K1692 | H386-V847 HydrophobicContact CB-CG2 3.92Å; P686-V847 HydrophobicContact CG-CG2 4.17Å; V847-A1684 CarbonylContact C-O 2.88Å; V847-A1684 PolarHBondContact N-O 3.38Å; V847-V1685 CarbonylContact C-O 3.6Å; V847-V1685 HydrophobicContact CB-CG1 4.44Å; V847-V1685 CarbonylContact O-C 3.54Å; V847-V1685 VanDerWaalsContact O-CA 3.22Å; V847-V1685 WeakPolarHBondContact O-CA 3.27Å; V847-S1686 CarbonylContact O-C 2.97Å; V847-S1686 VanDerWaalsContact O-C 3.3Å; V847-S1686 PolarHBondContact O-N 2.83Å; V847-Y1688 VanDerWaalsContact C-C 3.43Å; V847-Y1688 VanDerWaalsContact CA-CD2 3.48Å; V847-Y1688 HydrophobicContact CB-CD1 4.16Å; V847-Y1688 HydrophobicContact CB-CE1 4.36Å; V847-Y1688 HydrophobicContact CB-CG 4.23Å; V847-Y1688 VanDerWaalsContact CG1-C 3.41Å; V847-Y1688 HydrophobicContact CG1-CD1 3.75Å; V847-Y1688 HydrophobicContact CG1-CE1 4.03Å; V847-Y1688 HydrophobicContact CG1-CG 4.24Å; V847-Y1688 WeakPolarHBondContact CG1-O 3Å; V847-Y1688 HydrophobicContact CG2-CD1 4.37Å; V847-Y1688 HydrophobicContact CG2-CE1 4.06Å; V847-Y1688 HydrophobicContact CG2-CE2 4.45Å; V847-Y1688 CarbonylContact O-C 2.88Å; V847-Y1688 WeakPolarHBondContact O-CA 3.16Å; V847-Y1688 PolarHBondContact O-N 2.71Å; V847-E1689 VanDerWaalsContact C-N 3.34Å; V847-E1689 HydrophobicContact CB-CG 3.7Å; V847-E1689 HydrophobicContact CG1-CB 4.12Å; V847-E1689 HydrophobicContact CG1-CG 3.32Å; V847-E1689 VanDerWaalsContact O-CG 3.3Å; V847-E1689 WeakPolarHBondContact O-CG 2.67Å; V847-E1689 PolarHBondContact O-N 3.35Å; V847-K1692 HydrophobicContact CG1-CB 3.82Å |
| 848 | G | 26.3 | Very low | 28.3 | Very low | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | 102.8 | 0 | 178.6 | 0 | 0 | 0 | 0 | 0 | 142.9 | Q838 E1683 A1684 S1686 K1687 | Q838-G848 PolarHBondContact NE2-O 2.7Å; G848-E1683 CarbonylContact C-O 3.59Å; G848-E1683 CarbonylContact O-C 3.23Å; G848-A1684 VanDerWaalsContact C-N 3.27Å; G848-A1684 WeakPolarHBondContact CA-O 3.3Å; G848-A1684 PolarHBondContact N-O 3.24Å; G848-S1686 VanDerWaalsContact C-CA 3.43Å; G848-S1686 CarbonylContact O-C 3.54Å; G848-S1686 WeakPolarHBondContact O-CA 3.27Å; G848-S1686 PolarHBondContact O-N 2.73Å; G848-K1687 WeakPolarHBondContact O-CA 3.32Å; G848-K1687 WeakPolarHBondContact O-CB 3.47Å; G848-K1687 PolarHBondContact O-N 3.11Å |
| 849 | G | 27.7 | Very low | 28.3 | Very low | 7 Ų | 7 | 31 Ų | 31 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | S | Bend | 0 | 149.2 | 0 | 0 | 0 | 0 | 0 | 0 | 119 | R843 A1684 V1685 | R843-G849 WeakPolarHBondContact CD-O 3.43Å; R843-G849 PolarHBondContact NE-O 3.14Å; R843-G849 PolarHBondContact NH1-O 3.06Å; R843-G849 VanDerWaalsContact NH2-C 3.32Å; G849-A1684 VanDerWaalsContact N-C 3.26Å; G849-A1684 VanDerWaalsContact N-CA 3.34Å; G849-A1684 CarbonylContact O-C 3.33Å; G849-A1684 WeakPolarHBondContact O-CA 3.18Å; G849-A1684 PolarHBondContact O-N 3.3Å; G849-V1685 VanDerWaalsContact N-CA 3.31Å; G849-V1685 PolarHBondContact O-N 3.16Å | |
| 850 | P | 34.5 | Very low | 28 | Very low | 9 Ų | 9 | 32.4 Ų | 32.4 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | trans | -51.8 | 162.9 | -151.4 | 25.7 | -35.7 | 0 | 0 | 0 | 117.9 | D673 S674 R843 S845 P852 K1682 | D673-P850 VanDerWaalsContact CA-CG 3.48Å; D673-P850 HydrophobicContact CB-CG 4.45Å; S674-P850 WeakPolarHBondContact CB-O 3.14Å; S674-P850 VanDerWaalsContact OG-C 3.22Å; S674-P850 PolarHBondContact OG-O 2.79Å; S674-P850 VanDerWaalsContact OG-O 3.07Å; R843-P850 VanDerWaalsContact NE-N 3.14Å; S845-P850 WeakPolarHBondContact CB-O 3.36Å; S845-P850 PolarHBondContact N-O 3.46Å; S845-P850 PolarHBondContact OG-O 3.01Å; P850-P852 VanDerWaalsContact CB-CD 3.47Å; P850-P852 HydrophobicContact CB-CG 3.6Å; P850-P852 HydrophobicContact CG-CG 4.09Å; P850-K1682 HydrophobicContact CB-CD 4.13Å; P850-K1682 HydrophobicContact CB-CG 4.07Å | ||
| 851 | L | 38.8 | Very low | 28.2 | Very low | 27 Ų | 27 | 32.9 Ų | 32.9 | 14% | 0.141 | 20% | 0.195 | C | C | . | . | cis | 4.4 | 99.3 | 33.6 | -99 | -175.5 | 0 | 0 | 0 | 115.4 | S674 R843 A1681 | S674-L851 PolarHBondContact OG-N 3.26Å; S674-L851 VanDerWaalsContact OG-N 3.1Å; R843-L851 VanDerWaalsContact CA-CB 3.49Å; R843-L851 HydrophobicContact CB-CB 4.1Å; R843-L851 VanDerWaalsContact CB-N 3.35Å; R843-L851 HydrophobicContact CG-CB 3.99Å; L851-A1681 CarbonylContact C-O 3.04Å; L851-A1681 HydrophobicContact CB-CB 3.72Å; L851-A1681 WeakPolarHBondContact CB-O 3.12Å; L851-A1681 HydrophobicContact CD1-CB 3.36Å; L851-A1681 HydrophobicContact CG-CB 4.11Å | ||
| 852 | P | 29.3 | Very low | 28.6 | Very low | 9 Ų | 9 | 38.3 Ų | 38.3 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | trans | -105.9 | 153.8 | 132.8 | -25.1 | 46.9 | 0 | 0 | 0 | 109.6 | S674 P675 H676 P850 | S674-P852 VanDerWaalsContact CB-CD 3.44Å; S674-P852 WeakPolarHBondContact O-CD 3.38Å; S674-P852 WeakPolarHBondContact O-CG 3.21Å; S674-P852 WeakPolarHBondContact OG-CD 3.5Å; P675-P852 CarbonylContact C-O 3.56Å; H676-P852 VanDerWaalsContact CE1-CB 3.44Å; H676-P852 WeakPolarHBondContact CE1-CB 3.03Å; H676-P852 PolarHBondContact N-O 2.67Å; H676-P852 WeakPolarHBondContact ND1-CB 3.45Å; P850-P852 VanDerWaalsContact CB-CD 3.47Å; P850-P852 HydrophobicContact CB-CG 3.6Å; P850-P852 HydrophobicContact CG-CG 4.09Å | ||
| 853 | L | 31.9 | Very low | 28.8 | Very low | 32 Ų | 32 | 41.2 Ų | 41.2 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | cis | 91.5 | -141.8 | 31.7 | -57.9 | 154.9 | 0 | 0 | 0 | 113.6 | H676 Q677 S1675 K1678 L1915 Q1919 | H676-L853 CarbonylContact C-O 2.95Å; H676-L853 WeakPolarHBondContact CA-O 3.43Å; Q677-L853 WeakPolarHBondContact CB-O 3.31Å; Q677-L853 PolarHBondContact N-O 3.14Å; L853-S1675 VanDerWaalsContact CD2-OG 3.3Å; L853-S1675 WeakPolarHBondContact CD2-OG 3.12Å; L853-K1678 HydrophobicContact CD1-CB 4.4Å; L853-K1678 HydrophobicContact CD2-CB 3.54Å; L853-K1678 HydrophobicContact CD2-CD 3.68Å; L853-K1678 HydrophobicContact CD2-CG 4.29Å; L853-K1678 HydrophobicContact CG-CB 3.87Å; L853-K1678 HydrophobicContact CG-CD 4.23Å; L853-L1915 HydrophobicContact CD2-CD2 3.86Å; L853-Q1919 VanDerWaalsContact N-OE1 3.09Å | ||
| 854 | K | 34.8 | Very low | 28.8 | Very low | 49 Ų | 49 | 43.8 Ų | 43.8 | 21% | 0.213 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -68.1 | -167.6 | -157.9 | -67.7 | 173 | 173.1 | 175.6 | 0 | 114.3 | C416 N417 H676 Q677 | C416-K854 PolarHBondContact O-NZ 3.35Å; N417-K854 VanDerWaalsContact C-NZ 3.3Å; N417-K854 WeakPolarHBondContact O-CD 3.48Å; N417-K854 WeakPolarHBondContact O-CE 3.17Å; N417-K854 PolarHBondContact O-NZ 2.7Å; H676-K854 CarbonylContact C-O 2.64Å; H676-K854 WeakPolarHBondContact CA-O 3.41Å; H676-K854 WeakPolarHBondContact CB-O 3.28Å; H676-K854 PolarHBondContact CD2-O 2.75Å; H676-K854 VanDerWaalsContact CD2-O 3.3Å; H676-K854 PolarHBondContact ND1-O 2.78Å; Q677-K854 WeakPolarHBondContact CB-O 3.41Å; Q677-K854 PolarHBondContact N-O 2.75Å |
| 855 | N | 29.5 | Very low | 29.2 | Very low | 14 Ų | 14 | 50.8 Ų | 50.8 | 8% | 0.075 | 28% | 0.279 | C | S | . | . | trans | -64.5 | 134.2 | -146.9 | -67.8 | 31.8 | 0 | 0 | 0 | 121.3 | H676 Q677 R679 E680 R681 R682 | H676-N855 PolarHBondContact CD2-O 2.7Å; Q677-N855 PolarHBondContact NE2-OD1 3.46Å; Q677-N855 VanDerWaalsContact O-CA 3.29Å; Q677-N855 WeakPolarHBondContact O-CA 3.39Å; R679-N855 WeakPolarHBondContact O-CB 3.36Å; R679-N855 PolarHBondContact O-ND2 2.79Å; E680-N855 CarbonylContact C-O 3.07Å; E680-N855 HydrophobicContact CB-CB 3.48Å; E680-N855 VanDerWaalsContact CB-CB 3.48Å; E680-N855 WeakPolarHBondContact CB-ND2 3.13Å; E680-N855 CarbonylContact O-C 3.26Å; E680-N855 VanDerWaalsContact O-CB 3.31Å; E680-N855 WeakPolarHBondContact O-CB 3.43Å; E680-N855 PolarHBondContact OE2-ND2 2.8Å; R681-N855 PolarHBondContact N-O 2.74Å; R682-N855 PolarHBondContact N-O 3.47Å | ||
| 856 | A | 29.6 | Very low | 29.3 | Very low | 18 Ų | 18 | 58 Ų | 58 | 15% | 0.149 | 31% | 0.313 | C | S | . | . | trans | -157.4 | 62.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | P675 H676 K678 R679 R681 R682 L1926 | P675-A856 HydrophobicContact CB-CB 4.44Å; H676-A856 HydrophobicContact CB-CB 3.09Å; K678-A856 CarbonylContact O-C 2.53Å; K678-A856 WeakPolarHBondContact O-CA 3.16Å; K678-A856 PolarHBondContact O-N 3.41Å; R679-A856 PolarHBondContact O-N 3.38Å; R681-A856 VanDerWaalsContact N-CA 3.3Å; R682-A856 WeakPolarHBondContact O-CB 3.31Å; A856-L1926 WeakPolarHBondContact O-CD1 3.31Å | ||
| 857 | S | 24.5 | Very low | 29.3 | Very low | 23 Ų | 23 | 64.4 Ų | 64.4 | 16% | 0.161 | 35% | 0.346 | C | S | . | . | trans | -80.1 | 160 | 145.6 | 70.4 | 0 | 0 | 0 | 0 | 107.5 | K678 R679 E680 R681 | K678-S857 PolarHBondContact O-N 2.77Å; R679-S857 VanDerWaalsContact C-N 3.28Å; R679-S857 VanDerWaalsContact CA-CB 3.45Å; R679-S857 VanDerWaalsContact CA-OG 3.25Å; R679-S857 WeakPolarHBondContact CA-OG 2.88Å; E680-S857 PolarHBondContact N-OG 2.73Å; E680-S857 VanDerWaalsContact N-OG 3.09Å; R681-S857 WeakPolarHBondContact CA-O 3.14Å; R681-S857 WeakPolarHBondContact CG-O 3.4Å; R681-S857 PolarHBondContact N-O 2.78Å | ||
| 858 | Q | 23.3 | Very low | 29 | Very low | 129 Ų | 129 | 73.6 Ų | 73.6 | 60% | 0.603 | 38% | 0.382 | S | S | * | . | trans | 57.2 | 159.9 | 155.3 | -73.6 | -177.1 | -24.5 | 0 | 0 | 118.4 | R681 | R681-Q858 VanDerWaalsContact CA-O 3.27Å; R681-Q858 WeakPolarHBondContact CA-O 3.31Å; R681-Q858 WeakPolarHBondContact CB-O 3.33Å; R681-Q858 HydrophobicContact CG-CB 3.92Å; R681-Q858 VanDerWaalsContact CG-O 3.29Å; R681-Q858 WeakPolarHBondContact CG-O 3.47Å | ||
| 859 | P | 29.1 | Very low | 28.9 | Very low | 86 Ų | 86 | 77.6 Ų | 77.6 | 56% | 0.558 | 41% | 0.41 | S | S | * | . | cis | -119.2 | -163.2 | -30.6 | 35.4 | -17.4 | 0 | 0 | 0 | 109.4 | ||||
| 860 | S | 25.9 | Very low | 28.9 | Very low | 78 Ų | 78 | 83.4 Ų | 83.4 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | trans | -31.2 | 149.9 | 150 | 56.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 861 | S | 30.8 | Very low | 28.6 | Very low | 70 Ų | 70 | 85 Ų | 85 | 49% | 0.49 | 44% | 0.44 | S | S | . | . | 167.8 | 143 | 94.8 | 50.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 862 | F | 30.3 | Very low | 28 | Very low | 158 Ų | 158 | 86.2 Ų | 86.2 | 69% | 0.693 | 46% | 0.459 | S | S | * | . | trans | 61.1 | 133.5 | 135.3 | -82.2 | -120.3 | 0 | 0 | 0 | 122.4 | ||||
| 863 | D | 31.1 | Very low | 27.7 | Very low | 108 Ų | 108 | 89.6 Ų | 89.6 | 58% | 0.578 | 48% | 0.477 | S | S | * | . | trans | 59.9 | -167.4 | 147.8 | -59.7 | -8.2 | 0 | 0 | 0 | 113.8 | ||||
| 864 | S | 29.6 | Very low | 27.3 | Very low | 74 Ų | 74 | 91.4 Ų | 91.4 | 52% | 0.517 | 49% | 0.492 | S | S | . | . | cis | -140.9 | 158.7 | 2 | -64.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 865 | F | 28.1 | Very low | 26.7 | Very low | 169 Ų | 169 | 93 Ų | 93 | 74% | 0.741 | 50% | 0.503 | S | S | * | . | trans | 24.6 | 118.9 | 144.7 | -72.5 | -103 | 0 | 0 | 0 | 118.4 | ||||
| 866 | Q | 24 | Very low | 26.4 | Very low | 151 Ų | 151 | 98.3 Ų | 98.3 | 71% | 0.706 | 53% | 0.527 | S | S | * | . | 58.7 | 150.1 | 79.3 | -71.9 | -167.3 | -6.1 | 0 | 0 | 115.9 | |||||
| 867 | L | 24.5 | Very low | 26.3 | Very low | 136 Ų | 136 | 100.9 Ų | 100.9 | 71% | 0.712 | 54% | 0.539 | S | S | * | . | trans | 86.1 | 99.1 | 148.9 | -135.6 | 74.7 | 0 | 0 | 0 | 117 | ||||
| 868 | Y | 24.8 | Very low | 26.4 | Very low | 198 Ų | 198 | 104.3 Ų | 104.3 | 78% | 0.776 | 56% | 0.555 | S | S | * | * | trans | 62.8 | 131.8 | 134.4 | -88.2 | -117.7 | 0 | 0 | 0 | 119 | ||||
| 869 | S | 26 | Very low | 26.5 | Very low | 84 Ų | 84 | 103.5 Ų | 103.5 | 59% | 0.587 | 56% | 0.555 | S | S | * | * | trans | 72.9 | 161.2 | 132.8 | 83.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 870 | Y | 27.4 | Very low | 26.5 | Very low | 130 Ų | 130 | 104.5 Ų | 104.5 | 51% | 0.51 | 56% | 0.555 | S | S | . | * | cis | -148.1 | 124.6 | -32.8 | -130.7 | -113.2 | 0 | 0 | 0 | 101.9 | K663 Y664 | K663-Y870 HydrophobicContact CB-CD1 3.89Å; K663-Y870 HydrophobicContact CB-CE1 3.78Å; K663-Y870 HydrophobicContact CG-CE1 4.08Å; Y664-Y870 HydrophobicContact CD1-CE1 4.11Å | ||
| 871 | T | 27.8 | Very low | 26.5 | Very low | 41 Ų | 41 | 102.8 Ų | 102.8 | 25% | 0.252 | 54% | 0.54 | S | S | . | . | 66.8 | 143 | 129.1 | 61.9 | 0 | 0 | 0 | 0 | 122.5 | Y664 F665 | Y664-T871 VanDerWaalsContact C-CB 3.47Å; Y664-T871 WeakPolarHBondContact CA-OG1 3.11Å; Y664-T871 PolarHBondContact N-OG1 2.87Å; Y664-T871 PolarHBondContact O-OG1 2.73Å; Y664-T871 VanDerWaalsContact O-OG1 3.08Å; F665-T871 PolarHBondContact N-OG1 3Å; F665-T871 WeakPolarHBondContact O-CB 3.11Å | |||
| 872 | G | 25.9 | Very low | 26.8 | Very low | 53 Ų | 53 | 105.2 Ų | 105.2 | 55% | 0.546 | 55% | 0.547 | S | S | . | . | trans | -145.4 | -12 | 177 | 0 | 0 | 0 | 0 | 0 | 117.7 | F665 S666 | F665-G872 PolarHBondContact O-N 2.52Å; S666-G872 PolarHBondContact O-N 2.7Å | ||
| 873 | N | 23.9 | Very low | 27.4 | Very low | 81 Ų | 81 | 100.4 Ų | 100.4 | 43% | 0.433 | 53% | 0.529 | S | S | . | . | trans | 63.2 | 160.9 | -173.4 | -85.2 | -34.4 | 0 | 0 | 0 | 114.2 | F665 S666 | F665-N873 WeakPolarHBondContact CB-ND2 3.01Å; F665-N873 WeakPolarHBondContact CB-OD1 3.34Å; F665-N873 VanDerWaalsContact O-CG 3.23Å; F665-N873 PolarHBondContact O-N 2.73Å; F665-N873 PolarHBondContact O-OD1 3.5Å; S666-N873 WeakPolarHBondContact CB-OD1 3.4Å; S666-N873 PolarHBondContact O-N 3.1Å; S666-N873 PolarHBondContact OG-OD1 3.12Å | ||
| 874 | S | 22.9 | Very low | 27.1 | Very low | 69 Ų | 69 | 96.4 Ų | 96.4 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | cis | -159.5 | 134.5 | -14.6 | 42.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 875 | N | 22.2 | Very low | 27.1 | Very low | 83 Ų | 83 | 94.2 Ų | 94.2 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | trans | 68.2 | 135.6 | 169 | -53.3 | 17.9 | 0 | 0 | 0 | 112.7 | Y667 | Y667-N875 VanDerWaalsContact CE2-N 3.34Å; Y667-N875 VanDerWaalsContact CE2-OD1 3.3Å; Y667-N875 WeakPolarHBondContact CE2-OD1 3.44Å | ||
| 876 | E | 22.4 | Very low | 27.2 | Very low | 126 Ų | 126 | 89.6 Ų | 89.6 | 59% | 0.589 | 47% | 0.473 | S | S | * | . | cis | -169.2 | 142.8 | 8.2 | -111 | 154.3 | -132.3 | 0 | 0 | 105.4 | E668 | E668-E876 PolarHBondContact OE1-N 2.8Š| ||
| 877 | D | 28.7 | Very low | 27.8 | Very low | 72 Ų | 72 | 84.6 Ų | 84.6 | 39% | 0.385 | 45% | 0.449 | S | S | . | . | cis | -159 | 150.8 | -0.7 | -148.8 | 31.2 | 0 | 0 | 0 | 112.2 | Y667 | Y667-D877 PolarHBondContact OH-OD1 3.12Š| ||
| 878 | N | 26.6 | Very low | 28.4 | Very low | 95 Ų | 95 | 83.1 Ų | 83.1 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | trans | 32.1 | -147 | 142 | -68.3 | -36.6 | 0 | 0 | 0 | 119.2 | N884 | N878-N884 PolarHBondContact O-ND2 3.47Š| ||
| 879 | N | 25 | Very low | 29 | Very low | 111 Ų | 111 | 76.9 Ų | 76.9 | 59% | 0.594 | 42% | 0.416 | S | S | * | . | -3.4 | 143.5 | 129.1 | -42.7 | -25.8 | 0 | 0 | 0 | 115.1 | |||||
| 880 | N | 28.4 | Very low | 29.4 | Very low | 107 Ų | 107 | 73.4 Ų | 73.4 | 57% | 0.572 | 39% | 0.391 | S | S | * | . | cis | -120 | 111.3 | 3.5 | -133.4 | 38.6 | 0 | 0 | 0 | 103.3 | N882 N883 | N880-N882 CarbonylContact C-O 2.78Å; N880-N882 VanDerWaalsContact CB-O 3.27Å; N880-N882 WeakPolarHBondContact CB-O 3.37Å; N880-N882 VanDerWaalsContact CG-O 3.29Å; N880-N882 WeakPolarHBondContact ND2-CB 3.46Å; N880-N882 PolarHBondContact ND2-O 2.75Å; N880-N882 CarbonylContact O-C 3.6Å; N880-N883 CarbonylContact O-C 3.28Å; N880-N883 VanDerWaalsContact O-C 3.29Å; N880-N883 PolarHBondContact O-N 3.5Å | ||
| 881 | D | 27.1 | Very low | 29.6 | Very low | 42 Ų | 42 | 70 Ų | 70 | 23% | 0.225 | 39% | 0.385 | C | S | . | . | cis | 50.2 | 75.8 | 20.9 | -108.7 | -42 | 0 | 0 | 0 | 113.1 | K802 N884 S885 | K802-D881 WeakPolarHBondContact CE-OD1 3.24Å; K802-D881 IonicContact NZ-OD1 2.71Å; K802-D881 PolarHBondContact NZ-OD1 2.75Å; D881-N884 VanDerWaalsContact CA-N 3.3Å; D881-N884 HydrophobicContact CB-CB 3.71Å; D881-N884 WeakPolarHBondContact OD2-CB 3.26Å; D881-S885 PolarHBondContact OD1-OG 3.48Å; D881-S885 WeakPolarHBondContact OD2-CA 3.29Å; D881-S885 WeakPolarHBondContact OD2-CB 3.45Å; D881-S885 PolarHBondContact OD2-OG 2.71Å | ||
| 882 | N | 36.5 | Very low | 29.6 | Very low | 121 Ų | 121 | 69.6 Ų | 69.6 | 65% | 0.647 | 38% | 0.379 | S | S | * | . | S | Bend | 68.9 | 42 | -116.7 | -54.5 | -83.2 | 0 | 0 | 0 | 113.6 | N880 | N880-N882 CarbonylContact C-O 2.78Å; N880-N882 VanDerWaalsContact CB-O 3.27Å; N880-N882 WeakPolarHBondContact CB-O 3.37Å; N880-N882 VanDerWaalsContact CG-O 3.29Å; N880-N882 WeakPolarHBondContact ND2-CB 3.46Å; N880-N882 PolarHBondContact ND2-O 2.75Å; N880-N882 CarbonylContact O-C 3.6Å | |
| 883 | N | 42.7 | Very low | 30 | Very low | 57 Ų | 57 | 70 Ų | 70 | 31% | 0.305 | 37% | 0.368 | S | S | . | . | S | Bend | cis | -148.7 | 104.7 | 16.5 | -70.9 | -64.1 | 0 | 0 | 0 | 115.6 | R801 N880 N1697 Q1701 | R801-N883 HydrophobicContact CB-CB 4.21Å; R801-N883 WeakPolarHBondContact CB-O 3.38Å; R801-N883 HydrophobicContact CG-CB 4.37Å; R801-N883 VanDerWaalsContact CG-O 3.22Å; R801-N883 WeakPolarHBondContact CG-O 3.21Å; N880-N883 CarbonylContact O-C 3.28Å; N880-N883 VanDerWaalsContact O-C 3.29Å; N880-N883 PolarHBondContact O-N 3.5Å; N883-N1697 WeakPolarHBondContact CA-OD1 3.16Å; N883-N1697 VanDerWaalsContact CB-CG 3.43Å; N883-N1697 WeakPolarHBondContact CB-ND2 3.27Å; N883-N1697 WeakPolarHBondContact CB-OD1 3.46Å; N883-N1697 VanDerWaalsContact OD1-CG 3.24Å; N883-N1697 PolarHBondContact OD1-ND2 2.76Å; N883-N1697 PolarHBondContact OD1-OD1 2.84Å; N883-Q1701 PolarHBondContact ND2-NE2 3.1Å; N883-Q1701 PolarHBondContact OD1-NE2 2.73Å |
| 884 | N | 25.7 | Very low | 30.3 | Very low | 25 Ų | 25 | 70.9 Ų | 70.9 | 13% | 0.134 | 37% | 0.373 | C | S | . | . | trans | -121.7 | -128 | -160 | -148.3 | 13.2 | 0 | 0 | 0 | 117.6 | K802 N878 D881 R1693 | K802-N884 WeakPolarHBondContact CA-O 3.4Å; K802-N884 WeakPolarHBondContact CG-O 3.43Å; K802-N884 PolarHBondContact N-O 3.07Å; N878-N884 PolarHBondContact O-ND2 3.47Å; D881-N884 VanDerWaalsContact CA-N 3.3Å; D881-N884 HydrophobicContact CB-CB 3.71Å; D881-N884 WeakPolarHBondContact OD2-CB 3.26Å; N884-R1693 PolarHBondContact ND2-NH1 3.06Å; N884-R1693 VanDerWaalsContact ND2-NH1 3.18Å; N884-R1693 WeakPolarHBondContact O-CD 2.95Å; N884-R1693 WeakPolarHBondContact O-CG 3.48Å; N884-R1693 VanDerWaalsContact OD1-CD 3.22Å; N884-R1693 WeakPolarHBondContact OD1-CD 2.91Å; N884-R1693 VanDerWaalsContact OD1-CZ 3.3Å; N884-R1693 PolarHBondContact OD1-NE 2.69Å; N884-R1693 PolarHBondContact OD1-NH1 2.68Å | ||
| 885 | S | 28 | Very low | 30.4 | Very low | 27 Ų | 27 | 70.8 Ų | 70.8 | 19% | 0.189 | 37% | 0.367 | C | S | . | . | cis | -147.9 | -146.3 | 10.9 | -38.1 | 0 | 0 | 0 | 0 | 114.1 | K802 N803 D881 R1693 | K802-S885 VanDerWaalsContact CD-OG 3.31Å; K802-S885 WeakPolarHBondContact CD-OG 3.31Å; K802-S885 WeakPolarHBondContact CE-OG 3.25Å; K802-S885 WeakPolarHBondContact CG-OG 3.19Å; N803-S885 WeakPolarHBondContact CB-O 3.27Å; N803-S885 VanDerWaalsContact CG-C 3.46Å; N803-S885 WeakPolarHBondContact OD1-CA 3.45Å; N803-S885 WeakPolarHBondContact OD1-CB 3.09Å; N803-S885 PolarHBondContact OD1-N 3.48Å; N803-S885 PolarHBondContact OD1-O 2.59Å; D881-S885 PolarHBondContact OD1-OG 3.48Å; D881-S885 WeakPolarHBondContact OD2-CA 3.29Å; D881-S885 WeakPolarHBondContact OD2-CB 3.45Å; D881-S885 PolarHBondContact OD2-OG 2.71Å; S885-R1693 WeakPolarHBondContact O-CD 2.83Å; S885-R1693 PolarHBondContact O-NE 2.93Å; S885-R1693 PolarHBondContact O-NH1 3.31Å; S885-R1693 PolarHBondContact O-NH2 3.26Å | ||
| 886 | E | 31.8 | Very low | 30.5 | Very low | 73 Ų | 73 | 74.3 Ų | 74.3 | 34% | 0.341 | 38% | 0.381 | S | S | . | . | trans | -128.7 | 152.7 | -162.9 | -58.8 | -70 | 104.2 | 0 | 0 | 122.5 | F388 N803 R1693 | F388-E886 WeakPolarHBondContact CD1-O 3.18Å; F388-E886 WeakPolarHBondContact CE1-O 2.73Å; N803-E886 PolarHBondContact OD1-N 2.91Å; E886-R1693 IonicContact OE1-CZ 2.72Å; E886-R1693 IonicContact OE1-NH1 3.14Å; E886-R1693 PolarHBondContact OE1-NH1 2.97Å; E886-R1693 IonicContact OE1-NH2 3.61Å; E886-R1693 PolarHBondContact OE1-NH2 2.77Å | ||
| 887 | F | 36.1 | Very low | 30.6 | Very low | 46 Ų | 46 | 73.7 Ų | 73.7 | 20% | 0.202 | 39% | 0.39 | C | S | . | . | trans | 44.8 | 137.7 | 167 | -39.3 | -58 | 0 | 0 | 0 | 131.3 | F388 I389 F669 | F388-F887 WeakPolarHBondContact CD1-O 3.49Å; I389-F887 HydrophobicContact CB-CD1 4.25Å; I389-F887 HydrophobicContact CG2-CD1 4.21Å; I389-F887 HydrophobicContact CG2-CE1 3.98Å; F669-F887 HydrophobicContact CD1-CD1 4.2Å; F669-F887 HydrophobicContact CD1-CD2 4.16Å; F669-F887 AromaticContact CD1-CE1 3.85Å; F669-F887 HydrophobicContact CD1-CE1 3.85Å; F669-F887 AromaticContact CD1-CE2 3.81Å; F669-F887 HydrophobicContact CD1-CE2 3.81Å; F669-F887 HydrophobicContact CD1-CG 4.36Å; F669-F887 AromaticContact CD1-CZ 3.64Å; F669-F887 HydrophobicContact CD1-CZ 3.64Å; F669-F887 HydrophobicContact CD2-CZ 4.34Å; F669-F887 HydrophobicContact CE1-CD1 4.36Å; F669-F887 AromaticContact CE1-CD2 3.53Å; F669-F887 HydrophobicContact CE1-CD2 3.53Å; F669-F887 HydrophobicContact CE1-CE1 4.16Å; F669-F887 AromaticContact CE1-CE2 3.27Å; F669-F887 HydrophobicContact CE1-CE2 3.27Å; F669-F887 HydrophobicContact CE1-CG 4.08Å; F669-F887 AromaticContact CE1-CZ 3.63Å; F669-F887 HydrophobicContact CE1-CZ 3.63Å; F669-F887 HydrophobicContact CE2-CE2 4.19Å; F669-F887 HydrophobicContact CE2-CZ 4.31Å; F669-F887 HydrophobicContact CG-CE1 4.34Å; F669-F887 HydrophobicContact CG-CE2 4.47Å; F669-F887 HydrophobicContact CG-CZ 4.01Å; F669-F887 HydrophobicContact CZ-CD2 4.07Å; F669-F887 AromaticContact CZ-CE2 3.49Å; F669-F887 HydrophobicContact CZ-CE2 3.49Å; F669-F887 VanDerWaalsContact CZ-CE2 3.49Å; F669-F887 AromaticContact CZ-CZ 3.98Å; F669-F887 HydrophobicContact CZ-CZ 3.98Å; F669-F887 VanDerWaalsContact N-CE1 3.33Å | ||
| 888 | I | 37.6 | Very low | 30.5 | Very low | 105 Ų | 105 | 76.1 Ų | 76.1 | 54% | 0.538 | 41% | 0.413 | S | S | . | . | trans | 107.7 | 152.8 | 151.8 | -57.9 | -171.3 | 0 | 0 | 0 | 122.2 | S387 | S387-I888 WeakPolarHBondContact CB-O 3.29Å; S387-I888 PolarHBondContact OG-O 3.33Å | ||
| 889 | R | 37.2 | Very low | 30.5 | Very low | 66 Ų | 66 | 77.2 Ų | 77.2 | 25% | 0.249 | 42% | 0.415 | C | S | . | . | trans | -146.7 | 156.6 | -159.4 | 54.9 | 159.9 | -175.3 | 85.2 | -10.1 | 121.1 | H386 S387 R671 H703 | H386-R889 VanDerWaalsContact CE1-CD 3.45Å; H386-R889 WeakPolarHBondContact CE1-CD 2.97Å; H386-R889 WeakPolarHBondContact NE2-CD 2.85Å; S387-R889 WeakPolarHBondContact OG-CA 3.04Å; R671-R889 HydrophobicContact CG-CG 4.02Å; H703-R889 VanDerWaalsContact CB-O 3.29Å; H703-R889 WeakPolarHBondContact CB-O 3.02Å; H703-R889 PolarHBondContact CD2-O 3.5Å | ||
| 890 | S | 34.1 | Very low | 30.7 | Very low | 11 Ų | 11 | 75.8 Ų | 75.8 | 8% | 0.077 | 41% | 0.408 | C | S | . | . | trans | 100.7 | 132.3 | 140.4 | 63.5 | 0 | 0 | 0 | 0 | 130.3 | D385 H703 K892 | D385-S890 WeakPolarHBondContact O-CA 3.15Å; H703-S890 PolarHBondContact CD2-O 3.27Å; H703-S890 PolarHBondContact N-O 2.81Å; S890-K892 PolarHBondContact O-NZ 3.35Å | ||
| 891 | V | 30.9 | Very low | 30.6 | Very low | 60 Ų | 60 | 75.5 Ų | 75.5 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | trans | 41.4 | 135 | 156.7 | -159.4 | 0 | 0 | 0 | 0 | 126.8 | N384 L685 F701 | N384-V891 WeakPolarHBondContact O-CG2 3.38Å; L685-V891 HydrophobicContact CD1-CG2 3.33Å; L685-V891 HydrophobicContact CG-CG2 4.13Å; F701-V891 CarbonylContact O-C 3.51Å | ||
| 892 | K | 29 | Very low | 30.6 | Very low | 32 Ų | 32 | 76.8 Ų | 76.8 | 14% | 0.139 | 44% | 0.437 | C | S | . | . | trans | -148.3 | -156.4 | 150.8 | -78.4 | 100.4 | -151.9 | 127.7 | 0 | 115.9 | D699 N700 F701 N702 H703 S890 | D699-K892 VanDerWaalsContact O-O 3.06Å; N700-K892 HydrophobicContact CB-CB 3.83Å; N700-K892 PolarHBondContact O-N 2.74Å; F701-K892 HydrophobicContact CB-CB 4.11Å; F701-K892 HydrophobicContact CB-CD 3.86Å; F701-K892 HydrophobicContact CB-CG 4.5Å; F701-K892 HydrophobicContact CD1-CD 4.38Å; F701-K892 PolarHBondContact O-N 2.76Å; N702-K892 WeakPolarHBondContact O-CD 3.43Å; N702-K892 VanDerWaalsContact O-CE 3.31Å; N702-K892 WeakPolarHBondContact O-CE 3.18Å; N702-K892 PolarHBondContact O-NZ 3.02Å; H703-K892 PolarHBondContact CD2-NZ 3.47Å; H703-K892 VanDerWaalsContact CD2-NZ 3.34Å; H703-K892 VanDerWaalsContact CG-NZ 3.31Å; H703-K892 PolarHBondContact ND1-NZ 2.8Å; H703-K892 PolarHBondContact NE2-NZ 3.4Å; S890-K892 PolarHBondContact O-NZ 3.35Å | ||
| 893 | L | 33.5 | Very low | 30.2 | Very low | 61 Ų | 61 | 77.1 Ų | 77.1 | 32% | 0.319 | 43% | 0.433 | S | S | . | . | trans | -147.3 | 155.9 | -163.7 | -57 | 171.1 | 0 | 0 | 0 | 123.5 | D699 N700 | D699-L893 HydrophobicContact CB-CD2 4.47Å; D699-L893 WeakPolarHBondContact OD1-CA 3.16Å; D699-L893 VanDerWaalsContact OD1-CB 3.27Å; D699-L893 WeakPolarHBondContact OD1-CB 3.24Å; D699-L893 WeakPolarHBondContact OD1-CD2 3.5Å; N700-L893 PolarHBondContact ND2-O 2.66Å | ||
| 894 | N | 29.3 | Very low | 29.6 | Very low | 100 Ų | 100 | 77.3 Ų | 77.3 | 54% | 0.535 | 43% | 0.432 | S | S | . | . | trans | 79.5 | 0 | 149.2 | -91.2 | -127.6 | 0 | 0 | 0 | 127.9 | G698 D699 | G698-N894 CarbonylContact O-C 3.6Å; D699-N894 PolarHBondContact OD1-N 3.49Å; D699-N894 PolarHBondContact OD1-ND2 2.72Å; D699-N894 WeakPolarHBondContact OD2-CA 3.27Å; D699-N894 PolarHBondContact OD2-N 2.8Å | ||
| 895 | N | 26.4 | Very low | 29.8 | Very low | 67 Ų | 67 | 82.1 Ų | 82.1 | 36% | 0.358 | 45% | 0.452 | S | S | . | . | 0 | 177.7 | 0 | -152.8 | -84 | 0 | 0 | 0 | 117.8 | S697 | S697-N895 PolarHBondContact OG-ND2 3.21Š| |||
| 896 | Q | 24 | Very low | 29.9 | Very low | 157 Ų | 157 | 85.4 Ų | 85.4 | 73% | 0.734 | 48% | 0.475 | S | S | * | . | trans | 76.4 | 167.5 | 157.1 | -96.1 | 144.9 | 91.2 | 0 | 0 | 125.6 | ||||
| 897 | S | 24.2 | Very low | 29.9 | Very low | 112 Ų | 112 | 84.5 Ų | 84.5 | 78% | 0.783 | 47% | 0.472 | S | S | * | . | cis | -165.8 | -178.9 | -4.7 | 62.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 898 | S | 25.7 | Very low | 29.6 | Very low | 124 Ų | 124 | 82.6 Ų | 82.6 | 87% | 0.867 | 47% | 0.465 | S | S | * | . | trans | -171.3 | 159.6 | -178.1 | 63.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 899 | E | 27.3 | Very low | 29.2 | Very low | 118 Ų | 118 | 80.3 Ų | 80.3 | 55% | 0.551 | 45% | 0.451 | S | S | * | . | trans | -167.2 | 166.8 | 179.3 | -162.2 | -95.9 | 137.3 | 0 | 0 | 120.9 | K734 | K734-E899 WeakPolarHBondContact CE-OE2 3.15Å; K734-E899 IonicContact NZ-OE2 2.74Å; K734-E899 PolarHBondContact NZ-OE2 2.94Å | ||
| 900 | N | 28.5 | Very low | 28.8 | Very low | 81 Ų | 81 | 80.9 Ų | 80.9 | 43% | 0.433 | 45% | 0.453 | S | S | . | . | trans | 121.8 | 144.9 | 146.6 | -149.1 | -95.8 | 0 | 0 | 0 | 128.5 | K733 | K733-N900 HydrophobicContact CD-CB 3.88Å; K733-N900 VanDerWaalsContact NZ-C 3.3Å; K733-N900 PolarHBondContact NZ-O 3.32Å; K733-N900 PolarHBondContact NZ-OD1 2.93Å | ||
| 901 | S | 26.8 | Very low | 28.5 | Very low | 101 Ų | 101 | 86.7 Ų | 86.7 | 71% | 0.706 | 47% | 0.474 | S | S | * | . | trans | -131.5 | -167.2 | -165 | 66.5 | 0 | 0 | 0 | 0 | 122.7 | K733 | K733-S901 PolarHBondContact NZ-O 3.25Š| ||
| 902 | G | 27.1 | Very low | 28.2 | Very low | 69 Ų | 69 | 88.7 Ų | 88.7 | 71% | 0.711 | 48% | 0.475 | S | S | * | . | trans | -172.9 | -177.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 903 | F | 28.7 | Very low | 28 | Very low | 127 Ų | 127 | 93.3 Ų | 93.3 | 56% | 0.557 | 50% | 0.497 | S | S | * | . | trans | -131.7 | -154.7 | -166.4 | -166.3 | -120.8 | 0 | 0 | 0 | 118.6 | D2446 H2447 | F903-D2446 WeakPolarHBondContact CA-OD1 3.01Å; F903-D2446 WeakPolarHBondContact CB-OD1 3.19Å; F903-D2446 WeakPolarHBondContact CD1-OD2 2.98Å; F903-D2446 PolarHBondContact N-OD1 2.93Å; F903-D2446 CarbonylContact O-C 2.78Å; F903-D2446 VanDerWaalsContact O-CA 3.26Å; F903-D2446 WeakPolarHBondContact O-CA 3.45Å; F903-H2447 VanDerWaalsContact C-CE1 3.43Å; F903-H2447 VanDerWaalsContact CA-CE1 3.45Å; F903-H2447 WeakPolarHBondContact CA-CE1 3.15Å; F903-H2447 WeakPolarHBondContact O-CA 3.35Å; F903-H2447 PolarHBondContact O-CE1 3.09Å; F903-H2447 PolarHBondContact O-N 3.44Å; F903-H2447 PolarHBondContact O-ND1 2.87Å | ||
| 904 | Q | 28.7 | Very low | 27.5 | Very low | 62 Ų | 62 | 97.2 Ų | 97.2 | 29% | 0.29 | 52% | 0.517 | S | S | . | . | B | Isolated β-bridge | trans | -127.7 | 128.7 | -141.9 | -169.1 | 165.4 | 129.8 | 0 | 0 | 127.7 | D2446 H2447 N2448 | Q904-D2446 VanDerWaalsContact C-CB 3.44Å; Q904-D2446 PolarHBondContact N-OD1 3.1Å; Q904-D2446 PolarHBondContact N-OD2 3.18Å; Q904-H2447 VanDerWaalsContact CA-CD2 3.4Å; Q904-H2447 WeakPolarHBondContact CA-CD2 3.44Å; Q904-H2447 HydrophobicContact CB-CB 4.37Å; Q904-H2447 WeakPolarHBondContact CB-CD2 3.47Å; Q904-H2447 VanDerWaalsContact CG-CD2 3.42Å; Q904-H2447 WeakPolarHBondContact CG-CD2 3.46Å; Q904-H2447 PolarHBondContact NE2-CD2 2.89Å; Q904-H2447 PolarHBondContact NE2-NE2 3.05Å; Q904-N2448 HydrophobicContact CG-CB 4.41Å |
| 905 | K | 31.3 | Very low | 27.2 | Very low | 126 Ų | 126 | 96.9 Ų | 96.9 | 55% | 0.548 | 52% | 0.522 | S | S | . | . | trans | 109.1 | 131.5 | 142.1 | -93.5 | 170.2 | -173.4 | 147.8 | 0 | 129.5 | H2447 N2448 | K905-H2447 WeakPolarHBondContact CA-O 3.48Å; K905-H2447 PolarHBondContact N-O 2.74Å; K905-N2448 HydrophobicContact CG-CB 3.99Å | ||
| 906 | S | 30 | Very low | 27 | Very low | 96 Ų | 96 | 104.7 Ų | 104.7 | 67% | 0.671 | 55% | 0.547 | S | S | * | . | 67.4 | 174.7 | 127.1 | 81.5 | 0 | 0 | 0 | 0 | 124 | |||||
| 907 | D | 31.4 | Very low | 27 | Very low | 54 Ų | 54 | 104.2 Ų | 104.2 | 29% | 0.289 | 55% | 0.549 | S | S | . | . | cis | -163.3 | 135.4 | 1.1 | -167.9 | 50.4 | 0 | 0 | 0 | 118 | N2452 Q2455 | D907-N2452 PolarHBondContact OD1-ND2 2.92Å; D907-Q2455 WeakPolarHBondContact O-CB 3.36Å; D907-Q2455 VanDerWaalsContact O-CG 3.3Å; D907-Q2455 WeakPolarHBondContact O-CG 2.96Å; D907-Q2455 PolarHBondContact O-NE2 2.67Å | ||
| 908 | S | 29.4 | Very low | 27.3 | Very low | 6 Ų | 6 | 104.1 Ų | 104.1 | 4% | 0.042 | 55% | 0.545 | C | S | . | . | trans | 71.3 | 120.9 | 134.7 | 89.4 | 0 | 0 | 0 | 0 | 131.8 | R910 N2452 Q2455 | S908-R910 PolarHBondContact O-NH2 2.76Å; S908-N2452 WeakPolarHBondContact CA-O 2.92Å; S908-N2452 VanDerWaalsContact CB-CB 3.48Å; S908-N2452 WeakPolarHBondContact CB-ND2 3.33Å; S908-N2452 PolarHBondContact N-O 3.2Å; S908-Q2455 WeakPolarHBondContact O-CA 3.26Å | ||
| 909 | F | 29.7 | Very low | 27 | Very low | 56 Ų | 56 | 106.8 Ų | 106.8 | 25% | 0.246 | 54% | 0.541 | C | S | . | . | 127.7 | 79.9 | 107.2 | -154.2 | -144.1 | 0 | 0 | 0 | 120 | R911 G2453 L2454 | F909-R911 PolarHBondContact O-NH1 3Å; F909-G2453 CarbonylContact C-O 3.4Å; F909-G2453 VanDerWaalsContact CA-O 3.24Å; F909-G2453 WeakPolarHBondContact CA-O 3.05Å; F909-G2453 PolarHBondContact N-O 2.92Å; F909-L2454 PolarHBondContact N-O 2.8Å | |||
| 910 | R | 28.9 | Very low | 27 | Very low | 79 Ų | 79 | 103.8 Ų | 103.8 | 30% | 0.298 | 53% | 0.532 | S | S | . | . | trans | -126.8 | -168.8 | -177 | -127.5 | 96.7 | -50.3 | 176.2 | 21.8 | 120.1 | S908 H2268 G2453 L2454 Q2455 S2457 | S908-R910 PolarHBondContact O-NH2 2.76Å; R910-H2268 PolarHBondContact O-CE1 3.1Å; R910-G2453 PolarHBondContact N-O 3.03Å; R910-G2453 VanDerWaalsContact N-O 3.13Å; R910-L2454 HydrophobicContact CB-CB 3.89Å; R910-L2454 HydrophobicContact CB-CD2 4.47Å; R910-L2454 VanDerWaalsContact CZ-O 3.26Å; R910-L2454 PolarHBondContact NE-O 3.1Å; R910-L2454 PolarHBondContact NH2-O 3.48Å; R910-Q2455 PolarHBondContact NH1-O 2.85Å; R910-Q2455 PolarHBondContact NH2-O 3.29Å; R910-S2457 PolarHBondContact NH1-OG 3.46Å | ||
| 911 | R | 27.1 | Very low | 26.6 | Very low | 133 Ų | 133 | 103.5 Ų | 103.5 | 50% | 0.502 | 53% | 0.53 | S | S | . | . | trans | -148.1 | 174 | -155.1 | -80.2 | 96 | -142 | -173.8 | 0.9 | 122.3 | F909 N2267 H2268 | F909-R911 PolarHBondContact O-NH1 3Å; R911-N2267 CarbonylContact C-O 3.04Å; R911-N2267 WeakPolarHBondContact CA-O 3.44Å; R911-N2267 WeakPolarHBondContact CB-O 3.22Å; R911-N2267 WeakPolarHBondContact CG-O 3.46Å; R911-H2268 PolarHBondContact NE-NE2 2.95Å; R911-H2268 PolarHBondContact NH2-CE1 3.05Å; R911-H2268 PolarHBondContact NH2-NE2 3.06Å | ||
| 912 | Y | 25.6 | Very low | 26.5 | Very low | 101 Ų | 101 | 99.3 Ų | 99.3 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | trans | -42.9 | 176.4 | 177.7 | -69.3 | -44 | 0 | 0 | 0 | 124 | Y2266 N2267 H2268 | Y912-Y2266 VanDerWaalsContact CB-O 3.29Å; Y912-Y2266 WeakPolarHBondContact CB-O 3.03Å; Y912-Y2266 WeakPolarHBondContact CD2-O 2.96Å; Y912-Y2266 VanDerWaalsContact CG-C 3.42Å; Y912-N2267 WeakPolarHBondContact CB-O 3Å; Y912-N2267 HydrophobicContact CD1-CB 2.64Å; Y912-N2267 WeakPolarHBondContact CD1-O 3.17Å; Y912-N2267 HydrophobicContact CD2-CB 3.75Å; Y912-N2267 WeakPolarHBondContact CD2-O 3.36Å; Y912-N2267 HydrophobicContact CE1-CB 2.85Å; Y912-N2267 VanDerWaalsContact CE1-ND2 3.25Å; Y912-N2267 WeakPolarHBondContact CE1-ND2 3.17Å; Y912-N2267 HydrophobicContact CE2-CB 3.94Å; Y912-N2267 WeakPolarHBondContact CE2-O 3.27Å; Y912-N2267 HydrophobicContact CG-CB 3.11Å; Y912-N2267 PolarHBondContact N-O 2.81Å; Y912-N2267 WeakPolarHBondContact OH-CA 3.38Å; Y912-H2268 HydrophobicContact CE1-CB 4.14Å; Y912-H2268 WeakPolarHBondContact CE1-O 2.94Å; Y912-H2268 HydrophobicContact CE2-CB 4.22Å; Y912-H2268 VanDerWaalsContact CZ-CB 3.47Å; Y912-H2268 WeakPolarHBondContact OH-CA 2.94Å; Y912-H2268 WeakPolarHBondContact OH-CB 3.23Å; Y912-H2268 PolarHBondContact OH-O 2.78Å | ||
| 913 | H | 25 | Very low | 26.2 | Very low | 130 Ų | 130 | 97 Ų | 97 | 60% | 0.602 | 47% | 0.473 | S | S | * | . | cis | 178.7 | 166 | -29.1 | -151.7 | -119.1 | 0 | 0 | 0 | 111.9 | N2267 | H913-N2267 HydrophobicContact CB-CB 3.94Å; H913-N2267 PolarHBondContact CE1-ND2 3.44Å; H913-N2267 PolarHBondContact NE2-ND2 2.85Å; H913-N2267 VanDerWaalsContact NE2-ND2 3.12Å | ||
| 914 | I | 22.6 | Very low | 25.9 | Very low | 142 Ų | 142 | 97.4 Ų | 97.4 | 73% | 0.728 | 47% | 0.471 | S | S | * | . | trans | 67.4 | 116.2 | 175 | -61.5 | 175.6 | 0 | 0 | 0 | 115 | ||||
| 915 | S | 22.9 | Very low | 25.7 | Very low | 94 Ų | 94 | 98.5 Ų | 98.5 | 66% | 0.657 | 48% | 0.481 | S | S | * | . | 80.3 | 109.6 | 52.5 | -59.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 916 | R | 22.1 | Very low | 25.4 | Very low | 230 Ų | 230 | 95.9 Ų | 95.9 | 87% | 0.868 | 47% | 0.473 | S | S | * | . | trans | 71.8 | 149.6 | 176.2 | -59.5 | -176.4 | 174 | -162.7 | -1.1 | 115.4 | ||||
| 917 | L | 23.4 | Very low | 25.2 | Very low | 148 Ų | 148 | 94 Ų | 94 | 78% | 0.775 | 46% | 0.46 | S | S | * | . | cis | -156.9 | 81.9 | -11.2 | -113.5 | 168.7 | 0 | 0 | 0 | 111.2 | ||||
| 918 | P | 30.5 | Very low | 24.9 | Very low | 110 Ų | 110 | 97.3 Ų | 97.3 | 71% | 0.714 | 47% | 0.468 | S | S | * | . | trans | -124.3 | 176.4 | 157.6 | 7.7 | 16.3 | 0 | 0 | 0 | 113.1 | ||||
| 919 | K | 20.3 | Very low | 24.7 | Very low | 180 Ų | 180 | 97.8 Ų | 97.8 | 78% | 0.783 | 47% | 0.474 | S | S | * | . | trans | -80.3 | 166.3 | 179.4 | -99.4 | -148.9 | 174.2 | -174.5 | 0 | 113.5 | E2013 | K919-E2013 VanDerWaalsContact O-CB 3.3Å; K919-E2013 WeakPolarHBondContact O-CB 3.28Å; K919-E2013 VanDerWaalsContact O-CG 3.31Å; K919-E2013 WeakPolarHBondContact O-CG 3.37Å | ||
| 920 | P | 26 | Very low | 24.6 | Very low | 54 Ų | 54 | 99.7 Ų | 99.7 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | trans | -136.3 | 120.8 | -159.5 | 29.4 | -4.6 | 0 | 0 | 0 | 117.4 | E2013 R2014 T2017 | P920-E2013 VanDerWaalsContact CA-OE2 3.29Å; P920-E2013 WeakPolarHBondContact CA-OE2 3.26Å; P920-E2013 WeakPolarHBondContact CB-O 2.93Å; P920-R2014 HydrophobicContact CB-CB 3.85Å; P920-R2014 HydrophobicContact CB-CG 4.12Å; P920-T2017 HydrophobicContact CB-CG2 4.01Å; P920-T2017 WeakPolarHBondContact CB-OG1 2.99Å | ||
| 921 | N | 21.5 | Very low | 24.5 | Very low | 75 Ų | 75 | 100.6 Ų | 100.6 | 40% | 0.401 | 51% | 0.505 | S | S | . | . | trans | -139.4 | 160.3 | 153.8 | -109.6 | -14 | 0 | 0 | 0 | 111.9 | L2010 R2011 E2013 R2014 | N921-L2010 CarbonylContact C-O 3.33Å; N921-L2010 WeakPolarHBondContact CA-O 3.26Å; N921-L2010 HydrophobicContact CB-CB 3.76Å; N921-L2010 HydrophobicContact CB-CD2 4.13Å; N921-L2010 WeakPolarHBondContact CB-O 3.17Å; N921-L2010 CarbonylContact O-C 3.46Å; N921-R2011 WeakPolarHBondContact O-CA 3.39Å; N921-E2013 PolarHBondContact N-OE2 2.68Å; N921-E2013 PolarHBondContact O-N 2.93Å; N921-R2014 PolarHBondContact O-N 2.72Å | ||
| 922 | P | 24.8 | Very low | 24.4 | Very low | 13 Ų | 13 | 98.7 Ų | 98.7 | 8% | 0.084 | 50% | 0.504 | C | S | . | . | trans | -48.3 | -143.1 | -138.5 | -23.4 | 25.9 | 0 | 0 | 0 | 121.3 | L2010 R2011 Q2012 E2013 R2014 D2015 | P922-L2010 WeakPolarHBondContact CD-O 3.24Å; P922-L2010 VanDerWaalsContact N-O 3.07Å; P922-R2011 HydrophobicContact CB-CB 4.33Å; P922-R2011 HydrophobicContact CB-CG 3.75Å; P922-R2011 HydrophobicContact CG-CG 4.11Å; P922-R2011 CarbonylContact O-C 3.56Å; P922-R2011 WeakPolarHBondContact O-CA 3.11Å; P922-Q2012 CarbonylContact O-C 3.55Å; P922-Q2012 VanDerWaalsContact O-CA 3.32Å; P922-Q2012 WeakPolarHBondContact O-CA 3.45Å; P922-Q2012 PolarHBondContact O-N 2.64Å; P922-E2013 PolarHBondContact O-N 3.29Å; P922-R2014 VanDerWaalsContact CA-C 3.43Å; P922-R2014 CarbonylContact O-C 3.51Å; P922-R2014 PolarHBondContact O-N 3Å; P922-R2014 VanDerWaalsContact O-N 3.12Å; P922-D2015 WeakPolarHBondContact CA-OD1 3.06Å; P922-D2015 WeakPolarHBondContact CB-OD1 3.12Å; P922-D2015 PolarHBondContact O-N 2.97Å | ||
| 923 | T | 20.7 | Very low | 24.4 | Very low | 20 Ų | 20 | 99.2 Ų | 99.2 | 12% | 0.123 | 51% | 0.513 | C | S | . | . | trans | -148.8 | -172.9 | 164.4 | -40 | 0 | 0 | 0 | 0 | 110.7 | R2011 Q2012 D2015 I2016 | T923-R2011 VanDerWaalsContact CA-O 3.29Å; T923-R2011 WeakPolarHBondContact CA-O 2.86Å; T923-R2011 PolarHBondContact O-NH1 2.75Å; T923-Q2012 PolarHBondContact OG1-O 3.24Å; T923-D2015 WeakPolarHBondContact CA-OD2 3.4Å; T923-D2015 PolarHBondContact N-OD2 2.97Å; T923-D2015 WeakPolarHBondContact OG1-CA 2.91Å; T923-D2015 WeakPolarHBondContact OG1-CB 3.4Å; T923-D2015 PolarHBondContact OG1-N 2.59Å; T923-I2016 PolarHBondContact OG1-N 3.43Å | ||
| 924 | R | 22.9 | Very low | 24.4 | Very low | 137 Ų | 137 | 99.2 Ų | 99.2 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | trans | -94.4 | 160.4 | 152.8 | -71.4 | 170.6 | 164.4 | 152.5 | -3.2 | 108 | L926 T2008 | R924-L926 HydrophobicContact CB-CD1 4.16Å; R924-L926 HydrophobicContact CB-CG 4.46Å; R924-L926 HydrophobicContact CG-CD1 3.79Å; R924-L926 HydrophobicContact CG-CG 4.42Å; R924-T2008 HydrophobicContact CG-CG2 4.48Å | ||
| 925 | T | 23.4 | Very low | 24.5 | Very low | 84 Ų | 84 | 99.9 Ų | 99.9 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | -157.2 | 128.8 | 56.1 | 35.9 | 0 | 0 | 0 | 0 | 108 | L2459 | T925-L2459 HydrophobicContact CG2-CD1 3.56Š| |||
| 926 | L | 24 | Very low | 24.5 | Very low | 71 Ų | 71 | 100.3 Ų | 100.3 | 37% | 0.372 | 51% | 0.507 | S | S | . | . | 52.5 | 90.8 | 61.7 | -55.7 | 175.8 | 0 | 0 | 0 | 111.5 | R924 L2460 L2461 T2462 | R924-L926 HydrophobicContact CB-CD1 4.16Å; R924-L926 HydrophobicContact CB-CG 4.46Å; R924-L926 HydrophobicContact CG-CD1 3.79Å; R924-L926 HydrophobicContact CG-CG 4.42Å; L926-L2460 CarbonylContact O-C 3.5Å; L926-L2461 VanDerWaalsContact C-N 3.26Å; L926-L2461 HydrophobicContact CB-CD2 4.35Å; L926-L2461 HydrophobicContact CD1-CD2 4.15Å; L926-L2461 WeakPolarHBondContact O-CA 3.38Å; L926-L2461 PolarHBondContact O-N 3.41Å; L926-T2462 HydrophobicContact CB-CG2 4.48Å; L926-T2462 HydrophobicContact CD2-CG2 3.48Å; L926-T2462 VanDerWaalsContact CD2-CG2 3.48Å | |||
| 927 | S | 26.4 | Very low | 24.6 | Very low | 56 Ų | 56 | 93 Ų | 93 | 39% | 0.392 | 49% | 0.49 | S | S | . | . | trans | -121.4 | 110.3 | 173.9 | -62 | 0 | 0 | 0 | 0 | 111 | L2460 L2461 T2462 N2463 S2464 | S927-L2460 CarbonylContact C-O 3.55Å; S927-L2460 WeakPolarHBondContact CA-O 2.72Å; S927-L2461 VanDerWaalsContact C-N 3.32Å; S927-T2462 VanDerWaalsContact C-CA 3.46Å; S927-T2462 VanDerWaalsContact N-N 3.18Å; S927-T2462 CarbonylContact O-C 2.83Å; S927-T2462 WeakPolarHBondContact O-CA 3.39Å; S927-T2462 PolarHBondContact O-N 2.71Å; S927-N2463 CarbonylContact C-O 3.58Å; S927-N2463 CarbonylContact O-C 3.46Å; S927-N2463 WeakPolarHBondContact O-CA 3.48Å; S927-N2463 PolarHBondContact O-N 2.9Å; S927-S2464 WeakPolarHBondContact CB-O 3.49Å | ||
| 928 | R | 24.7 | Very low | 24.5 | Very low | 125 Ų | 125 | 87.8 Ų | 87.8 | 47% | 0.472 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -154.9 | 96.4 | -172 | -173.6 | 171.7 | -157.7 | 93 | 2.1 | 108.5 | L2460 L2461 T2462 N2463 | R928-L2460 VanDerWaalsContact C-C 3.44Å; R928-L2460 CarbonylContact C-O 3.51Å; R928-L2460 PolarHBondContact N-O 3.3Å; R928-L2460 CarbonylContact O-C 3.46Å; R928-L2460 VanDerWaalsContact O-CA 3.27Å; R928-L2460 WeakPolarHBondContact O-CA 3.17Å; R928-L2460 WeakPolarHBondContact O-CB 2.99Å; R928-L2461 HydrophobicContact CB-CB 3.86Å; R928-L2461 WeakPolarHBondContact CB-O 3.27Å; R928-T2462 VanDerWaalsContact CB-CA 3.47Å; R928-T2462 PolarHBondContact NH1-O 3.12Å; R928-N2463 WeakPolarHBondContact CA-O 3.38Å; R928-N2463 HydrophobicContact CB-CB 4.12Å; R928-N2463 HydrophobicContact CG-CB 3.81Å; R928-N2463 VanDerWaalsContact CZ-ND2 3.31Å; R928-N2463 PolarHBondContact N-O 3.45Å; R928-N2463 VanDerWaalsContact N-O 3.09Å; R928-N2463 VanDerWaalsContact NH1-CG 3.34Å; R928-N2463 PolarHBondContact NH1-OD1 3.27Å; R928-N2463 PolarHBondContact NH2-ND2 3.02Å |
| 929 | G | 25.3 | Very low | 24.1 | Very low | 16 Ų | 16 | 90.1 Ų | 90.1 | 17% | 0.165 | 47% | 0.474 | C | S | . | . | trans | 118.7 | 145.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | N2463 | G929-N2463 PolarHBondContact N-O 2.74Š| ||
| 930 | S | 28.1 | Very low | 24 | Very low | 96 Ų | 96 | 84.8 Ų | 84.8 | 67% | 0.671 | 45% | 0.454 | S | S | * | . | cis | 45.1 | 91.7 | 10.8 | 75.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 931 | D | 27 | Very low | 24.1 | Very low | 97 Ų | 97 | 89.2 Ų | 89.2 | 52% | 0.519 | 46% | 0.464 | S | S | . | . | -138.7 | 141.8 | 73.4 | -73.8 | -33.7 | 0 | 0 | 0 | 116.5 | |||||
| 932 | L | 26 | Very low | 24.1 | Very low | 93 Ų | 93 | 88.2 Ų | 88.2 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | 61.4 | 146.4 | 129.5 | -69.9 | 171.6 | 0 | 0 | 0 | 122.4 | I2441 K2456 | L932-I2441 HydrophobicContact CD2-CG2 4.13Å; L932-K2456 PolarHBondContact O-NZ 3.07Å | |||
| 933 | L | 25 | Very low | 23.8 | Very low | 112 Ų | 112 | 96.9 Ų | 96.9 | 59% | 0.586 | 50% | 0.496 | S | S | * | . | trans | 75.6 | 120.6 | 151.7 | -66.9 | 160.2 | 0 | 0 | 0 | 120.9 | K2456 | L933-K2456 PolarHBondContact O-NZ 3.45Š| ||
| 934 | Q | 25.7 | Very low | 23.9 | Very low | 130 Ų | 130 | 102.3 Ų | 102.3 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | 85.4 | 120 | 124.8 | -72.5 | -179.2 | -10.6 | 0 | 0 | 123.2 | |||||
| 935 | F | 24.2 | Very low | 23.7 | Very low | 156 Ų | 156 | 105.8 Ų | 105.8 | 68% | 0.684 | 54% | 0.537 | S | S | * | . | 62.4 | 111.7 | 125.9 | -70.4 | -50 | 0 | 0 | 0 | 122 | |||||
| 936 | N | 22.4 | Very low | 23.6 | Very low | 104 Ų | 104 | 107 Ų | 107 | 56% | 0.556 | 54% | 0.535 | S | S | * | . | 72.1 | 104.9 | 117.7 | -70.4 | 7.3 | 0 | 0 | 0 | 120.7 | |||||
| 937 | S | 23.2 | Very low | 23.3 | Very low | 75 Ų | 75 | 108.1 Ų | 108.1 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | 62.3 | 125.2 | 110.5 | 82.5 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 938 | G | 23.2 | Very low | 23 | Very low | 40 Ų | 40 | 115.8 Ų | 115.8 | 41% | 0.412 | 57% | 0.569 | S | S | . | * | trans | 71.6 | -173.8 | 131.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 939 | Q | 20.6 | Very low | 23.5 | Very low | 158 Ų | 158 | 119 Ų | 119 | 74% | 0.738 | 59% | 0.587 | S | S | * | * | trans | 55.2 | 107 | 160.2 | -64.9 | -168.5 | 16.5 | 0 | 0 | 117.1 | ||||
| 940 | D | 19.8 | Very low | 23.8 | Very low | 68 Ų | 68 | 124.6 Ų | 124.6 | 36% | 0.364 | 61% | 0.612 | S | S | . | * | 92.1 | 173.4 | 83.4 | -85.7 | -46.7 | 0 | 0 | 0 | 113.5 | R955 | D940-R955 VanDerWaalsContact CG-NE 3.35Å; D940-R955 VanDerWaalsContact OD1-CG 3.31Å; D940-R955 WeakPolarHBondContact OD1-CG 3.41Å; D940-R955 IonicContact OD1-CZ 2.62Å; D940-R955 IonicContact OD1-NE 3.89Å; D940-R955 PolarHBondContact OD1-NE 3.12Å; D940-R955 IonicContact OD1-NH2 2.75Å; D940-R955 PolarHBondContact OD1-NH2 2.77Å; D940-R955 IonicContact OD2-CZ 2.63Å; D940-R955 IonicContact OD2-NE 2.86Å; D940-R955 PolarHBondContact OD2-NE 2.76Å; D940-R955 IonicContact OD2-NH2 2.96Å; D940-R955 PolarHBondContact OD2-NH2 2.77Å | |||
| 941 | W | 26.8 | Very low | 24.2 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 56% | 0.557 | 61% | 0.614 | S | S | * | * | trans | 70 | 108.4 | 169 | -50.4 | -7.6 | 0 | 0 | 0 | 116.2 | C954 | W941-C954 PolarHBondContact NE1-SG 2.92Š| ||
| 942 | S | 21 | Very low | 24.7 | Very low | 55 Ų | 55 | 126.6 Ų | 126.6 | 39% | 0.385 | 62% | 0.623 | S | S | . | * | cis | 66.7 | 116 | 46.7 | 88.7 | 0 | 0 | 0 | 0 | 115 | R955 | S942-R955 PolarHBondContact OG-N 3.33Š| ||
| 943 | Y | 19.3 | Very low | 25.2 | Very low | 194 Ų | 194 | 131.3 Ų | 131.3 | 76% | 0.761 | 64% | 0.64 | S | S | * | * | trans | 44.6 | 98 | 156.3 | -94.9 | -90 | 0 | 0 | 0 | 118.8 | R945 | Y943-R945 HydrophobicContact CD1-CB 4.18Š| ||
| 944 | N | 23.2 | Very low | 25.1 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 72% | 0.717 | 64% | 0.636 | S | S | * | * | trans | -122.9 | 72.5 | 150.2 | -132.5 | -13.5 | 0 | 0 | 0 | 108.5 | K946 | N944-K946 PolarHBondContact OD1-N 2.79Š| ||
| 945 | R | 19 | Very low | 25.1 | Very low | 210 Ų | 210 | 131 Ų | 131 | 79% | 0.792 | 64% | 0.636 | S | S | * | * | -59.9 | 97.7 | 67.4 | -62.5 | -175.6 | -176.7 | 178.2 | 1.8 | 116.7 | Y943 | Y943-R945 HydrophobicContact CD1-CB 4.18Š| |||
| 946 | K | 19.9 | Very low | 25.3 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 48% | 0.483 | 64% | 0.638 | S | S | . | * | -107.9 | 108.2 | 103.3 | -74 | -176.6 | 174.1 | 173.4 | 0 | 109.7 | N944 R948 L950 N951 | N944-K946 PolarHBondContact OD1-N 2.79Å; K946-R948 VanDerWaalsContact CB-O 3.3Å; K946-R948 WeakPolarHBondContact CB-O 3.39Å; K946-L950 PolarHBondContact NZ-O 2.98Å; K946-N951 PolarHBondContact NZ-O 3.41Å | |||
| 947 | S | 19.1 | Very low | 25.5 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 66% | 0.657 | 65% | 0.654 | S | S | * | * | trans | -59.2 | 133.5 | 137 | 45.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 948 | R | 20.4 | Very low | 25.8 | Very low | 217 Ų | 217 | 141.7 Ų | 141.7 | 82% | 0.819 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 84.2 | 116.5 | -166 | -50.6 | 150.4 | -177.1 | 178.3 | -0.2 | 114.1 | K946 | K946-R948 VanDerWaalsContact CB-O 3.3Å; K946-R948 WeakPolarHBondContact CB-O 3.39Å |
| 949 | K | 34.5 | Very low | 26.3 | Very low | 192 Ų | 192 | 146.1 Ų | 146.1 | 84% | 0.835 | 68% | 0.684 | S | S | * | * | trans | -9.9 | 154.3 | 134.4 | -46.9 | 175 | -179.1 | -177.9 | 0 | 115.1 | ||||
| 950 | L | 31.1 | Very low | 26.9 | Very low | 134 Ų | 134 | 148 Ų | 148 | 70% | 0.702 | 69% | 0.69 | S | S | * | * | trans | 89.1 | 118.6 | 162.5 | -46.6 | 135.2 | 0 | 0 | 0 | 118.1 | K946 | K946-L950 PolarHBondContact NZ-O 2.98Š| ||
| 951 | N | 37.1 | Very low | 27.4 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | trans | 45.7 | 140.6 | 137.4 | -51.2 | -1.4 | 0 | 0 | 0 | 123.1 | K946 | K946-N951 PolarHBondContact NZ-O 3.41Š| ||
| 952 | S | 37.8 | Very low | 27.7 | Very low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | 75.1 | 125.5 | 150.8 | 60.7 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 953 | K | 35.1 | Very low | 28 | Very low | 192 Ų | 192 | 152.4 Ų | 152.4 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | 66.6 | 69.5 | 140.1 | -55.9 | -179.3 | 179 | -176.8 | 0 | 127 | ||||
| 954 | C | 24.7 | Very low | 28.5 | Very low | 76 Ų | 76 | 153.4 Ų | 153.4 | 51% | 0.514 | 75% | 0.748 | S | S | . | * | trans | 77.6 | 135.2 | 131.5 | -52.1 | 0 | 0 | 0 | 0 | 132.6 | W941 | W941-C954 PolarHBondContact NE1-SG 2.92Š| ||
| 955 | R | 25.6 | Very low | 28.6 | Very low | 161 Ų | 161 | 151.9 Ų | 151.9 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | trans | 92.9 | 170.9 | 134.4 | -76.6 | 175 | -175.4 | -179.1 | 4.9 | 127.8 | D940 S942 | D940-R955 VanDerWaalsContact CG-NE 3.35Å; D940-R955 VanDerWaalsContact OD1-CG 3.31Å; D940-R955 WeakPolarHBondContact OD1-CG 3.41Å; D940-R955 IonicContact OD1-CZ 2.62Å; D940-R955 IonicContact OD1-NE 3.89Å; D940-R955 PolarHBondContact OD1-NE 3.12Å; D940-R955 IonicContact OD1-NH2 2.75Å; D940-R955 PolarHBondContact OD1-NH2 2.77Å; D940-R955 IonicContact OD2-CZ 2.63Å; D940-R955 IonicContact OD2-NE 2.86Å; D940-R955 PolarHBondContact OD2-NE 2.76Å; D940-R955 IonicContact OD2-NH2 2.96Å; D940-R955 PolarHBondContact OD2-NH2 2.77Å; S942-R955 PolarHBondContact OG-N 3.33Å | ||
| 956 | S | 28.6 | Very low | 28.8 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | 101.1 | 161.5 | 169.7 | 75.1 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 957 | Y | 25.9 | Very low | 29 | Very low | 228 Ų | 228 | 148.5 Ų | 148.5 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | cis | -171 | 155.1 | -37.8 | -112.4 | -67.3 | 0 | 0 | 0 | 118.3 | ||||
| 958 | R | 29.2 | Very low | 29.3 | Very low | 228 Ų | 228 | 155.5 Ų | 155.5 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | 53.1 | 131.8 | 155.7 | -130.3 | -174.2 | -168 | -177.2 | 6 | 127.3 | ||||
| 959 | N | 33.3 | Very low | 29.4 | Very low | 132 Ų | 132 | 149.1 Ų | 149.1 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | 56.5 | 149.5 | 147.8 | -75.8 | 27.5 | 0 | 0 | 0 | 131.1 | ||||
| 960 | F | 33 | Very low | 28.9 | Very low | 197 Ų | 197 | 148.5 Ų | 148.5 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | 85.4 | -178.7 | 152.2 | -87.1 | -65.4 | 0 | 0 | 0 | 125.8 | ||||
| 961 | S | 31.6 | Very low | 28.6 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -149.9 | 153.6 | -146 | 60.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 962 | G | 31.7 | Very low | 27.9 | Very low | 82 Ų | 82 | 150.4 Ų | 150.4 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | 153.1 | 134.2 | 153.3 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 963 | M | 28.6 | Very low | 27.3 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | trans | 38.2 | 135.4 | 147.3 | -77 | 168.9 | 64.5 | 0 | 0 | 130.8 | ||||
| 964 | R | 28.2 | Very low | 26.7 | Very low | 216 Ų | 216 | 147.5 Ų | 147.5 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | trans | 80.9 | 122 | 138.3 | -74.9 | -171.2 | -179.8 | -164.8 | 3.9 | 127.9 | ||||
| 965 | S | 26.8 | Very low | 26.5 | Very low | 102 Ų | 102 | 149.6 Ų | 149.6 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | 73.1 | 130.2 | 132.9 | 68 | 0 | 0 | 0 | 0 | 128.6 | ||||
| 966 | C | 23.5 | Very low | 26.3 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | trans | 74.4 | 162.1 | 139.1 | -69.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 967 | V | 23.5 | Very low | 26 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 76% | 0.758 | 72% | 0.724 | S | S | * | * | cis | -175.1 | 159.5 | -31.5 | 72.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 968 | R | 24.1 | Very low | 25.8 | Very low | 242 Ų | 242 | 144.2 Ų | 144.2 | 91% | 0.913 | 72% | 0.72 | S | S | * | * | trans | 66.5 | 161.9 | 171.9 | -84.3 | -168.6 | 171.5 | 176.1 | -2.1 | 117 | ||||
| 969 | A | 24.2 | Very low | 25.5 | Very low | 83 Ų | 83 | 137.7 Ų | 137.7 | 69% | 0.686 | 71% | 0.708 | S | S | * | * | cis | -172.3 | 177 | -19 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 970 | K | 24.1 | Very low | 24.9 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 77% | 0.774 | 71% | 0.709 | S | S | * | * | trans | 101.1 | 135.5 | 156.2 | -70.9 | -171.2 | 174.4 | -177.4 | 0 | 121.9 | ||||
| 971 | W | 23.3 | Very low | 24.4 | Very low | 219 Ų | 219 | 135.4 Ų | 135.4 | 83% | 0.83 | 70% | 0.696 | S | S | * | * | trans | 85.3 | 103.7 | 134.5 | -82 | 22.9 | 0 | 0 | 0 | 122.4 | ||||
| 972 | S | 22.9 | Very low | 24 | Very low | 89 Ų | 89 | 141 Ų | 141 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | 82.9 | 140.3 | 105.3 | -150.6 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 973 | K | 25.3 | Very low | 23.5 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 66% | 0.661 | 69% | 0.687 | S | S | * | * | trans | 88.6 | 107.9 | 142.3 | -89.6 | 163.3 | 173.3 | -80.8 | 0 | 121 | ||||
| 974 | Q | 23.3 | Very low | 23.2 | Very low | 79 Ų | 79 | 139.1 Ų | 139.1 | 37% | 0.369 | 68% | 0.68 | S | S | . | * | 64.1 | 94.5 | 95.4 | -173.4 | 166.6 | 83.3 | 0 | 0 | 116.7 | D1076 | Q974-D1076 WeakPolarHBondContact CB-OD1 3.08Å; Q974-D1076 WeakPolarHBondContact CG-OD1 3.49Å; Q974-D1076 PolarHBondContact NE2-OD1 3.34Å; Q974-D1076 PolarHBondContact NE2-OD2 3.3Å | |||
| 975 | K | 19.9 | Very low | 22.9 | Very low | 120 Ų | 120 | 131 Ų | 131 | 52% | 0.522 | 66% | 0.657 | S | S | . | * | 174.8 | 137.5 | 88.1 | -68.1 | -123.4 | 92.1 | 113.8 | 0 | 117.1 | D1075 D1076 | K975-D1075 WeakPolarHBondContact CA-OD2 3.46Å; K975-D1075 WeakPolarHBondContact CB-OD2 3.13Å; K975-D1075 WeakPolarHBondContact CD-OD2 3.11Å; K975-D1075 VanDerWaalsContact CE-CG 3.46Å; K975-D1075 WeakPolarHBondContact CE-OD2 3.04Å; K975-D1075 WeakPolarHBondContact CG-OD2 3.13Å; K975-D1075 IonicContact NZ-OD2 3.96Å; K975-D1076 WeakPolarHBondContact CE-OD2 3.04Å; K975-D1076 IonicContact NZ-OD2 2.67Å; K975-D1076 PolarHBondContact NZ-OD2 3.24Å | |||
| 976 | H | 21.9 | Very low | 22.7 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 36% | 0.356 | 65% | 0.652 | S | S | . | * | trans | 76.4 | 130.6 | 130.5 | -86.9 | -31.5 | 0 | 0 | 0 | 124.5 | G1074 D1075 | H976-G1074 PolarHBondContact CE1-O 2.65Å; H976-G1074 PolarHBondContact ND1-O 2.73Å; H976-D1075 WeakPolarHBondContact CA-OD2 3.41Å; H976-D1075 WeakPolarHBondContact CB-OD2 3.19Å; H976-D1075 IonicContact CD2-OD2 3.94Å; H976-D1075 PolarHBondContact CD2-OD2 3.32Å; H976-D1075 VanDerWaalsContact CE1-CB 3.47Å; H976-D1075 WeakPolarHBondContact CE1-CB 2.88Å; H976-D1075 IonicContact CE1-OD2 3.32Å; H976-D1075 PolarHBondContact CE1-OD2 3.38Å; H976-D1075 VanDerWaalsContact CE1-OD2 3.3Å; H976-D1075 IonicContact CG-OD2 3.62Å; H976-D1075 PolarHBondContact N-OD1 2.79Å; H976-D1075 PolarHBondContact N-OD2 2.68Å; H976-D1075 WeakPolarHBondContact ND1-CB 3.38Å; H976-D1075 IonicContact ND1-OD1 3.78Å; H976-D1075 IonicContact ND1-OD2 2.87Å; H976-D1075 PolarHBondContact ND1-OD2 3.45Å; H976-D1075 IonicContact NE2-OD2 3.3Å | ||
| 977 | K | 21.8 | Very low | 22.8 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 56% | 0.561 | 64% | 0.641 | S | S | * | * | 73.5 | 106.4 | 129 | -74.5 | 166.6 | -177.3 | 150.4 | 0 | 117 | |||||
| 978 | Q | 21 | Very low | 22.7 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 81% | 0.808 | 63% | 0.63 | S | S | * | * | 42.7 | 128.8 | 51.8 | -100.8 | -156.2 | 44.5 | 0 | 0 | 112.8 | |||||
| 979 | P | 24.7 | Very low | 22.6 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 60% | 0.597 | 62% | 0.618 | S | S | * | * | -159.3 | 172.3 | 63.1 | 44.3 | -25.3 | 0 | 0 | 0 | 118.4 | |||||
| 980 | R | 20.1 | Very low | 22.6 | Very low | 197 Ų | 197 | 129.5 Ų | 129.5 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | trans | 70.4 | 147.8 | 143.2 | -76.7 | 156.2 | -175.9 | -169.4 | -1.8 | 119.1 | ||||
| 981 | S | 22.7 | Very low | 22.5 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 58% | 0.58 | 62% | 0.615 | S | S | * | * | cis | -177.8 | 154.8 | -17.5 | 50.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 982 | R | 22.5 | Very low | 22.6 | Very low | 233 Ų | 233 | 124.4 Ų | 124.4 | 88% | 0.879 | 61% | 0.61 | S | S | * | * | trans | 70 | 149.1 | 140.7 | -81 | 171.2 | 171.8 | 173 | -6.1 | 116.2 | ||||
| 983 | S | 22 | Very low | 22.9 | Very low | 83 Ų | 83 | 124.6 Ų | 124.6 | 58% | 0.58 | 61% | 0.608 | S | S | * | * | cis | -160 | 146 | -6.7 | 43.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 984 | D | 21.8 | Very low | 23.2 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 67% | 0.668 | 61% | 0.611 | S | S | * | * | 28.5 | 135 | 94.7 | -92 | -30.1 | 0 | 0 | 0 | 114.7 | |||||
| 985 | S | 21.5 | Very low | 23.4 | Very low | 47 Ų | 47 | 126.9 Ų | 126.9 | 33% | 0.329 | 62% | 0.62 | S | S | . | * | cis | 172.5 | 172.6 | 20 | 47.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 986 | H | 22.9 | Very low | 24.1 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 61% | 0.611 | 62% | 0.621 | S | S | * | * | trans | 62.3 | 126.1 | 151.9 | -52.7 | -37.4 | 0 | 0 | 0 | 116.7 | ||||
| 987 | K | 25 | Very low | 24.5 | Very low | 141 Ų | 141 | 123.8 Ų | 123.8 | 61% | 0.613 | 62% | 0.617 | S | S | * | * | -163.9 | 153.3 | 59.2 | -107.2 | 112.3 | 179.9 | -178.7 | 0 | 114.2 | K1754 E1757 | K987-K1754 PolarHBondContact O-NZ 2.59Å; K987-E1757 PolarHBondContact N-OE1 3.08Å; K987-E1757 VanDerWaalsContact O-OE2 3.11Å | |||
| 988 | S | 21.7 | Very low | 25.2 | Very low | 75 Ų | 75 | 123.2 Ų | 123.2 | 52% | 0.524 | 63% | 0.63 | S | S | . | * | trans | 20 | 118.6 | 144.1 | 63.2 | 0 | 0 | 0 | 0 | 119.7 | K1754 | S988-K1754 WeakPolarHBondContact O-CE 3.42Å; S988-K1754 PolarHBondContact O-NZ 3.2Å | ||
| 989 | E | 21.9 | Very low | 26 | Very low | 141 Ų | 141 | 116.9 Ų | 116.9 | 66% | 0.659 | 60% | 0.602 | S | S | * | * | 43.6 | 132.4 | 94 | -166.1 | -156.2 | -100.6 | 0 | 0 | 118 | |||||
| 990 | K | 24.4 | Very low | 27.2 | Very low | 155 Ų | 155 | 117.1 Ų | 117.1 | 67% | 0.674 | 60% | 0.595 | S | S | * | * | trans | 120.2 | 137.2 | 151.5 | -72.2 | -171.1 | 157.9 | 69.6 | 0 | 117.6 | ||||
| 991 | I | 22.5 | Very low | 28 | Very low | 141 Ų | 141 | 111.2 Ų | 111.2 | 72% | 0.723 | 59% | 0.588 | S | S | * | * | trans | 75 | 135 | 137.9 | -76.5 | 172.1 | 0 | 0 | 0 | 116.3 | ||||
| 992 | M | 24.3 | Very low | 28.7 | Very low | 148 Ų | 148 | 114 Ų | 114 | 73% | 0.729 | 59% | 0.592 | S | S | * | * | cis | -160.4 | 178.3 | 3.3 | -131.6 | 171 | 137 | 0 | 0 | 111.3 | ||||
| 993 | T | 30.7 | Very low | 29.8 | Very low | 94 Ų | 94 | 105.6 Ų | 105.6 | 58% | 0.577 | 56% | 0.563 | S | S | * | * | trans | 49.7 | 134 | 147.8 | 50.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 994 | D | 31.3 | Very low | 30.6 | Very low | 134 Ų | 134 | 105.8 Ų | 105.8 | 72% | 0.717 | 56% | 0.556 | S | S | * | * | cis | -136 | 159.7 | 7.2 | -69.2 | -58.7 | 0 | 0 | 0 | 109.1 | ||||
| 995 | Y | 27.4 | Very low | 31.5 | Very low | 145 Ų | 145 | 102.5 Ų | 102.5 | 57% | 0.569 | 54% | 0.539 | S | S | * | . | cis | 75.4 | 139.6 | 31.7 | -74.5 | -89.4 | 0 | 0 | 0 | 115.8 | D999 | Y995-D999 VanDerWaalsContact C-OD1 3.25Å; Y995-D999 WeakPolarHBondContact CA-OD1 3.22Å; Y995-D999 PolarHBondContact N-OD1 3.43Å | ||
| 996 | S | 34.9 | Very low | 32.4 | Very low | 78 Ų | 78 | 103 Ų | 103 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | trans | 85.1 | 128.8 | 170.6 | 82.8 | 0 | 0 | 0 | 0 | 117.8 | D999 | S996-D999 PolarHBondContact N-OD1 3.13Š| ||
| 997 | L | 29.6 | Very low | 32.9 | Very low | 53 Ų | 53 | 101.1 Ų | 101.1 | 28% | 0.277 | 53% | 0.531 | S | S | . | . | S | Bend | cis | -157.8 | 2.9 | -3.3 | -123.3 | 167.9 | 0 | 0 | 0 | 117.8 | D999 L1285 | L997-D999 CarbonylContact C-O 3.58Å; L997-D999 VanDerWaalsContact CA-O 3.31Å; L997-D999 WeakPolarHBondContact CA-O 3.1Å; L997-D999 CarbonylContact O-C 2.84Å; L997-L1285 VanDerWaalsContact CD1-C 3.47Å; L997-L1285 VanDerWaalsContact CD1-N 3.33Å |
| 998 | S | 35.9 | Very low | 33.3 | Very low | 118 Ų | 118 | 98 Ų | 98 | 83% | 0.825 | 52% | 0.521 | S | S | * | . | S | Bend | cis | 65.8 | 23.5 | -10.5 | -155.1 | 0 | 0 | 0 | 0 | 123.9 | H1000 | S998-H1000 VanDerWaalsContact N-N 3.15Š|
| 999 | D | 38.5 | Very low | 34.4 | Very low | 40 Ų | 40 | 97 Ų | 97 | 21% | 0.214 | 51% | 0.511 | C | S | . | . | cis | 25.2 | 64.6 | -12.4 | -65.3 | 171.9 | 0 | 0 | 0 | 120 | Y995 S996 L997 E1003 | Y995-D999 VanDerWaalsContact C-OD1 3.25Å; Y995-D999 WeakPolarHBondContact CA-OD1 3.22Å; Y995-D999 PolarHBondContact N-OD1 3.43Å; S996-D999 PolarHBondContact N-OD1 3.13Å; L997-D999 CarbonylContact C-O 3.58Å; L997-D999 VanDerWaalsContact CA-O 3.31Å; L997-D999 WeakPolarHBondContact CA-O 3.1Å; L997-D999 CarbonylContact O-C 2.84Å; D999-E1003 HydrophobicContact CB-CB 4.08Å; D999-E1003 WeakPolarHBondContact O-CB 2.95Å | ||
| 1000 | H | 50 | Low | 35.3 | Very low | 97 Ų | 97 | 93.4 Ų | 93.4 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -141.6 | -13.4 | 150.6 | -134.9 | 67.5 | 0 | 0 | 0 | 115.5 | S998 E1003 L1004 | S998-H1000 VanDerWaalsContact N-N 3.15Å; H1000-E1003 IonicContact CE1-OE2 2.76Å; H1000-E1003 PolarHBondContact CE1-OE2 3.37Å; H1000-E1003 IonicContact ND1-OE2 4Å; H1000-E1003 PolarHBondContact ND1-OE2 2.74Å; H1000-L1004 WeakPolarHBondContact O-CB 3.19Å; H1000-L1004 WeakPolarHBondContact O-CG 3.25Å; H1000-L1004 PolarHBondContact O-N 3.34Å |
| 1001 | A | 35.8 | Very low | 36 | Very low | 73 Ų | 73 | 88.1 Ų | 88.1 | 60% | 0.603 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -89.9 | -40.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1004 L1005 | A1001-L1004 PolarHBondContact O-N 2.88Å; A1001-L1005 VanDerWaalsContact O-CB 3.28Å; A1001-L1005 WeakPolarHBondContact O-CB 2.98Å; A1001-L1005 PolarHBondContact O-N 2.78Å |
| 1002 | E | 38.6 | Very low | 36.6 | Very low | 142 Ų | 142 | 84.8 Ų | 84.8 | 66% | 0.664 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -86.5 | 15 | 159.9 | -80.7 | -169.7 | 125.8 | 0 | 0 | 113.7 | N1006 | E1002-N1006 VanDerWaalsContact O-CB 3.25Å; E1002-N1006 WeakPolarHBondContact O-CB 3.35Å; E1002-N1006 PolarHBondContact O-ND2 2.74Å |
| 1003 | E | 45 | Very low | 37.1 | Very low | 56 Ų | 56 | 80.9 Ų | 80.9 | 26% | 0.262 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -103.1 | -36.7 | 146.7 | -151.3 | 172 | -131.7 | 0 | 0 | 112 | D999 H1000 N1006 L1007 | D999-E1003 HydrophobicContact CB-CB 4.08Å; D999-E1003 WeakPolarHBondContact O-CB 2.95Å; H1000-E1003 IonicContact CE1-OE2 2.76Å; H1000-E1003 PolarHBondContact CE1-OE2 3.37Å; H1000-E1003 IonicContact ND1-OE2 4Å; H1000-E1003 PolarHBondContact ND1-OE2 2.74Å; E1003-N1006 CarbonylContact O-C 3.38Å; E1003-N1006 WeakPolarHBondContact O-CA 3.36Å; E1003-N1006 PolarHBondContact O-N 2.77Å; E1003-L1007 WeakPolarHBondContact O-CA 3.41Å; E1003-L1007 VanDerWaalsContact O-CB 3.23Å; E1003-L1007 WeakPolarHBondContact O-CB 3.19Å; E1003-L1007 PolarHBondContact O-N 3.39Å |
| 1004 | L | 38.9 | Very low | 37.2 | Very low | 86 Ų | 86 | 78.2 Ų | 78.2 | 45% | 0.45 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -75.3 | -20.5 | 176 | -82.8 | 164.5 | 0 | 0 | 0 | 115.7 | H1000 A1001 L1007 I1008 | H1000-L1004 WeakPolarHBondContact O-CB 3.19Å; H1000-L1004 WeakPolarHBondContact O-CG 3.25Å; H1000-L1004 PolarHBondContact O-N 3.34Å; A1001-L1004 PolarHBondContact O-N 2.88Å; L1004-L1007 HydrophobicContact CD2-CB 4.1Å; L1004-L1007 HydrophobicContact CD2-CD2 3.8Å; L1004-L1007 CarbonylContact O-C 2.82Å; L1004-L1007 VanDerWaalsContact O-CA 3.26Å; L1004-L1007 WeakPolarHBondContact O-CA 2.93Å; L1004-L1007 WeakPolarHBondContact O-CB 2.93Å; L1004-L1007 PolarHBondContact O-N 2.61Å; L1004-I1008 PolarHBondContact O-N 2.76Å |
| 1005 | L | 39.9 | Very low | 37.2 | Very low | 57 Ų | 57 | 75.7 Ų | 75.7 | 30% | 0.298 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -97.1 | -23.2 | 169.2 | -68.3 | 164.3 | 0 | 0 | 0 | 111.6 | A1001 L1007 I1008 V1009 V1228 F1229 | A1001-L1005 VanDerWaalsContact O-CB 3.28Å; A1001-L1005 WeakPolarHBondContact O-CB 2.98Å; A1001-L1005 PolarHBondContact O-N 2.78Å; L1005-L1007 PolarHBondContact O-N 3.18Å; L1005-I1008 HydrophobicContact CD2-CD1 4.42Å; L1005-I1008 PolarHBondContact O-N 3.32Å; L1005-V1009 PolarHBondContact O-N 3.27Å; L1005-V1228 HydrophobicContact CD1-CB 3.78Å; L1005-V1228 HydrophobicContact CD1-CG1 3.96Å; L1005-V1228 HydrophobicContact CD1-CG2 4.07Å; L1005-V1228 HydrophobicContact CD2-CB 4.02Å; L1005-V1228 HydrophobicContact CD2-CG1 3.9Å; L1005-V1228 HydrophobicContact CG-CG1 4.35Å; L1005-F1229 HydrophobicContact CD2-CD2 4.45Å; L1005-F1229 HydrophobicContact CD2-CE2 3.53Å; L1005-F1229 HydrophobicContact CD2-CZ 4Å |
| 1006 | N | 42.4 | Very low | 37.6 | Very low | 58 Ų | 58 | 71.1 Ų | 71.1 | 31% | 0.31 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -0.4 | 143.3 | -78.4 | -37.4 | 0 | 0 | 0 | 112.6 | E1002 E1003 M1010 S1011 | E1002-N1006 VanDerWaalsContact O-CB 3.25Å; E1002-N1006 WeakPolarHBondContact O-CB 3.35Å; E1002-N1006 PolarHBondContact O-ND2 2.74Å; E1003-N1006 CarbonylContact O-C 3.38Å; E1003-N1006 WeakPolarHBondContact O-CA 3.36Å; E1003-N1006 PolarHBondContact O-N 2.77Å; N1006-M1010 HydrophobicContact CB-CB 4.45Å; N1006-M1010 HydrophobicContact CB-CG 3.96Å; N1006-M1010 HydrophobicContact CB-SD 3.86Å; N1006-M1010 CarbonylContact O-C 3.52Å; N1006-M1010 WeakPolarHBondContact O-CA 3.28Å; N1006-M1010 WeakPolarHBondContact O-CB 3.46Å; N1006-M1010 PolarHBondContact O-N 3.35Å; N1006-S1011 PolarHBondContact O-N 3.25Å |
| 1007 | L | 32.9 | Very low | 37.8 | Very low | 91 Ų | 91 | 71.9 Ų | 71.9 | 48% | 0.476 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 19.6 | 169.2 | -148 | 77.2 | 0 | 0 | 0 | 111.3 | E1003 L1004 L1005 S1011 | E1003-L1007 WeakPolarHBondContact O-CA 3.41Å; E1003-L1007 VanDerWaalsContact O-CB 3.23Å; E1003-L1007 WeakPolarHBondContact O-CB 3.19Å; E1003-L1007 PolarHBondContact O-N 3.39Å; L1004-L1007 HydrophobicContact CD2-CB 4.1Å; L1004-L1007 HydrophobicContact CD2-CD2 3.8Å; L1004-L1007 CarbonylContact O-C 2.82Å; L1004-L1007 VanDerWaalsContact O-CA 3.26Å; L1004-L1007 WeakPolarHBondContact O-CA 2.93Å; L1004-L1007 WeakPolarHBondContact O-CB 2.93Å; L1004-L1007 PolarHBondContact O-N 2.61Å; L1005-L1007 PolarHBondContact O-N 3.18Å; L1007-S1011 VanDerWaalsContact C-CB 3.5Å; L1007-S1011 VanDerWaalsContact C-N 3.33Å; L1007-S1011 VanDerWaalsContact C-OG 3.24Å; L1007-S1011 WeakPolarHBondContact O-CB 3.3Å; L1007-S1011 PolarHBondContact O-OG 2.97Å |
| 1008 | I | 33.3 | Very low | 38 | Very low | 77 Ų | 77 | 73.2 Ų | 73.2 | 40% | 0.395 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | -12.7 | 163.3 | -55.9 | 176.9 | 0 | 0 | 0 | 111.1 | L1004 L1005 S1011 R1012 F1229 R1231 | L1004-I1008 PolarHBondContact O-N 2.76Å; L1005-I1008 HydrophobicContact CD2-CD1 4.42Å; L1005-I1008 PolarHBondContact O-N 3.32Å; I1008-S1011 WeakPolarHBondContact CA-OG 3.4Å; I1008-R1012 WeakPolarHBondContact O-CB 3.16Å; I1008-R1012 PolarHBondContact O-N 3.46Å; I1008-F1229 HydrophobicContact CB-CD2 4.36Å; I1008-F1229 HydrophobicContact CB-CE2 3.44Å; I1008-F1229 VanDerWaalsContact CB-CE2 3.44Å; I1008-F1229 HydrophobicContact CB-CZ 3.95Å; I1008-F1229 HydrophobicContact CG2-CD2 3.66Å; I1008-F1229 HydrophobicContact CG2-CE2 3.21Å; I1008-F1229 HydrophobicContact CG2-CZ 3.98Å; I1008-R1231 PolarHBondContact O-NH2 3.34Å |
| 1009 | V | 45.3 | Very low | 38.2 | Very low | 53 Ų | 53 | 70.7 Ų | 70.7 | 32% | 0.321 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -108.9 | -23.5 | 157.5 | 132.3 | 0 | 0 | 0 | 0 | 114.5 | L1005 R1012 D1013 F1229 | L1005-V1009 PolarHBondContact O-N 3.27Å; V1009-R1012 CarbonylContact O-C 3.55Å; V1009-D1013 WeakPolarHBondContact O-CA 3.42Å; V1009-D1013 WeakPolarHBondContact O-CB 3.44Å; V1009-D1013 PolarHBondContact O-N 3.41Å; V1009-F1229 HydrophobicContact CB-CE1 3.75Å; V1009-F1229 HydrophobicContact CB-CZ 3.89Å; V1009-F1229 HydrophobicContact CG2-CD1 4.22Å; V1009-F1229 HydrophobicContact CG2-CE1 3.36Å; V1009-F1229 HydrophobicContact CG2-CZ 3.96Å |
| 1010 | M | 40.4 | Very low | 38.4 | Very low | 65 Ų | 65 | 72.4 Ų | 72.4 | 32% | 0.32 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 23.3 | 149.9 | -28.7 | 163.8 | 36.4 | 0 | 0 | 113.7 | N1006 D1013 A1014 | N1006-M1010 HydrophobicContact CB-CB 4.45Å; N1006-M1010 HydrophobicContact CB-CG 3.96Å; N1006-M1010 HydrophobicContact CB-SD 3.86Å; N1006-M1010 CarbonylContact O-C 3.52Å; N1006-M1010 WeakPolarHBondContact O-CA 3.28Å; N1006-M1010 WeakPolarHBondContact O-CB 3.46Å; N1006-M1010 PolarHBondContact O-N 3.35Å; M1010-D1013 HydrophobicContact CB-CB 4.23Å; M1010-D1013 HydrophobicContact CG-CB 4.47Å; M1010-A1014 WeakPolarHBondContact O-CA 3.49Å; M1010-A1014 WeakPolarHBondContact O-CB 3.44Å; M1010-A1014 PolarHBondContact O-N 2.8Å |
| 1011 | S | 38.3 | Very low | 37.7 | Very low | 44 Ų | 44 | 73.9 Ų | 73.9 | 31% | 0.308 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 1.8 | 133.9 | 86.4 | 0 | 0 | 0 | 0 | 112.8 | N1006 L1007 I1008 A1014 C1015 | N1006-S1011 PolarHBondContact O-N 3.25Å; L1007-S1011 VanDerWaalsContact C-CB 3.5Å; L1007-S1011 VanDerWaalsContact C-N 3.33Å; L1007-S1011 VanDerWaalsContact C-OG 3.24Å; L1007-S1011 WeakPolarHBondContact O-CB 3.3Å; L1007-S1011 PolarHBondContact O-OG 2.97Å; I1008-S1011 WeakPolarHBondContact CA-OG 3.4Å; S1011-A1014 CarbonylContact O-C 3.55Å; S1011-C1015 WeakPolarHBondContact O-CB 3.23Å; S1011-C1015 PolarHBondContact O-N 3.19Å; S1011-C1015 PolarHBondContact O-SG 3.26Å |
| 1012 | R | 35.8 | Very low | 37.7 | Very low | 72 Ų | 72 | 75.3 Ų | 75.3 | 27% | 0.272 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -29 | 149.6 | -164.1 | 153.9 | 92.5 | -178.4 | -6.3 | 112.4 | I1008 V1009 C1015 S1016 | I1008-R1012 WeakPolarHBondContact O-CB 3.16Å; I1008-R1012 PolarHBondContact O-N 3.46Å; V1009-R1012 CarbonylContact O-C 3.55Å; R1012-C1015 VanDerWaalsContact C-N 3.29Å; R1012-C1015 CarbonylContact O-C 3.55Å; R1012-C1015 VanDerWaalsContact O-CA 3.3Å; R1012-C1015 WeakPolarHBondContact O-CA 3.46Å; R1012-C1015 PolarHBondContact O-N 3.31Å; R1012-S1016 WeakPolarHBondContact O-CA 2.92Å; R1012-S1016 WeakPolarHBondContact O-CB 3.37Å; R1012-S1016 PolarHBondContact O-N 3.24Å |
| 1013 | D | 33.5 | Very low | 38 | Very low | 66 Ų | 66 | 76.5 Ų | 76.5 | 35% | 0.353 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -9.5 | 171.5 | -60.1 | -12.1 | 0 | 0 | 0 | 111.3 | V1009 M1010 C1015 S1016 M1017 E1018 | V1009-D1013 WeakPolarHBondContact O-CA 3.42Å; V1009-D1013 WeakPolarHBondContact O-CB 3.44Å; V1009-D1013 PolarHBondContact O-N 3.41Å; M1010-D1013 HydrophobicContact CB-CB 4.23Å; M1010-D1013 HydrophobicContact CG-CB 4.47Å; D1013-C1015 VanDerWaalsContact C-N 3.25Å; D1013-S1016 WeakPolarHBondContact OD1-CB 3.5Å; D1013-M1017 HydrophobicContact CB-CG 4.47Å; D1013-M1017 CarbonylContact O-C 3.37Å; D1013-M1017 WeakPolarHBondContact O-CA 3.18Å; D1013-M1017 WeakPolarHBondContact O-CB 3.21Å; D1013-M1017 PolarHBondContact O-N 3.36Å; D1013-E1018 PolarHBondContact O-N 2.81Å; D1013-E1018 VanDerWaalsContact O-N 3.11Å |
| 1014 | A | 33.1 | Very low | 37.7 | Very low | 38 Ų | 38 | 78.6 Ų | 78.6 | 31% | 0.314 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 32.1 | 141.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1010 S1011 E1018 | M1010-A1014 WeakPolarHBondContact O-CA 3.49Å; M1010-A1014 WeakPolarHBondContact O-CB 3.44Å; M1010-A1014 PolarHBondContact O-N 2.8Å; S1011-A1014 CarbonylContact O-C 3.55Å; A1014-E1018 HydrophobicContact CB-CB 4.3Å; A1014-E1018 WeakPolarHBondContact O-CB 3.38Å |
| 1015 | C | 32.3 | Very low | 37.6 | Very low | 81 Ų | 81 | 77.9 Ų | 77.9 | 55% | 0.547 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | 4.3 | 148.4 | -82.6 | 0 | 0 | 0 | 0 | 112 | S1011 R1012 D1013 V1019 | S1011-C1015 WeakPolarHBondContact O-CB 3.23Å; S1011-C1015 PolarHBondContact O-N 3.19Å; S1011-C1015 PolarHBondContact O-SG 3.26Å; R1012-C1015 VanDerWaalsContact C-N 3.29Å; R1012-C1015 CarbonylContact O-C 3.55Å; R1012-C1015 VanDerWaalsContact O-CA 3.3Å; R1012-C1015 WeakPolarHBondContact O-CA 3.46Å; R1012-C1015 PolarHBondContact O-N 3.31Å; D1013-C1015 VanDerWaalsContact C-N 3.25Å; C1015-V1019 WeakPolarHBondContact O-CB 3.48Å; C1015-V1019 WeakPolarHBondContact O-CG2 3.5Å |
| 1016 | S | 35.8 | Very low | 37.5 | Very low | 49 Ų | 49 | 80.3 Ų | 80.3 | 34% | 0.343 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | -38.3 | -176.9 | -158.2 | 0 | 0 | 0 | 0 | 111.1 | R1012 D1013 V1019 D1020 | R1012-S1016 WeakPolarHBondContact O-CA 2.92Å; R1012-S1016 WeakPolarHBondContact O-CB 3.37Å; R1012-S1016 PolarHBondContact O-N 3.24Å; D1013-S1016 WeakPolarHBondContact OD1-CB 3.5Å; S1016-V1019 CarbonylContact O-C 2.94Å; S1016-D1020 WeakPolarHBondContact O-CA 3.39Å; S1016-D1020 WeakPolarHBondContact O-CB 3.05Å; S1016-D1020 VanDerWaalsContact O-CG 3.24Å; S1016-D1020 PolarHBondContact O-N 2.6Å; S1016-D1020 VanDerWaalsContact O-OD2 3.08Å |
| 1017 | M | 37.7 | Very low | 37.6 | Very low | 94 Ų | 94 | 80.2 Ų | 80.2 | 46% | 0.463 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -85.8 | -4.9 | 147.3 | -50.3 | 168.8 | 40.1 | 0 | 0 | 113.3 | D1013 R1021 | D1013-M1017 HydrophobicContact CB-CG 4.47Å; D1013-M1017 CarbonylContact O-C 3.37Å; D1013-M1017 WeakPolarHBondContact O-CA 3.18Å; D1013-M1017 WeakPolarHBondContact O-CB 3.21Å; D1013-M1017 PolarHBondContact O-N 3.36Å; M1017-R1021 WeakPolarHBondContact O-CA 3.2Å; M1017-R1021 WeakPolarHBondContact O-CB 3.18Å; M1017-R1021 WeakPolarHBondContact O-CG 3.43Å; M1017-R1021 PolarHBondContact O-N 2.97Å |
| 1018 | E | 34.4 | Very low | 37.8 | Very low | 80 Ų | 80 | 82.7 Ų | 82.7 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -82.6 | -23.6 | 155.7 | -166.3 | 58.3 | -155 | 0 | 0 | 110 | D1013 A1014 M1022 | D1013-E1018 PolarHBondContact O-N 2.81Å; D1013-E1018 VanDerWaalsContact O-N 3.11Å; A1014-E1018 HydrophobicContact CB-CB 4.3Å; A1014-E1018 WeakPolarHBondContact O-CB 3.38Å; E1018-M1022 HydrophobicContact CG-CE 4.3Å; E1018-M1022 WeakPolarHBondContact O-CA 3.01Å; E1018-M1022 WeakPolarHBondContact O-CB 3.05Å; E1018-M1022 WeakPolarHBondContact O-CE 3.13Å; E1018-M1022 WeakPolarHBondContact O-CG 3.25Å; E1018-M1022 PolarHBondContact O-N 2.83Å |
| 1019 | V | 40.8 | Very low | 37.8 | Very low | 66 Ų | 66 | 83.8 Ų | 83.8 | 40% | 0.4 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -79.5 | -34.7 | 164.3 | 164.3 | 0 | 0 | 0 | 0 | 112.1 | C1015 S1016 M1022 R1023 | C1015-V1019 WeakPolarHBondContact O-CB 3.48Å; C1015-V1019 WeakPolarHBondContact O-CG2 3.5Å; S1016-V1019 CarbonylContact O-C 2.94Å; V1019-M1022 HydrophobicContact CG2-CE 3.92Å; V1019-M1022 CarbonylContact O-C 3.47Å; V1019-M1022 PolarHBondContact O-N 3.5Å; V1019-R1023 WeakPolarHBondContact O-CB 3.43Å; V1019-R1023 VanDerWaalsContact O-CG 3.32Å; V1019-R1023 WeakPolarHBondContact O-CG 3.49Å; V1019-R1023 PolarHBondContact O-N 3.07Å |
| 1020 | D | 42.4 | Very low | 37.3 | Very low | 75 Ų | 75 | 90.4 Ų | 90.4 | 40% | 0.401 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -88.5 | -15 | 177.3 | -68.9 | -43.5 | 0 | 0 | 0 | 113 | S1016 R1023 E1024 | S1016-D1020 WeakPolarHBondContact O-CA 3.39Å; S1016-D1020 WeakPolarHBondContact O-CB 3.05Å; S1016-D1020 VanDerWaalsContact O-CG 3.24Å; S1016-D1020 PolarHBondContact O-N 2.6Å; S1016-D1020 VanDerWaalsContact O-OD2 3.08Å; D1020-R1023 WeakPolarHBondContact OD1-CD 3.31Å; D1020-R1023 IonicContact OD1-NH1 3.57Å; D1020-E1024 VanDerWaalsContact O-CB 3.28Å; D1020-E1024 WeakPolarHBondContact O-CB 3.19Å; D1020-E1024 PolarHBondContact O-N 2.73Å |
| 1021 | R | 34.9 | Very low | 37.1 | Very low | 129 Ų | 129 | 95 Ų | 95 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -79.7 | -40.6 | 153.7 | -75.6 | 176.7 | -173.3 | 156.1 | -1.2 | 111.1 | M1017 R1023 E1024 D1025 | M1017-R1021 WeakPolarHBondContact O-CA 3.2Å; M1017-R1021 WeakPolarHBondContact O-CB 3.18Å; M1017-R1021 WeakPolarHBondContact O-CG 3.43Å; M1017-R1021 PolarHBondContact O-N 2.97Å; R1021-R1023 PolarHBondContact O-N 2.62Å; R1021-R1023 VanDerWaalsContact O-N 3.08Å; R1021-E1024 PolarHBondContact O-N 2.88Å; R1021-E1024 VanDerWaalsContact O-N 3.12Å; R1021-D1025 WeakPolarHBondContact O-CA 3.19Å; R1021-D1025 VanDerWaalsContact O-CB 3.24Å; R1021-D1025 WeakPolarHBondContact O-CB 3.21Å; R1021-D1025 PolarHBondContact O-N 2.81Å |
| 1022 | M | 37 | Very low | 36.8 | Very low | 103 Ų | 103 | 95.5 Ų | 95.5 | 51% | 0.507 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -55.7 | -30.7 | 166.4 | -84.5 | -175 | -84 | 0 | 0 | 110.9 | E1018 V1019 L1026 | E1018-M1022 HydrophobicContact CG-CE 4.3Å; E1018-M1022 WeakPolarHBondContact O-CA 3.01Å; E1018-M1022 WeakPolarHBondContact O-CB 3.05Å; E1018-M1022 WeakPolarHBondContact O-CE 3.13Å; E1018-M1022 WeakPolarHBondContact O-CG 3.25Å; E1018-M1022 PolarHBondContact O-N 2.83Å; V1019-M1022 HydrophobicContact CG2-CE 3.92Å; V1019-M1022 CarbonylContact O-C 3.47Å; V1019-M1022 PolarHBondContact O-N 3.5Å; M1022-L1026 WeakPolarHBondContact O-CB 3.34Å; M1022-L1026 WeakPolarHBondContact O-CD1 3.45Å; M1022-L1026 WeakPolarHBondContact O-CG 3.08Å; M1022-L1026 PolarHBondContact O-N 3.03Å |
| 1023 | R | 44.6 | Very low | 36.5 | Very low | 167 Ų | 167 | 98.1 Ų | 98.1 | 63% | 0.63 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -80.7 | -40.8 | 170.3 | -73.6 | 168.2 | 145.1 | -162.7 | -5.5 | 114.6 | V1019 D1020 R1021 S1027 | V1019-R1023 WeakPolarHBondContact O-CB 3.43Å; V1019-R1023 VanDerWaalsContact O-CG 3.32Å; V1019-R1023 WeakPolarHBondContact O-CG 3.49Å; V1019-R1023 PolarHBondContact O-N 3.07Å; D1020-R1023 WeakPolarHBondContact OD1-CD 3.31Å; D1020-R1023 IonicContact OD1-NH1 3.57Å; R1021-R1023 PolarHBondContact O-N 2.62Å; R1021-R1023 VanDerWaalsContact O-N 3.08Å; R1023-S1027 VanDerWaalsContact O-CB 3.25Å; R1023-S1027 WeakPolarHBondContact O-CB 3.32Å; R1023-S1027 PolarHBondContact O-N 2.96Å; R1023-S1027 PolarHBondContact O-OG 3.06Å |
| 1024 | E | 38 | Very low | 36.2 | Very low | 100 Ų | 100 | 99.1 Ų | 99.1 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -84.1 | -33.7 | -177.4 | -160 | 174.6 | 140.3 | 0 | 0 | 112.8 | D1020 R1021 S1027 R1028 | D1020-E1024 VanDerWaalsContact O-CB 3.28Å; D1020-E1024 WeakPolarHBondContact O-CB 3.19Å; D1020-E1024 PolarHBondContact O-N 2.73Å; R1021-E1024 PolarHBondContact O-N 2.88Å; R1021-E1024 VanDerWaalsContact O-N 3.12Å; E1024-S1027 CarbonylContact O-C 3.38Å; E1024-S1027 WeakPolarHBondContact O-CA 3.49Å; E1024-S1027 WeakPolarHBondContact O-CB 3.48Å; E1024-S1027 PolarHBondContact O-N 3.25Å; E1024-S1027 VanDerWaalsContact O-N 3.11Å; E1024-R1028 HydrophobicContact CG-CG 4.3Å; E1024-R1028 VanDerWaalsContact O-CB 3.26Å; E1024-R1028 WeakPolarHBondContact O-CB 3.4Å; E1024-R1028 WeakPolarHBondContact O-CD 3.44Å; E1024-R1028 WeakPolarHBondContact O-CG 3.49Å; E1024-R1028 PolarHBondContact O-N 2.7Å; E1024-R1028 IonicContact OE1-CZ 2.63Å; E1024-R1028 IonicContact OE1-NE 2.89Å; E1024-R1028 PolarHBondContact OE1-NE 3.19Å; E1024-R1028 IonicContact OE1-NH2 2.96Å; E1024-R1028 PolarHBondContact OE1-NH2 3.04Å |
| 1025 | D | 36.8 | Very low | 35.9 | Very low | 70 Ų | 70 | 106 Ų | 106 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.8 | -30.5 | 165.8 | -63.1 | -42.5 | 0 | 0 | 0 | 112 | R1021 S1027 R1028 L1029 | R1021-D1025 WeakPolarHBondContact O-CA 3.19Å; R1021-D1025 VanDerWaalsContact O-CB 3.24Å; R1021-D1025 WeakPolarHBondContact O-CB 3.21Å; R1021-D1025 PolarHBondContact O-N 2.81Å; D1025-S1027 VanDerWaalsContact C-N 3.34Å; D1025-R1028 PolarHBondContact O-N 3.35Å; D1025-R1028 IonicContact OD1-NH1 3.4Å; D1025-L1029 WeakPolarHBondContact O-CB 3.38Å; D1025-L1029 VanDerWaalsContact O-CG 3.25Å; D1025-L1029 WeakPolarHBondContact O-CG 3.25Å; D1025-L1029 PolarHBondContact O-N 3.12Å |
| 1026 | L | 37.4 | Very low | 35.7 | Very low | 109 Ų | 109 | 112.7 Ų | 112.7 | 57% | 0.571 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.5 | -39.6 | 159.8 | -80.4 | 172.5 | 0 | 0 | 0 | 111.4 | M1022 R1028 L1029 Y1030 | M1022-L1026 WeakPolarHBondContact O-CB 3.34Å; M1022-L1026 WeakPolarHBondContact O-CD1 3.45Å; M1022-L1026 WeakPolarHBondContact O-CG 3.08Å; M1022-L1026 PolarHBondContact O-N 3.03Å; L1026-R1028 PolarHBondContact O-N 3.28Å; L1026-L1029 PolarHBondContact O-N 2.67Å; L1026-Y1030 VanDerWaalsContact O-CB 3.31Å; L1026-Y1030 WeakPolarHBondContact O-CB 3.11Å; L1026-Y1030 PolarHBondContact O-N 2.86Å |
| 1027 | S | 45.8 | Very low | 35.1 | Very low | 55 Ų | 55 | 117.5 Ų | 117.5 | 39% | 0.385 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.9 | -28.5 | 178.6 | -63.1 | 0 | 0 | 0 | 0 | 113.3 | R1023 E1024 D1025 K1031 | R1023-S1027 VanDerWaalsContact O-CB 3.25Å; R1023-S1027 WeakPolarHBondContact O-CB 3.32Å; R1023-S1027 PolarHBondContact O-N 2.96Å; R1023-S1027 PolarHBondContact O-OG 3.06Å; E1024-S1027 CarbonylContact O-C 3.38Å; E1024-S1027 WeakPolarHBondContact O-CA 3.49Å; E1024-S1027 WeakPolarHBondContact O-CB 3.48Å; E1024-S1027 PolarHBondContact O-N 3.25Å; E1024-S1027 VanDerWaalsContact O-N 3.11Å; D1025-S1027 VanDerWaalsContact C-N 3.34Å; S1027-K1031 VanDerWaalsContact O-CB 3.31Å; S1027-K1031 WeakPolarHBondContact O-CB 3.45Å; S1027-K1031 VanDerWaalsContact O-CG 3.28Å; S1027-K1031 WeakPolarHBondContact O-CG 3.11Å; S1027-K1031 PolarHBondContact O-N 2.94Å |
| 1028 | R | 36.8 | Very low | 34.5 | Very low | 144 Ų | 144 | 118.3 Ų | 118.3 | 54% | 0.543 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -82.9 | -36.2 | 176.2 | -71.7 | 163.4 | -178.1 | -164.4 | 3.3 | 110 | E1024 D1025 L1026 K1031 A1032 | E1024-R1028 HydrophobicContact CG-CG 4.3Å; E1024-R1028 VanDerWaalsContact O-CB 3.26Å; E1024-R1028 WeakPolarHBondContact O-CB 3.4Å; E1024-R1028 WeakPolarHBondContact O-CD 3.44Å; E1024-R1028 WeakPolarHBondContact O-CG 3.49Å; E1024-R1028 PolarHBondContact O-N 2.7Å; E1024-R1028 IonicContact OE1-CZ 2.63Å; E1024-R1028 IonicContact OE1-NE 2.89Å; E1024-R1028 PolarHBondContact OE1-NE 3.19Å; E1024-R1028 IonicContact OE1-NH2 2.96Å; E1024-R1028 PolarHBondContact OE1-NH2 3.04Å; D1025-R1028 PolarHBondContact O-N 3.35Å; D1025-R1028 IonicContact OD1-NH1 3.4Å; L1026-R1028 PolarHBondContact O-N 3.28Å; R1028-K1031 PolarHBondContact O-N 3.3Å; R1028-A1032 WeakPolarHBondContact O-CA 3.35Å; R1028-A1032 WeakPolarHBondContact O-CB 3.25Å; R1028-A1032 PolarHBondContact O-N 2.67Å |
| 1029 | L | 33.2 | Very low | 33.9 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 52% | 0.524 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63 | -45.5 | 165.6 | -76 | 166.3 | 0 | 0 | 0 | 110.9 | D1025 L1026 K1031 A1032 N1033 | D1025-L1029 WeakPolarHBondContact O-CB 3.38Å; D1025-L1029 VanDerWaalsContact O-CG 3.25Å; D1025-L1029 WeakPolarHBondContact O-CG 3.25Å; D1025-L1029 PolarHBondContact O-N 3.12Å; L1026-L1029 PolarHBondContact O-N 2.67Å; L1029-K1031 PolarHBondContact O-N 1.8Å; L1029-A1032 PolarHBondContact O-N 2.76Å; L1029-N1033 VanDerWaalsContact O-CB 3.32Å; L1029-N1033 WeakPolarHBondContact O-CB 3.31Å; L1029-N1033 PolarHBondContact O-N 3.05Å |
| 1030 | Y | 35.2 | Very low | 33.1 | Very low | 191 Ų | 191 | 129.4 Ų | 129.4 | 75% | 0.749 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64 | -24.4 | 175.6 | -121.7 | -87.1 | 0 | 0 | 0 | 113.6 | L1026 S1034 | L1026-Y1030 VanDerWaalsContact O-CB 3.31Å; L1026-Y1030 WeakPolarHBondContact O-CB 3.11Å; L1026-Y1030 PolarHBondContact O-N 2.86Å; Y1030-S1034 WeakPolarHBondContact O-CB 3.06Å |
| 1031 | K | 35.4 | Very low | 32.2 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 71% | 0.709 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -96.4 | -26.6 | 176.7 | -74.4 | 175 | 178.8 | 172.3 | 0 | 114 | S1027 R1028 L1029 | S1027-K1031 VanDerWaalsContact O-CB 3.31Å; S1027-K1031 WeakPolarHBondContact O-CB 3.45Å; S1027-K1031 VanDerWaalsContact O-CG 3.28Å; S1027-K1031 WeakPolarHBondContact O-CG 3.11Å; S1027-K1031 PolarHBondContact O-N 2.94Å; R1028-K1031 PolarHBondContact O-N 3.3Å; L1029-K1031 PolarHBondContact O-N 1.8Å |
| 1032 | A | 32.7 | Very low | 31.6 | Very low | 53 Ų | 53 | 133.2 Ų | 133.2 | 44% | 0.438 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -77.5 | -46.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R1028 L1029 S1034 K1035 R1036 | R1028-A1032 WeakPolarHBondContact O-CA 3.35Å; R1028-A1032 WeakPolarHBondContact O-CB 3.25Å; R1028-A1032 PolarHBondContact O-N 2.67Å; L1029-A1032 PolarHBondContact O-N 2.76Å; A1032-S1034 PolarHBondContact O-N 3.43Å; A1032-K1035 PolarHBondContact O-N 2.98Å; A1032-R1036 PolarHBondContact O-N 2.57Å |
| 1033 | N | 28.7 | Very low | 31 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 68% | 0.679 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 16.5 | 170.3 | -69.9 | -9.8 | 0 | 0 | 0 | 113.1 | L1029 | L1029-N1033 VanDerWaalsContact O-CB 3.32Å; L1029-N1033 WeakPolarHBondContact O-CB 3.31Å; L1029-N1033 PolarHBondContact O-N 3.05Å |
| 1034 | S | 26.5 | Very low | 29.9 | Very low | 88 Ų | 88 | 134.3 Ų | 134.3 | 62% | 0.615 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | 10 | 162.5 | -153.8 | 0 | 0 | 0 | 0 | 113.3 | Y1030 A1032 | Y1030-S1034 WeakPolarHBondContact O-CB 3.06Å; A1032-S1034 PolarHBondContact O-N 3.43Å |
| 1035 | K | 28.6 | Very low | 29.1 | Very low | 183 Ų | 183 | 137 Ų | 137 | 80% | 0.796 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.6 | 0.9 | 169.8 | -78.2 | -158.3 | 173.1 | -174.2 | 0 | 117.3 | A1032 | A1032-K1035 PolarHBondContact O-N 2.98Š|
| 1036 | R | 26.1 | Very low | 28.5 | Very low | 221 Ų | 221 | 138.5 Ų | 138.5 | 83% | 0.834 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -128.6 | 14.5 | 165.7 | -77.2 | -163.1 | 178.1 | -176.8 | 2 | 117.4 | A1032 | A1032-R1036 PolarHBondContact O-N 2.57Š|
| 1037 | H | 25 | Very low | 27.7 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 69% | 0.69 | 68% | 0.68 | S | S | * | * | trans | -150.9 | 131.2 | 145.3 | -87.3 | -51.1 | 0 | 0 | 0 | 108.7 | ||||
| 1038 | T | 23.7 | Very low | 26.7 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | cis | 59.9 | 63.8 | -10.2 | 50.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1039 | R | 22.3 | Very low | 26 | Very low | 230 Ų | 230 | 143.9 Ų | 143.9 | 87% | 0.868 | 70% | 0.703 | S | S | * | * | -179.6 | 162.1 | 120.6 | -98.5 | 171.1 | 178.5 | -176.7 | -0.9 | 110.5 | |||||
| 1040 | L | 23.3 | Very low | 25.5 | Very low | 148 Ų | 148 | 147 Ų | 147 | 78% | 0.775 | 71% | 0.714 | S | S | * | * | trans | 73 | 70.6 | 172.2 | -58.8 | 172.4 | 0 | 0 | 0 | 116.7 | ||||
| 1041 | D | 23.6 | Very low | 25 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 66% | 0.658 | 72% | 0.717 | S | S | * | * | 67.4 | 122.8 | 109.3 | -56.2 | 3.6 | 0 | 0 | 0 | 121.9 | |||||
| 1042 | H | 22.2 | Very low | 24.3 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 75% | 0.745 | 73% | 0.726 | S | S | * | * | trans | 39.9 | 111 | 131 | -52.8 | -54.6 | 0 | 0 | 0 | 120 | ||||
| 1043 | N | 24.2 | Very low | 23.8 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | -161.3 | 134.6 | 99.2 | -92.4 | -49.1 | 0 | 0 | 0 | 108.6 | |||||
| 1044 | K | 21.6 | Very low | 23.6 | Very low | 167 Ų | 167 | 149.6 Ų | 149.6 | 73% | 0.726 | 74% | 0.737 | S | S | * | * | 56.5 | 133.3 | 86.2 | -60.1 | -175.5 | -158.1 | 167.2 | 0 | 112.5 | |||||
| 1045 | Q | 21.3 | Very low | 23.5 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 73% | 0.729 | 72% | 0.723 | S | S | * | * | cis | -162.1 | -178.4 | 4.9 | -125.8 | 166.6 | -57.1 | 0 | 0 | 109.9 | ||||
| 1046 | S | 24.2 | Very low | 23.5 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | trans | 61 | 109.6 | 173.5 | 46.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1047 | D | 21.1 | Very low | 23.4 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | 54.2 | 94.8 | 55.2 | -46.8 | -64.3 | 0 | 0 | 0 | 112 | |||||
| 1048 | N | 24.6 | Very low | 23.3 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | -170.6 | 122.6 | 119.2 | -96 | -41.6 | 0 | 0 | 0 | 113.7 | |||||
| 1049 | Q | 22.6 | Very low | 23.4 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 69% | 0.692 | 69% | 0.686 | S | S | * | * | 62 | 120.2 | 129.4 | -65.1 | 176.3 | 34.7 | 0 | 0 | 121.2 | |||||
| 1050 | H | 23.4 | Very low | 23.7 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 76% | 0.764 | 67% | 0.673 | S | S | * | * | trans | 53.4 | 99.9 | 140.6 | -56 | -58.8 | 0 | 0 | 0 | 119.2 | ||||
| 1051 | I | 23.7 | Very low | 23.8 | Very low | 156 Ų | 156 | 131 Ų | 131 | 80% | 0.8 | 66% | 0.656 | S | S | * | * | S | Bend | -171.3 | 145.1 | 98.2 | -92.6 | 155.7 | 0 | 0 | 0 | 109.4 | |||
| 1052 | Y | 22.2 | Very low | 23.9 | Very low | 229 Ų | 229 | 132.5 Ų | 132.5 | 90% | 0.898 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 43.4 | 73.4 | -178.8 | -86.9 | -76.1 | 0 | 0 | 0 | 115.9 | ||
| 1053 | G | 22 | Very low | 24.1 | Very low | 52 Ų | 52 | 130.7 Ų | 130.7 | 54% | 0.536 | 65% | 0.654 | S | S | . | * | trans | -61.6 | 140.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C1055 | G1053-C1055 PolarHBondContact O-N 3.25Š| ||
| 1054 | D | 23.2 | Very low | 24.2 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 81% | 0.807 | 64% | 0.641 | S | S | * | * | 39.6 | 27.7 | 83 | -67.9 | -33.9 | 0 | 0 | 0 | 117.3 | V1056 | D1054-V1056 PolarHBondContact O-N 3.37Š| |||
| 1055 | C | 25.6 | Very low | 24.5 | Very low | 47 Ų | 47 | 122.9 Ų | 122.9 | 32% | 0.318 | 62% | 0.624 | S | S | . | * | trans | -93.1 | 70.5 | 145.5 | -69.3 | 0 | 0 | 0 | 0 | 108.1 | G1053 R1057 P1058 M1059 | G1053-C1055 PolarHBondContact O-N 3.25Å; C1055-R1057 HydrophobicContact CB-CB 3.83Å; C1055-R1057 PolarHBondContact O-N 3.14Å; C1055-P1058 WeakPolarHBondContact O-CD 3.29Å; C1055-P1058 VanDerWaalsContact O-N 3.11Å; C1055-M1059 PolarHBondContact O-N 3.19Å | ||
| 1056 | V | 26.8 | Very low | 24.8 | Very low | 77 Ų | 77 | 119.1 Ų | 119.1 | 47% | 0.467 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.4 | 56.1 | 138.5 | 178.2 | 0 | 0 | 0 | 0 | 107.4 | D1054 R1060 | D1054-V1056 PolarHBondContact O-N 3.37Å; V1056-R1060 VanDerWaalsContact C-CB 3.5Å; V1056-R1060 HydrophobicContact CG1-CB 3.73Å; V1056-R1060 HydrophobicContact CG1-CG 4.34Å; V1056-R1060 VanDerWaalsContact O-CB 3.23Å; V1056-R1060 WeakPolarHBondContact O-CB 3.02Å |
| 1057 | R | 24.8 | Very low | 24.8 | Very low | 177 Ų | 177 | 122.8 Ų | 122.8 | 67% | 0.668 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.8 | 1.8 | -156.5 | -145 | -178.3 | 75.6 | 163.3 | 3 | 113.3 | C1055 N1061 | C1055-R1057 HydrophobicContact CB-CB 3.83Å; C1055-R1057 PolarHBondContact O-N 3.14Å; R1057-N1061 VanDerWaalsContact C-CB 3.47Å; R1057-N1061 VanDerWaalsContact O-CB 3.28Å; R1057-N1061 WeakPolarHBondContact O-CB 3.24Å; R1057-N1061 PolarHBondContact O-ND2 3.37Å; R1057-N1061 VanDerWaalsContact O-ND2 3.15Å |
| 1058 | P | 23.3 | Very low | 24.9 | Very low | 72 Ų | 72 | 119.9 Ų | 119.9 | 47% | 0.468 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | -108.9 | -23.8 | 110.7 | 30.8 | -36 | 0 | 0 | 0 | 114.5 | C1055 R1060 N1061 H1062 | C1055-P1058 WeakPolarHBondContact O-CD 3.29Å; C1055-P1058 VanDerWaalsContact O-N 3.11Å; P1058-R1060 PolarHBondContact O-N 2.88Å; P1058-R1060 VanDerWaalsContact O-N 3.1Å; P1058-N1061 CarbonylContact O-C 2.93Å; P1058-N1061 WeakPolarHBondContact O-CA 3.25Å; P1058-N1061 PolarHBondContact O-N 2.76Å; P1058-H1062 WeakPolarHBondContact O-CB 3.03Å; P1058-H1062 PolarHBondContact O-N 3.05Å | |
| 1059 | M | 26 | Very low | 24.7 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 64% | 0.635 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -17.1 | 175.8 | -70.6 | 176.8 | -77.7 | 0 | 0 | 113.3 | C1055 | C1055-M1059 PolarHBondContact O-N 3.19Š|
| 1060 | R | 28.3 | Very low | 25 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 60% | 0.596 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | 28.3 | 167.2 | -154.8 | 175 | -173.5 | 166.1 | 3.9 | 111.9 | V1056 P1058 D1064 | V1056-R1060 VanDerWaalsContact C-CB 3.5Å; V1056-R1060 HydrophobicContact CG1-CB 3.73Å; V1056-R1060 HydrophobicContact CG1-CG 4.34Å; V1056-R1060 VanDerWaalsContact O-CB 3.23Å; V1056-R1060 WeakPolarHBondContact O-CB 3.02Å; P1058-R1060 PolarHBondContact O-N 2.88Å; P1058-R1060 VanDerWaalsContact O-N 3.1Å; R1060-D1064 WeakPolarHBondContact CG-OD2 3Å |
| 1061 | N | 25.2 | Very low | 24.9 | Very low | 80 Ų | 80 | 122.4 Ų | 122.4 | 43% | 0.428 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -158.6 | 38.8 | -175.2 | -102.9 | -6.2 | 0 | 0 | 0 | 108.1 | R1057 P1058 S1065 | R1057-N1061 VanDerWaalsContact C-CB 3.47Å; R1057-N1061 VanDerWaalsContact O-CB 3.28Å; R1057-N1061 WeakPolarHBondContact O-CB 3.24Å; R1057-N1061 PolarHBondContact O-ND2 3.37Å; R1057-N1061 VanDerWaalsContact O-ND2 3.15Å; P1058-N1061 CarbonylContact O-C 2.93Å; P1058-N1061 WeakPolarHBondContact O-CA 3.25Å; P1058-N1061 PolarHBondContact O-N 2.76Å; N1061-S1065 VanDerWaalsContact CA-OG 3.23Å; N1061-S1065 WeakPolarHBondContact CA-OG 3.38Å; N1061-S1065 WeakPolarHBondContact O-CB 3.25Å; N1061-S1065 PolarHBondContact O-OG 2.82Å |
| 1062 | H | 26 | Very low | 25.7 | Very low | 156 Ų | 156 | 120.6 Ų | 120.6 | 72% | 0.722 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.1 | -39.5 | 171.8 | -158.7 | -11.6 | 0 | 0 | 0 | 107.3 | P1058 | P1058-H1062 WeakPolarHBondContact O-CB 3.03Å; P1058-H1062 PolarHBondContact O-N 3.05Å |
| 1063 | I | 26.3 | Very low | 25.7 | Very low | 122 Ų | 122 | 113.1 Ų | 113.1 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -76.5 | -35.5 | 162.1 | -68.2 | 174.1 | 0 | 0 | 0 | 111.9 | ||
| 1064 | D | 25.8 | Very low | 25.7 | Very low | 77 Ų | 77 | 113.5 Ų | 113.5 | 41% | 0.412 | 59% | 0.589 | S | S | . | * | S | Bend | trans | -107.8 | -1.5 | 170.2 | -63 | -52.5 | 0 | 0 | 0 | 113.7 | R1060 L1066 | R1060-D1064 WeakPolarHBondContact CG-OD2 3Å; D1064-L1066 PolarHBondContact O-N 3.18Å |
| 1065 | S | 27.8 | Very low | 25.7 | Very low | 53 Ų | 53 | 109.4 Ų | 109.4 | 37% | 0.371 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -78.5 | 69.8 | 162.3 | -74.1 | 0 | 0 | 0 | 0 | 110.5 | N1061 | N1061-S1065 VanDerWaalsContact CA-OG 3.23Å; N1061-S1065 WeakPolarHBondContact CA-OG 3.38Å; N1061-S1065 WeakPolarHBondContact O-CB 3.25Å; N1061-S1065 PolarHBondContact O-OG 2.82Å |
| 1066 | L | 28 | Very low | 25.6 | Very low | 78 Ų | 78 | 109.7 Ų | 109.7 | 41% | 0.408 | 57% | 0.566 | S | S | . | * | trans | 76.3 | 102.7 | 145.3 | -35.9 | -176.4 | 0 | 0 | 0 | 116 | D1064 T1068 R1069 | D1064-L1066 PolarHBondContact O-N 3.18Å; L1066-T1068 VanDerWaalsContact C-N 3.29Å; L1066-T1068 WeakPolarHBondContact CD2-OG1 3.15Å; L1066-R1069 HydrophobicContact CD1-CB 3.97Å; L1066-R1069 HydrophobicContact CD1-CG 3.93Å; L1066-R1069 VanDerWaalsContact CD1-NE 3.31Å | ||
| 1067 | K | 23.9 | Very low | 25.5 | Very low | 177 Ų | 177 | 110.9 Ų | 110.9 | 77% | 0.77 | 57% | 0.57 | S | S | * | * | S | Bend | cis | 56.8 | -21.9 | 1.7 | -97 | -178.3 | 178.9 | 174.7 | 0 | 120.3 | ||
| 1068 | T | 22.9 | Very low | 25.5 | Very low | 78 Ų | 78 | 109 Ų | 109 | 48% | 0.479 | 57% | 0.573 | S | S | . | * | trans | -159.3 | 22.9 | -164.4 | 32.3 | 0 | 0 | 0 | 0 | 113.4 | L1066 | L1066-T1068 VanDerWaalsContact C-N 3.29Å; L1066-T1068 WeakPolarHBondContact CD2-OG1 3.15Å | ||
| 1069 | R | 21.3 | Very low | 25.5 | Very low | 205 Ų | 205 | 112.4 Ų | 112.4 | 77% | 0.774 | 59% | 0.587 | S | S | * | * | trans | -132.5 | 97.3 | 142 | -80 | -168.4 | -76.4 | -147.3 | 1.2 | 104.4 | L1066 | L1066-R1069 HydrophobicContact CD1-CB 3.97Å; L1066-R1069 HydrophobicContact CD1-CG 3.93Å; L1066-R1069 VanDerWaalsContact CD1-NE 3.31Å | ||
| 1070 | Y | 29.5 | Very low | 25.4 | Very low | 203 Ų | 203 | 111.6 Ų | 111.6 | 80% | 0.796 | 59% | 0.593 | S | S | * | * | 51.6 | 143.4 | 64.2 | -65.4 | -82 | 0 | 0 | 0 | 112.5 | |||||
| 1071 | S | 21 | Very low | 25.1 | Very low | 93 Ų | 93 | 108.2 Ų | 108.2 | 65% | 0.65 | 59% | 0.593 | S | S | * | * | trans | -43.5 | 153.2 | 177 | -55.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1072 | P | 40.4 | Very low | 24.8 | Very low | 118 Ų | 118 | 113.4 Ų | 113.4 | 77% | 0.766 | 61% | 0.612 | S | S | * | * | cis | -138.5 | -159.2 | 20.7 | 43.4 | -24.4 | 0 | 0 | 0 | 115 | ||||
| 1073 | A | 21.6 | Very low | 24.6 | Very low | 73 Ų | 73 | 111.2 Ų | 111.2 | 60% | 0.603 | 61% | 0.61 | S | S | * | * | trans | -23.8 | 142.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1074 | G | 22.4 | Very low | 24.3 | Very low | 59 Ų | 59 | 113.3 Ų | 113.3 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | trans | -142 | -175.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H976 | H976-G1074 PolarHBondContact CE1-O 2.65Å; H976-G1074 PolarHBondContact ND1-O 2.73Å | ||
| 1075 | D | 23.3 | Very low | 24 | Very low | 66 Ų | 66 | 114.5 Ų | 114.5 | 35% | 0.353 | 63% | 0.63 | S | S | . | * | trans | -165.8 | -174.9 | -179.5 | -144.3 | -16.3 | 0 | 0 | 0 | 111.9 | K975 H976 | K975-D1075 WeakPolarHBondContact CA-OD2 3.46Å; K975-D1075 WeakPolarHBondContact CB-OD2 3.13Å; K975-D1075 WeakPolarHBondContact CD-OD2 3.11Å; K975-D1075 VanDerWaalsContact CE-CG 3.46Å; K975-D1075 WeakPolarHBondContact CE-OD2 3.04Å; K975-D1075 WeakPolarHBondContact CG-OD2 3.13Å; K975-D1075 IonicContact NZ-OD2 3.96Å; H976-D1075 WeakPolarHBondContact CA-OD2 3.41Å; H976-D1075 WeakPolarHBondContact CB-OD2 3.19Å; H976-D1075 IonicContact CD2-OD2 3.94Å; H976-D1075 PolarHBondContact CD2-OD2 3.32Å; H976-D1075 VanDerWaalsContact CE1-CB 3.47Å; H976-D1075 WeakPolarHBondContact CE1-CB 2.88Å; H976-D1075 IonicContact CE1-OD2 3.32Å; H976-D1075 PolarHBondContact CE1-OD2 3.38Å; H976-D1075 VanDerWaalsContact CE1-OD2 3.3Å; H976-D1075 IonicContact CG-OD2 3.62Å; H976-D1075 PolarHBondContact N-OD1 2.79Å; H976-D1075 PolarHBondContact N-OD2 2.68Å; H976-D1075 WeakPolarHBondContact ND1-CB 3.38Å; H976-D1075 IonicContact ND1-OD1 3.78Å; H976-D1075 IonicContact ND1-OD2 2.87Å; H976-D1075 PolarHBondContact ND1-OD2 3.45Å; H976-D1075 IonicContact NE2-OD2 3.3Å | ||
| 1076 | D | 22.7 | Very low | 23.7 | Very low | 52 Ų | 52 | 120.3 Ų | 120.3 | 28% | 0.278 | 65% | 0.652 | S | S | . | * | trans | 74.4 | 93.9 | 157.3 | -75.7 | -65.6 | 0 | 0 | 0 | 117.3 | Q974 K975 | Q974-D1076 WeakPolarHBondContact CB-OD1 3.08Å; Q974-D1076 WeakPolarHBondContact CG-OD1 3.49Å; Q974-D1076 PolarHBondContact NE2-OD1 3.34Å; Q974-D1076 PolarHBondContact NE2-OD2 3.3Å; K975-D1076 WeakPolarHBondContact CE-OD2 3.04Å; K975-D1076 IonicContact NZ-OD2 2.67Å; K975-D1076 PolarHBondContact NZ-OD2 3.24Å | ||
| 1077 | N | 24.3 | Very low | 23.9 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 55% | 0.551 | 66% | 0.66 | S | S | * | * | trans | 70.3 | 169 | 131.8 | -37.2 | -49.6 | 0 | 0 | 0 | 121.4 | ||||
| 1078 | D | 25.3 | Very low | 23.8 | Very low | 138 Ų | 138 | 118 Ų | 118 | 74% | 0.738 | 66% | 0.658 | S | S | * | * | trans | 71.1 | 112.9 | 155.3 | -52.1 | -27.8 | 0 | 0 | 0 | 119.9 | ||||
| 1079 | D | 24.2 | Very low | 23.8 | Very low | 143 Ų | 143 | 120 Ų | 120 | 77% | 0.765 | 67% | 0.669 | S | S | * | * | 31.6 | 138.8 | 110 | -61.3 | -9.5 | 0 | 0 | 0 | 117.9 | |||||
| 1080 | C | 22.8 | Very low | 23.7 | Very low | 112 Ų | 112 | 119 Ų | 119 | 76% | 0.757 | 67% | 0.667 | S | S | * | * | -158.4 | 151.8 | 63.8 | -76.4 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1081 | S | 22.1 | Very low | 23.3 | Very low | 86 Ų | 86 | 113.5 Ų | 113.5 | 60% | 0.601 | 65% | 0.648 | S | S | * | * | trans | -13.1 | 150.6 | 130.5 | 50.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1082 | F | 19.3 | Very low | 23.4 | Very low | 190 Ų | 190 | 114.8 Ų | 114.8 | 83% | 0.833 | 64% | 0.642 | S | S | * | * | -143.8 | 161.4 | 65.5 | -112.3 | -105 | 0 | 0 | 0 | 117.4 | |||||
| 1083 | T | 22.1 | Very low | 22.5 | Very low | 109 Ų | 109 | 112.2 Ų | 112.2 | 67% | 0.669 | 63% | 0.631 | S | S | * | * | trans | -55.3 | 165.1 | 176.9 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1084 | E | 20.6 | Very low | 22.5 | Very low | 167 Ų | 167 | 116.8 Ų | 116.8 | 78% | 0.78 | 64% | 0.64 | S | S | * | * | cis | -156.8 | 165.9 | 48.4 | -83.9 | -170.1 | 118.2 | 0 | 0 | 115.1 | ||||
| 1085 | C | 19.5 | Very low | 22.6 | Very low | 102 Ų | 102 | 118.5 Ų | 118.5 | 69% | 0.689 | 64% | 0.643 | S | S | * | * | trans | 65 | 129.3 | 152.9 | -69.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1086 | Q | 20.2 | Very low | 22.7 | Very low | 175 Ų | 175 | 123 Ų | 123 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | 60.4 | 139.9 | 63.9 | -67.5 | -104 | -19 | 0 | 0 | 112.9 | |||||
| 1087 | P | 32.9 | Very low | 22.7 | Very low | 90 Ų | 90 | 126.2 Ų | 126.2 | 58% | 0.584 | 68% | 0.683 | S | S | * | * | cis | -141.4 | -154.1 | -18.4 | 34.9 | -12.5 | 0 | 0 | 0 | 112.8 | ||||
| 1088 | T | 22.4 | Very low | 22.8 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | trans | 71.7 | 143.2 | 144.9 | 45.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1089 | V | 22.5 | Very low | 22.7 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | trans | 74.4 | 116.1 | 139 | 157.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1090 | Y | 19 | Very low | 22.9 | Very low | 184 Ų | 184 | 127 Ų | 127 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | 63.7 | 141.5 | 74.7 | -87.7 | -132.9 | 0 | 0 | 0 | 112.3 | |||||
| 1091 | Q | 21.5 | Very low | 22.9 | Very low | 87 Ų | 87 | 125.4 Ų | 125.4 | 41% | 0.407 | 66% | 0.655 | S | S | . | * | cis | -173.5 | 111.6 | -13.8 | -133.4 | -167.8 | 20.6 | 0 | 0 | 108.1 | R1343 | Q1091-R1343 PolarHBondContact O-NH1 3.27Å; Q1091-R1343 PolarHBondContact O-NH2 3.45Å; Q1091-R1343 VanDerWaalsContact O-NH2 3.09Å; Q1091-R1343 VanDerWaalsContact OE1-NH2 3.1Å | ||
| 1092 | K | 23.4 | Very low | 23 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 52% | 0.522 | 65% | 0.646 | S | S | . | * | trans | -170.1 | 106.7 | 152.1 | -109.2 | 141.2 | -176.8 | 154.2 | 0 | 107.1 | L1339 E1340 | K1092-L1339 PolarHBondContact NZ-O 3.39Å; K1092-E1340 IonicContact NZ-OE2 3.24Å; K1092-E1340 PolarHBondContact NZ-OE2 3.3Å | ||
| 1093 | A | 21.1 | Very low | 23.5 | Very low | 64 Ų | 64 | 122.5 Ų | 122.5 | 53% | 0.529 | 64% | 0.639 | S | S | . | * | 73.7 | 128.7 | 55.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1094 | Q | 21.7 | Very low | 23.9 | Very low | 168 Ų | 168 | 120.9 Ų | 120.9 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | trans | 73 | 161.3 | 150.4 | -64.5 | 156.6 | -26.3 | 0 | 0 | 119.3 | ||||
| 1095 | S | 23.1 | Very low | 24.1 | Very low | 96 Ų | 96 | 120.5 Ų | 120.5 | 67% | 0.671 | 63% | 0.631 | S | S | * | * | trans | 75.6 | 133 | 161.2 | 83.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 1096 | H | 25.7 | Very low | 24.4 | Very low | 161 Ų | 161 | 120.2 Ų | 120.2 | 75% | 0.745 | 63% | 0.63 | S | S | * | * | cis | -142 | 138.5 | -0.8 | -86.7 | -60.1 | 0 | 0 | 0 | 107.7 | ||||
| 1097 | T | 22.1 | Very low | 24.7 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 72% | 0.724 | 61% | 0.612 | S | S | * | * | 46 | 87.5 | 74.6 | 68.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 1098 | N | 26.6 | Very low | 24.2 | Very low | 152 Ų | 152 | 114.6 Ų | 114.6 | 81% | 0.813 | 60% | 0.601 | S | S | * | * | trans | -151.9 | 137.7 | 156.3 | -102.6 | -8.1 | 0 | 0 | 0 | 107.3 | ||||
| 1099 | Y | 24.5 | Very low | 24.4 | Very low | 153 Ų | 153 | 110.4 Ų | 110.4 | 60% | 0.6 | 57% | 0.574 | S | S | * | * | cis | 72.8 | 104.2 | 21.1 | -160 | -92.1 | 0 | 0 | 0 | 114.9 | Q1101 | Y1099-Q1101 HydrophobicContact CE1-CB 4.06Å; Y1099-Q1101 HydrophobicContact CE1-CG 3.86Å; Y1099-Q1101 PolarHBondContact OH-NE2 2.71Å | ||
| 1100 | H | 26.9 | Very low | 24.6 | Very low | 95 Ų | 95 | 106.4 Ų | 106.4 | 44% | 0.44 | 55% | 0.548 | S | S | . | . | cis | 73 | 93.6 | -6.9 | -154.3 | 37.7 | 0 | 0 | 0 | 117.7 | H1474 Q1476 | H1100-H1474 PolarHBondContact NE2-O 3.44Å; H1100-Q1476 PolarHBondContact CE1-O 2.99Å | ||
| 1101 | Q | 23.1 | Very low | 24.7 | Very low | 80 Ų | 80 | 97.9 Ų | 97.9 | 37% | 0.374 | 52% | 0.516 | S | S | . | . | cis | 44.4 | 107.2 | -11.3 | -80.3 | -178.3 | -8.8 | 0 | 0 | 118.9 | Y1099 R1128 | Y1099-Q1101 HydrophobicContact CE1-CB 4.06Å; Y1099-Q1101 HydrophobicContact CE1-CG 3.86Å; Y1099-Q1101 PolarHBondContact OH-NE2 2.71Å; Q1101-R1128 PolarHBondContact OE1-O 2.7Å | ||
| 1102 | Y | 24.7 | Very low | 25 | Very low | 108 Ų | 108 | 96.7 Ų | 96.7 | 42% | 0.424 | 51% | 0.512 | S | S | . | . | cis | 54.3 | 159.4 | 25.5 | -92.1 | -38.8 | 0 | 0 | 0 | 115.3 | L2178 | Y1102-L2178 WeakPolarHBondContact OH-CD2 3.14Š| ||
| 1103 | P | 29.1 | Very low | 24.9 | Very low | 106 Ų | 106 | 93.9 Ų | 93.9 | 69% | 0.688 | 50% | 0.503 | S | S | * | . | -118.4 | 159.3 | -53.9 | 27.3 | -10.2 | 0 | 0 | 0 | 111 | |||||
| 1104 | S | 30.4 | Very low | 25.2 | Very low | 75 Ų | 75 | 96.2 Ų | 96.2 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | trans | -174 | 125 | 169.2 | -71.6 | 0 | 0 | 0 | 0 | 115.1 | R1128 | S1104-R1128 WeakPolarHBondContact OG-CD 3.48Å; S1104-R1128 PolarHBondContact OG-NH1 3.48Å | ||
| 1105 | E | 25.2 | Very low | 25.8 | Very low | 159 Ų | 159 | 91.3 Ų | 91.3 | 74% | 0.743 | 48% | 0.48 | S | S | * | . | trans | -151.7 | 150 | 139.4 | -164.8 | 157.6 | -93.8 | 0 | 0 | 109.2 | ||||
| 1106 | S | 26.9 | Very low | 26.1 | Very low | 96 Ų | 96 | 88.6 Ų | 88.6 | 67% | 0.671 | 46% | 0.458 | S | S | * | . | trans | -165.6 | 138.3 | -179.1 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1107 | N | 25.4 | Very low | 26.2 | Very low | 83 Ų | 83 | 81.4 Ų | 81.4 | 44% | 0.444 | 43% | 0.425 | S | S | . | . | trans | 30.6 | 112.8 | 168.9 | -76.2 | 18.9 | 0 | 0 | 0 | 119.5 | N1254 V1513 | N1107-N1254 WeakPolarHBondContact CA-ND2 3.03Å; N1107-V1513 HydrophobicContact CB-CG1 4.29Å; N1107-V1513 HydrophobicContact CB-CG2 4.07Å | ||
| 1108 | N | 24 | Very low | 26.6 | Very low | 64 Ų | 64 | 75.8 Ų | 75.8 | 34% | 0.342 | 39% | 0.391 | S | S | . | . | -157.1 | 126.7 | 128 | -175.2 | 75.1 | 0 | 0 | 0 | 110.8 | N1254 T1255 R1512 V1513 | N1108-N1254 PolarHBondContact N-ND2 3.04Å; N1108-N1254 WeakPolarHBondContact O-CB 3.35Å; N1108-N1254 VanDerWaalsContact O-CG 3.22Å; N1108-N1254 PolarHBondContact O-OD1 2.69Å; N1108-T1255 PolarHBondContact O-OG1 2.88Å; N1108-T1255 VanDerWaalsContact O-OG1 3.05Å; N1108-R1512 WeakPolarHBondContact OD1-CA 3.25Å; N1108-R1512 PolarHBondContact OD1-O 3.46Å; N1108-V1513 HydrophobicContact CB-CB 4.45Å; N1108-V1513 HydrophobicContact CB-CG1 4.04Å; N1108-V1513 WeakPolarHBondContact OD1-CB 3.09Å; N1108-V1513 VanDerWaalsContact OD1-CG1 3.29Å; N1108-V1513 WeakPolarHBondContact OD1-CG1 3.09Å; N1108-V1513 PolarHBondContact OD1-N 3.01Å | |||
| 1109 | N | 26.4 | Very low | 26.7 | Very low | 29 Ų | 29 | 68.6 Ų | 68.6 | 16% | 0.155 | 35% | 0.352 | C | S | . | . | trans | 96.1 | 102.7 | 174.6 | -54.1 | -33.8 | 0 | 0 | 0 | 116.5 | N1254 T1255 N1507 | N1109-N1254 PolarHBondContact N-OD1 2.98Å; N1109-N1254 PolarHBondContact O-OD1 3.41Å; N1109-T1255 HydrophobicContact CB-CG2 3.35Å; N1109-T1255 VanDerWaalsContact CB-OG1 3.26Å; N1109-T1255 WeakPolarHBondContact CB-OG1 3.37Å; N1109-T1255 PolarHBondContact ND2-OG1 3.41Å; N1109-T1255 WeakPolarHBondContact O-CG2 3.12Å; N1109-N1507 WeakPolarHBondContact CB-O 3.18Å; N1109-N1507 PolarHBondContact ND2-O 3.04Å; N1109-N1507 PolarHBondContact OD1-O 2.8Å; N1109-N1507 VanDerWaalsContact OD1-O 3.06Å | ||
| 1110 | N | 25 | Very low | 27.1 | Very low | 36 Ų | 36 | 64.2 Ų | 64.2 | 19% | 0.193 | 34% | 0.337 | C | S | . | . | 47.8 | 153.2 | 56.1 | -57.9 | -48.8 | 0 | 0 | 0 | 116.3 | S1153 D1155 A1506 N1507 R1512 V1513 | N1110-S1153 CarbonylContact C-O 3.49Å; N1110-S1153 WeakPolarHBondContact CA-O 3.45Å; N1110-D1155 PolarHBondContact ND2-O 2.78Å; N1110-A1506 CarbonylContact O-C 3.2Å; N1110-N1507 PolarHBondContact O-N 3.36Å; N1110-R1512 PolarHBondContact ND2-O 3.19Å; N1110-V1513 VanDerWaalsContact ND2-CA 3.26Å; N1110-V1513 WeakPolarHBondContact ND2-CA 2.95Å; N1110-V1513 WeakPolarHBondContact ND2-CB 3.13Å; N1110-V1513 WeakPolarHBondContact ND2-CG2 3.11Å | |||
| 1111 | S | 22.2 | Very low | 27.2 | Very low | 5 Ų | 5 | 62 Ų | 62 | 4% | 0.035 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -77.8 | -170.9 | 158.6 | -46.6 | 0 | 0 | 0 | 0 | 111.8 | S1153 N1154 A1506 | S1111-S1153 WeakPolarHBondContact CA-O 3.2Å; S1111-S1153 WeakPolarHBondContact CB-O 3.46Å; S1111-S1153 PolarHBondContact N-O 2.77Å; S1111-S1153 PolarHBondContact OG-N 3.21Å; S1111-S1153 PolarHBondContact OG-O 3.48Å; S1111-N1154 PolarHBondContact O-OD1 2.93Å; S1111-A1506 WeakPolarHBondContact OG-CB 3.16Å |
| 1112 | N | 27.2 | Very low | 27.4 | Very low | 63 Ų | 63 | 63.9 Ų | 63.9 | 34% | 0.337 | 34% | 0.341 | S | S | . | . | cis | -146.7 | 156.6 | -1.9 | -103.4 | -42.2 | 0 | 0 | 0 | 108.4 | N1154 R1257 N1507 E1508 | N1112-N1154 PolarHBondContact N-OD1 3.36Å; N1112-R1257 PolarHBondContact OD1-NH1 3.21Å; N1112-N1507 VanDerWaalsContact C-ND2 3.27Å; N1112-N1507 VanDerWaalsContact CA-CB 3.49Å; N1112-N1507 VanDerWaalsContact CA-ND2 3.32Å; N1112-N1507 WeakPolarHBondContact CA-ND2 3.09Å; N1112-E1508 WeakPolarHBondContact O-CB 3.36Å | ||
| 1113 | D | 21.7 | Very low | 27.4 | Very low | 60 Ų | 60 | 67.3 Ų | 67.3 | 32% | 0.321 | 35% | 0.354 | S | S | . | . | cis | -135.7 | -62.6 | 7.7 | -175.4 | -154.3 | 0 | 0 | 0 | 117.5 | R1257 N1507 E1508 | D1113-R1257 WeakPolarHBondContact O-CD 3.27Å; D1113-R1257 WeakPolarHBondContact O-CG 3.3Å; D1113-R1257 PolarHBondContact O-NE 2.95Å; D1113-R1257 PolarHBondContact O-NH2 3.01Å; D1113-R1257 IonicContact OD2-CZ 2.62Å; D1113-R1257 IonicContact OD2-NH1 2.64Å; D1113-R1257 IonicContact OD2-NH2 3.14Å; D1113-R1257 PolarHBondContact OD2-NH2 3.43Å; D1113-N1507 WeakPolarHBondContact CA-ND2 3.43Å; D1113-N1507 PolarHBondContact N-ND2 3.27Å; D1113-N1507 PolarHBondContact O-ND2 2.73Å; D1113-E1508 PolarHBondContact N-OE2 2.8Å | ||
| 1114 | K | 27.5 | Very low | 27.4 | Very low | 114 Ų | 114 | 67.2 Ų | 67.2 | 50% | 0.496 | 34% | 0.343 | S | S | . | . | trans | -89.5 | -168.7 | -154.5 | -57.3 | -156.3 | 173.3 | -172.3 | 0 | 116.6 | R1257 R1258 E1508 | K1114-R1257 WeakPolarHBondContact O-CG 2.8Å; K1114-R1258 VanDerWaalsContact C-CD 3.45Å; K1114-R1258 WeakPolarHBondContact O-CB 3.43Å; K1114-R1258 WeakPolarHBondContact O-CG 3.41Å; K1114-E1508 PolarHBondContact N-OE1 2.73Å | ||
| 1115 | N | 33.6 | Very low | 27.2 | Very low | 65 Ų | 65 | 68.8 Ų | 68.8 | 35% | 0.348 | 35% | 0.352 | S | S | . | . | trans | -109.1 | 137 | -155.3 | -31.9 | 72.2 | 0 | 0 | 0 | 114.5 | R1258 Q2370 L2373 | N1115-R1258 PolarHBondContact O-NE 2.75Å; N1115-R1258 PolarHBondContact O-NH2 2.79Å; N1115-Q2370 HydrophobicContact CB-CG 4.3Å; N1115-L2373 HydrophobicContact CB-CD1 3.58Å; N1115-L2373 WeakPolarHBondContact ND2-CD1 3.34Å | ||
| 1116 | L | 29.3 | Very low | 27.2 | Very low | 39 Ų | 39 | 65.5 Ų | 65.5 | 20% | 0.204 | 34% | 0.336 | C | S | . | . | trans | 146.9 | 143.8 | 157.2 | -81.4 | 172.4 | 0 | 0 | 0 | 113.6 | R1258 F1259 I2365 T2366 I2367 | L1116-R1258 WeakPolarHBondContact O-CA 3.07Å; L1116-F1259 HydrophobicContact CB-CD1 4.15Å; L1116-F1259 HydrophobicContact CB-CD2 4.27Å; L1116-F1259 HydrophobicContact CB-CE1 3.56Å; L1116-F1259 HydrophobicContact CB-CE2 3.68Å; L1116-F1259 HydrophobicContact CB-CG 4.49Å; L1116-F1259 HydrophobicContact CB-CZ 3.29Å; L1116-F1259 HydrophobicContact CD1-CE2 3.79Å; L1116-F1259 HydrophobicContact CD1-CZ 3.52Å; L1116-F1259 HydrophobicContact CG-CE2 4.36Å; L1116-F1259 HydrophobicContact CG-CZ 4.03Å; L1116-F1259 VanDerWaalsContact O-CD1 3.25Å; L1116-F1259 WeakPolarHBondContact O-CD1 3.16Å; L1116-F1259 PolarHBondContact O-N 3.49Å; L1116-F1259 VanDerWaalsContact O-N 3.09Å; L1116-I2365 CarbonylContact C-O 3.59Å; L1116-T2366 CarbonylContact C-O 3.37Å; L1116-T2366 WeakPolarHBondContact CB-O 3.06Å; L1116-I2367 HydrophobicContact CD1-CD1 4.43Å; L1116-I2367 HydrophobicContact CD2-CD1 4.07Å | ||
| 1117 | N | 27.7 | Very low | 27.4 | Very low | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.048 | 33% | 0.331 | C | S | . | . | cis | -178.2 | 0 | -18.7 | -155.4 | 31.2 | 0 | 0 | 0 | 116.7 | V2364 I2365 T2366 I2367 A2368 S2369 Q2370 | N1117-V2364 VanDerWaalsContact C-C 3.49Å; N1117-V2364 CarbonylContact O-C 3.53Å; N1117-I2365 CarbonylContact C-O 3.09Å; N1117-I2365 VanDerWaalsContact N-C 3.3Å; N1117-I2365 PolarHBondContact N-O 2.77Å; N1117-I2365 CarbonylContact O-C 2.79Å; N1117-I2365 WeakPolarHBondContact O-CA 3.3Å; N1117-I2365 PolarHBondContact O-N 3.3Å; N1117-T2366 VanDerWaalsContact CA-CA 3.44Å; N1117-T2366 VanDerWaalsContact CA-O 3.23Å; N1117-T2366 WeakPolarHBondContact CA-O 3.24Å; N1117-T2366 WeakPolarHBondContact CB-O 3.37Å; N1117-T2366 PolarHBondContact N-O 2.81Å; N1117-T2366 PolarHBondContact O-N 2.68Å; N1117-T2366 VanDerWaalsContact O-N 3.1Å; N1117-I2367 HydrophobicContact CB-CB 4.46Å; N1117-I2367 VanDerWaalsContact CB-N 3.25Å; N1117-I2367 VanDerWaalsContact ND2-CA 3.28Å; N1117-I2367 WeakPolarHBondContact ND2-CA 3.21Å; N1117-I2367 PolarHBondContact ND2-O 3Å; N1117-I2367 PolarHBondContact OD1-O 2.76Å; N1117-A2368 WeakPolarHBondContact OD1-CA 3.22Å; N1117-A2368 PolarHBondContact OD1-N 2.94Å; N1117-A2368 PolarHBondContact OD1-O 3.1Å; N1117-S2369 WeakPolarHBondContact CA-OG 3.4Å; N1117-S2369 PolarHBondContact N-OG 3.23Å; N1117-S2369 WeakPolarHBondContact O-CA 3.35Å; N1117-S2369 WeakPolarHBondContact O-CB 3.35Å; N1117-S2369 PolarHBondContact O-N 3.42Å; N1117-S2369 PolarHBondContact O-OG 2.74Å; N1117-S2369 PolarHBondContact OD1-N 2.91Å; N1117-Q2370 HydrophobicContact CB-CB 3.9Å; N1117-Q2370 PolarHBondContact ND2-OE1 2.9Å; N1117-Q2370 WeakPolarHBondContact OD1-CA 3.46Å; N1117-Q2370 WeakPolarHBondContact OD1-CB 3.47Å; N1117-Q2370 PolarHBondContact OD1-N 3.09Å | ||
| 1118 | L | 31.2 | Very low | 27.6 | Very low | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | 0 | 0 | 0 | -86.5 | 28.9 | 0 | 0 | 0 | 136.6 | G1262 H1263 D2362 E2363 I2365 T2366 I2367 A2368 | L1118-G1262 WeakPolarHBondContact O-CA 2.8Å; L1118-H1263 WeakPolarHBondContact CB-O 3.28Å; L1118-H1263 VanDerWaalsContact CD2-O 3.3Å; L1118-H1263 WeakPolarHBondContact CD2-O 3.16Å; L1118-H1263 WeakPolarHBondContact CG-O 3.38Å; L1118-D2362 CarbonylContact O-C 3.52Å; L1118-E2363 VanDerWaalsContact CA-CA 3.41Å; L1118-E2363 VanDerWaalsContact CA-O 3.24Å; L1118-E2363 WeakPolarHBondContact CA-O 3.45Å; L1118-E2363 VanDerWaalsContact CB-C 3.42Å; L1118-E2363 HydrophobicContact CB-CB 4.35Å; L1118-E2363 WeakPolarHBondContact CB-O 3.16Å; L1118-E2363 WeakPolarHBondContact CD1-O 3.31Å; L1118-E2363 HydrophobicContact CG-CB 4.11Å; L1118-E2363 WeakPolarHBondContact CG-O 3.34Å; L1118-E2363 PolarHBondContact O-N 2.79Å; L1118-I2365 CarbonylContact O-C 3.1Å; L1118-I2365 WeakPolarHBondContact O-CA 3.42Å; L1118-I2365 WeakPolarHBondContact O-CB 3.01Å; L1118-I2365 PolarHBondContact O-N 2.93Å; L1118-T2366 VanDerWaalsContact C-N 3.25Å; L1118-T2366 HydrophobicContact CB-CG2 4.18Å; L1118-T2366 HydrophobicContact CD2-CG2 4.15Å; L1118-T2366 PolarHBondContact O-N 2.81Å; L1118-I2367 HydrophobicContact CD1-CB 3.91Å; L1118-I2367 HydrophobicContact CD2-CB 3.38Å; L1118-I2367 HydrophobicContact CD2-CG1 3.63Å; L1118-I2367 HydrophobicContact CG-CB 4.21Å; L1118-A2368 HydrophobicContact CD1-CB 3.78Å | |||
| 1119 | N | 27.8 | Very low | 27.8 | Very low | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | 0 | 0 | 0 | -57 | -109.7 | 0 | 0 | 0 | 132.4 | S1484 I1485 L2360 M2361 E2363 V2364 | N1119-S1484 PolarHBondContact OD1-O 3.11Å; N1119-I1485 WeakPolarHBondContact ND2-CD1 3.03Å; N1119-I1485 WeakPolarHBondContact ND2-CG1 3.2Å; N1119-I1485 WeakPolarHBondContact OD1-CG1 3.17Å; N1119-L2360 VanDerWaalsContact C-C 3.4Å; N1119-L2360 VanDerWaalsContact C-CA 3.47Å; N1119-L2360 CarbonylContact O-C 3.29Å; N1119-L2360 VanDerWaalsContact O-C 3.23Å; N1119-L2360 WeakPolarHBondContact O-CA 3.34Å; N1119-L2360 VanDerWaalsContact O-CB 3.24Å; N1119-L2360 WeakPolarHBondContact O-CB 3.09Å; N1119-L2360 WeakPolarHBondContact O-CD2 3.14Å; N1119-M2361 WeakPolarHBondContact CA-O 3.35Å; N1119-M2361 PolarHBondContact O-N 3.38Å; N1119-M2361 WeakPolarHBondContact OD1-CA 3.45Å; N1119-M2361 PolarHBondContact OD1-O 3.2Å; N1119-E2363 VanDerWaalsContact C-C 3.46Å; N1119-E2363 VanDerWaalsContact C-CG 3.44Å; N1119-E2363 VanDerWaalsContact CB-C 3.42Å; N1119-E2363 CarbonylContact O-C 3.6Å; N1119-E2363 WeakPolarHBondContact O-CA 2.81Å; N1119-E2363 WeakPolarHBondContact O-CB 3.21Å; N1119-E2363 VanDerWaalsContact O-CG 3.32Å; N1119-E2363 WeakPolarHBondContact O-CG 3.02Å; N1119-E2363 PolarHBondContact O-N 2.9Å; N1119-V2364 HydrophobicContact CB-CB 4.03Å; N1119-V2364 HydrophobicContact CB-CG2 3.96Å; N1119-V2364 VanDerWaalsContact N-C 3.31Å; N1119-V2364 VanDerWaalsContact N-CA 3.31Å; N1119-V2364 VanDerWaalsContact ND2-CA 3.25Å; N1119-V2364 WeakPolarHBondContact ND2-CA 3.05Å; N1119-V2364 WeakPolarHBondContact ND2-CB 3.38Å; N1119-V2364 PolarHBondContact ND2-N 3.41Å | |||
| 1120 | H | 33 | Very low | 27.7 | Very low | 62 Ų | 62 | 68.8 Ų | 68.8 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | 0 | 174.6 | 0 | -153.4 | 74.7 | 0 | 0 | 0 | 116.5 | I2359 L2360 M2361 D2362 E2363 | H1120-I2359 PolarHBondContact ND1-O 2.66Å; H1120-L2360 VanDerWaalsContact CA-CA 3.45Å; H1120-M2361 VanDerWaalsContact N-C 3.28Å; H1120-M2361 CarbonylContact O-C 3.47Å; H1120-M2361 WeakPolarHBondContact O-CA 2.9Å; H1120-M2361 WeakPolarHBondContact O-CB 3.09Å; H1120-M2361 PolarHBondContact O-N 2.81Å; H1120-D2362 WeakPolarHBondContact CB-O 3.34Å; H1120-D2362 WeakPolarHBondContact CB-OD2 3.22Å; H1120-D2362 PolarHBondContact N-O 2.64Å; H1120-D2362 PolarHBondContact O-N 2.95Å; H1120-D2362 VanDerWaalsContact O-OD2 3.11Å; H1120-E2363 HydrophobicContact CB-CG 3.33Å; H1120-E2363 IonicContact CE1-OE2 2.71Å; H1120-E2363 IonicContact CG-OE2 3.61Å; H1120-E2363 VanDerWaalsContact N-CG 3.29Å; H1120-E2363 IonicContact ND1-OE1 2.74Å; H1120-E2363 IonicContact ND1-OE2 2.62Å; H1120-E2363 PolarHBondContact ND1-OE2 3.37Å | |
| 1121 | S | 30.4 | Very low | 27.7 | Very low | 49 Ų | 49 | 73.2 Ų | 73.2 | 34% | 0.343 | 36% | 0.357 | S | S | . | . | trans | 83.3 | 174.6 | 163.2 | -44.4 | 0 | 0 | 0 | 0 | 121.5 | G2358 D2362 | S1121-G2358 CarbonylContact C-O 3.46Å; S1121-G2358 WeakPolarHBondContact CA-O 3.44Å; S1121-G2358 PolarHBondContact N-O 2.77Å; S1121-G2358 CarbonylContact O-C 3.53Å; S1121-G2358 WeakPolarHBondContact O-CA 3.16Å; S1121-D2362 PolarHBondContact OG-OD2 3.29Å | ||
| 1122 | Q | 26.5 | Very low | 27.8 | Very low | 118 Ų | 118 | 75.2 Ų | 75.2 | 55% | 0.551 | 37% | 0.37 | S | S | * | . | trans | -127.9 | 163 | -152.5 | -51 | 178.5 | 14.6 | 0 | 0 | 119.5 | T2355 | Q1122-T2355 HydrophobicContact CG-CG2 4.37Š| ||
| 1123 | Y | 24 | Very low | 27.6 | Very low | 180 Ų | 180 | 76.6 Ų | 76.6 | 71% | 0.706 | 37% | 0.374 | S | S | * | . | trans | 90.6 | 125.8 | 152.9 | -102 | -85.4 | 0 | 0 | 0 | 123.6 | ||||
| 1124 | K | 29.2 | Very low | 27.7 | Very low | 104 Ų | 104 | 78.7 Ų | 78.7 | 45% | 0.452 | 39% | 0.39 | S | S | . | . | trans | -110.2 | 172.4 | 166.8 | -73.3 | -164 | -174.3 | -165.8 | 0 | 110.6 | Q1478 Q1479 H1480 | K1124-Q1478 PolarHBondContact NZ-O 2.66Å; K1124-Q1479 WeakPolarHBondContact CE-O 3.15Å; K1124-H1480 WeakPolarHBondContact CE-O 3.25Å; K1124-H1480 PolarHBondContact NZ-O 2.75Å | ||
| 1125 | P | 27.8 | Very low | 27.6 | Very low | 108 Ų | 108 | 81 Ų | 81 | 70% | 0.701 | 40% | 0.4 | S | S | * | . | cis | -140.6 | 172.8 | 18.5 | 43.2 | -23.4 | 0 | 0 | 0 | 119.4 | R1227 | P1125-R1227 PolarHBondContact O-NE 2.84Å; P1125-R1227 PolarHBondContact O-NH2 2.82Å | ||
| 1126 | H | 24.1 | Very low | 27.1 | Very low | 90 Ų | 90 | 82.9 Ų | 82.9 | 42% | 0.417 | 42% | 0.418 | S | S | . | . | trans | -120.9 | 147.2 | -178.3 | -125.1 | -94.8 | 0 | 0 | 0 | 112.5 | R1128 R1227 | H1126-R1128 PolarHBondContact ND1-NH1 3.33Å; H1126-R1227 WeakPolarHBondContact CD2-CD 3.29Å; H1126-R1227 WeakPolarHBondContact NE2-CD 3.45Å | ||
| 1127 | V | 31.8 | Very low | 26.8 | Very low | 94 Ų | 94 | 89.2 Ų | 89.2 | 57% | 0.57 | 44% | 0.444 | S | S | * | . | trans | -144.6 | 144.2 | 162.9 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | R1227 | V1127-R1227 PolarHBondContact O-NH1 2.64Š| ||
| 1128 | R | 28 | Very low | 26.6 | Very low | 76 Ų | 76 | 93.7 Ų | 93.7 | 29% | 0.287 | 47% | 0.468 | S | S | . | . | trans | -141.9 | 166.2 | -173.6 | -79.2 | -170.2 | -170.9 | 84.2 | -5.6 | 109 | Q1101 S1104 H1126 H1224 | Q1101-R1128 PolarHBondContact OE1-O 2.7Å; S1104-R1128 WeakPolarHBondContact OG-CD 3.48Å; S1104-R1128 PolarHBondContact OG-NH1 3.48Å; H1126-R1128 PolarHBondContact ND1-NH1 3.33Å; R1128-H1224 PolarHBondContact NH2-CD2 2.85Å | ||
| 1129 | R | 28.3 | Very low | 26.5 | Very low | 119 Ų | 119 | 96.6 Ų | 96.6 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | cis | -174.5 | 160 | -25.7 | -170.1 | 173.9 | -163.6 | -80.2 | -4.2 | 109.1 | C1161 M1171 | R1129-C1161 PolarHBondContact NH2-SG 3.2Å; R1129-M1171 PolarHBondContact NH1-SD 2.72Å; R1129-M1171 PolarHBondContact NH2-SD 3.48Å | ||
| 1130 | L | 24.7 | Very low | 26.3 | Very low | 53 Ų | 53 | 100 Ų | 100 | 28% | 0.277 | 50% | 0.499 | S | S | . | . | trans | -54.7 | 145.2 | 162.6 | -61.5 | 83.2 | 0 | 0 | 0 | 113.6 | A1163 D1169 M1171 | L1130-A1163 HydrophobicContact CD2-CB 4.46Å; L1130-D1169 HydrophobicContact CB-CB 4.31Å; L1130-D1169 HydrophobicContact CD2-CB 3.66Å; L1130-D1169 VanDerWaalsContact CD2-CG 3.46Å; L1130-D1169 WeakPolarHBondContact CD2-OD1 3.4Å; L1130-D1169 HydrophobicContact CG-CB 3.92Å; L1130-D1169 VanDerWaalsContact CG-CG 3.47Å; L1130-D1169 WeakPolarHBondContact CG-OD2 3.43Å; L1130-M1171 HydrophobicContact CB-CB 4.02Å; L1130-M1171 HydrophobicContact CB-CG 3.67Å; L1130-M1171 HydrophobicContact CD1-CE 4.4Å; L1130-M1171 HydrophobicContact CD2-CB 4.28Å; L1130-M1171 HydrophobicContact CD2-CE 4.39Å; L1130-M1171 HydrophobicContact CD2-CG 3.5Å; L1130-M1171 VanDerWaalsContact CD2-CG 3.5Å; L1130-M1171 HydrophobicContact CG-CG 4.11Å | ||
| 1131 | L | 25.3 | Very low | 26.1 | Very low | 128 Ų | 128 | 102.5 Ų | 102.5 | 67% | 0.67 | 52% | 0.515 | S | S | * | . | -163.4 | 168.4 | 129.6 | -116.4 | 100.5 | 0 | 0 | 0 | 109.4 | M1171 | L1131-M1171 HydrophobicContact CD1-CB 4.1Å; L1131-M1171 HydrophobicContact CG-CB 4.02Å | |||
| 1132 | P | 24 | Very low | 26.3 | Very low | 47 Ų | 47 | 102.9 Ų | 102.9 | 31% | 0.305 | 53% | 0.526 | S | S | . | . | trans | -120.9 | -177.1 | -147.1 | 45.3 | -39.2 | 0 | 0 | 0 | 117.9 | M1171 | P1132-M1171 WeakPolarHBondContact CD-O 3.12Š| ||
| 1133 | H | 23.7 | Very low | 26.4 | Very low | 92 Ų | 92 | 104.9 Ų | 104.9 | 43% | 0.426 | 53% | 0.533 | S | S | . | . | trans | 94.1 | 120.1 | 151.3 | -77.8 | -50.7 | 0 | 0 | 0 | 121.4 | N1172 | H1133-N1172 PolarHBondContact CD2-OD1 3.14Å; H1133-N1172 VanDerWaalsContact NE2-CG 3.34Å; H1133-N1172 PolarHBondContact NE2-ND2 2.93Å; H1133-N1172 VanDerWaalsContact NE2-ND2 3.11Å; H1133-N1172 PolarHBondContact NE2-OD1 3.09Å | ||
| 1134 | T | 23.4 | Very low | 26.7 | Very low | 104 Ų | 104 | 98.5 Ų | 98.5 | 64% | 0.638 | 51% | 0.512 | S | S | * | . | trans | -63.6 | 144.7 | 156.6 | 47 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1135 | K | 25.8 | Very low | 26.7 | Very low | 163 Ų | 163 | 96.4 Ų | 96.4 | 71% | 0.709 | 51% | 0.505 | S | S | * | . | -162.6 | 169.3 | 129.2 | -92.6 | 133.4 | -165.5 | 174.1 | 0 | 107.8 | F1137 | K1135-F1137 WeakPolarHBondContact O-CD2 3.19Å; K1135-F1137 WeakPolarHBondContact O-CE2 3.43Å; K1135-F1137 PolarHBondContact O-N 2.77Å | |||
| 1136 | S | 22.8 | Very low | 26.5 | Very low | 105 Ų | 105 | 94 Ų | 94 | 73% | 0.734 | 49% | 0.486 | S | S | * | . | trans | -48.8 | 119.2 | 175.1 | 43.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1137 | F | 22.4 | Very low | 27 | Very low | 172 Ų | 172 | 90 Ų | 90 | 75% | 0.754 | 47% | 0.468 | S | S | * | . | cis | 80.3 | 14.9 | 39.7 | -64.9 | -70.9 | 0 | 0 | 0 | 116.1 | K1135 K2160 | K1135-F1137 WeakPolarHBondContact O-CD2 3.19Å; K1135-F1137 WeakPolarHBondContact O-CE2 3.43Å; K1135-F1137 PolarHBondContact O-N 2.77Å; F1137-K2160 PolarHBondContact O-NZ 3.25Å | ||
| 1138 | D | 25.2 | Very low | 26.8 | Very low | 103 Ų | 103 | 89.2 Ų | 89.2 | 55% | 0.551 | 46% | 0.458 | S | S | * | . | trans | -122 | 147 | 151.5 | -70.8 | -98.7 | 0 | 0 | 0 | 107.5 | K2160 | D1138-K2160 WeakPolarHBondContact OD1-CE 3.14Å; D1138-K2160 IonicContact OD1-NZ 3.58Å; D1138-K2160 PolarHBondContact OD1-NZ 2.66Å; D1138-K2160 IonicContact OD2-NZ 2.77Å | ||
| 1139 | D | 27.6 | Very low | 26.4 | Very low | 62 Ų | 62 | 89.5 Ų | 89.5 | 33% | 0.332 | 46% | 0.463 | S | S | . | . | trans | 33.4 | 128.6 | 155.1 | -61.2 | -31.6 | 0 | 0 | 0 | 120 | S2156 | D1139-S2156 WeakPolarHBondContact OD2-CB 2.98Å; D1139-S2156 PolarHBondContact OD2-OG 3.47Å | ||
| 1140 | H | 23.5 | Very low | 26.2 | Very low | 71 Ų | 71 | 87.1 Ų | 87.1 | 33% | 0.329 | 46% | 0.458 | S | S | . | . | 64.9 | 121.2 | 58 | -51.6 | 18.8 | 0 | 0 | 0 | 110.5 | N2159 K2163 | H1140-N2159 VanDerWaalsContact CD2-C 3.43Å; H1140-N2159 PolarHBondContact CD2-O 3.16Å; H1140-N2159 VanDerWaalsContact CD2-O 3.24Å; H1140-K2163 HydrophobicContact CB-CD 4.43Å; H1140-K2163 VanDerWaalsContact CD2-CB 3.44Å; H1140-K2163 WeakPolarHBondContact CD2-CB 3.16Å; H1140-K2163 WeakPolarHBondContact ND1-CD 3.34Å | |||
| 1141 | D | 30.6 | Very low | 26.2 | Very low | 115 Ų | 115 | 88.6 Ų | 88.6 | 62% | 0.615 | 47% | 0.466 | S | S | * | . | cis | -145 | -179.7 | 6.4 | -87.9 | -41.9 | 0 | 0 | 0 | 112.2 | K2163 | D1141-K2163 WeakPolarHBondContact OD1-CD 3.48Å; D1141-K2163 VanDerWaalsContact OD1-CE 3.3Å; D1141-K2163 WeakPolarHBondContact OD1-CE 3.11Å; D1141-K2163 IonicContact OD1-NZ 3.95Å; D1141-K2163 PolarHBondContact OD1-NZ 2.8Å | ||
| 1142 | G | 33.8 | Very low | 26.6 | Very low | 56 Ų | 56 | 85.7 Ų | 85.7 | 58% | 0.577 | 45% | 0.451 | S | S | * | . | trans | 38.4 | 115.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1143 | F | 29.2 | Very low | 27.2 | Very low | 160 Ų | 160 | 87.3 Ų | 87.3 | 70% | 0.702 | 46% | 0.464 | S | S | * | . | -107.7 | 129.1 | 110.4 | -71.3 | -57.1 | 0 | 0 | 0 | 107.5 | H2394 | F1143-H2394 AromaticContact CD1-CE1 3.58Å; F1143-H2394 AromaticContact CE1-CE1 3.26Å; F1143-H2394 WeakPolarHBondContact CE1-CE1 2.86Å; F1143-H2394 AromaticContact CE1-NE2 3.58Å | |||
| 1144 | D | 29.6 | Very low | 27.2 | Very low | 47 Ų | 47 | 85.6 Ų | 85.6 | 25% | 0.251 | 46% | 0.458 | S | S | . | . | cis | 100.2 | 87.6 | 40.6 | -166.5 | 34.9 | 0 | 0 | 0 | 110 | N1520 T1521 Q2393 H2394 | D1144-N1520 PolarHBondContact O-ND2 3.3Å; D1144-T1521 HydrophobicContact CB-CG2 4.28Å; D1144-T1521 VanDerWaalsContact O-CG2 3.24Å; D1144-T1521 WeakPolarHBondContact O-CG2 3.16Å; D1144-T1521 PolarHBondContact O-OG1 2.94Å; D1144-T1521 WeakPolarHBondContact OD2-CG2 3.48Å; D1144-Q2393 WeakPolarHBondContact OD1-CB 3.41Å; D1144-H2394 IonicContact OD2-CE1 3.29Å; D1144-H2394 PolarHBondContact OD2-CE1 3.3Å; D1144-H2394 IonicContact OD2-ND1 2.85Å; D1144-H2394 PolarHBondContact OD2-ND1 2.9Å | ||
| 1145 | L | 28.8 | Very low | 27.9 | Very low | 59 Ų | 59 | 82.8 Ų | 82.8 | 31% | 0.309 | 44% | 0.439 | S | S | . | . | trans | 79.9 | 149 | 159.9 | -50 | -160.3 | 0 | 0 | 0 | 124.7 | N1519 N1520 T1521 E2390 Q2393 | L1145-N1519 CarbonylContact O-C 3.47Å; L1145-N1520 PolarHBondContact O-N 3.45Å; L1145-T1521 HydrophobicContact CB-CG2 3.87Å; L1145-T1521 HydrophobicContact CD1-CG2 4.24Å; L1145-T1521 HydrophobicContact CG-CG2 3.9Å; L1145-E2390 HydrophobicContact CB-CB 4.3Å; L1145-E2390 HydrophobicContact CD1-CB 3.92Å; L1145-E2390 HydrophobicContact CD1-CG 3.88Å; L1145-E2390 WeakPolarHBondContact CD1-O 3.35Å; L1145-Q2393 HydrophobicContact CD1-CB 3.5Å; L1145-Q2393 VanDerWaalsContact CD1-CB 3.5Å; L1145-Q2393 HydrophobicContact CD1-CG 3.24Å; L1145-Q2393 HydrophobicContact CD2-CG 4.43Å; L1145-Q2393 HydrophobicContact CG-CB 3.86Å; L1145-Q2393 HydrophobicContact CG-CG 3.89Å | ||
| 1146 | N | 24.7 | Very low | 28.5 | Very low | 58 Ų | 58 | 78.1 Ų | 78.1 | 31% | 0.31 | 42% | 0.422 | S | S | . | . | trans | -46.7 | -171.9 | 140.2 | -37.5 | -76.5 | 0 | 0 | 0 | 111.5 | A2386 E2390 | N1146-A2386 HydrophobicContact CB-CB 3.94Å; N1146-E2390 VanDerWaalsContact C-CB 3.46Å; N1146-E2390 HydrophobicContact CB-CB 4.2Å; N1146-E2390 WeakPolarHBondContact CB-OE2 3.47Å; N1146-E2390 PolarHBondContact ND2-OE2 3.1Å; N1146-E2390 CarbonylContact O-C 3.43Å; N1146-E2390 VanDerWaalsContact O-CB 3.27Å; N1146-E2390 WeakPolarHBondContact O-CB 3.16Å | ||
| 1147 | D | 33.6 | Very low | 28.8 | Very low | 5 Ų | 5 | 74.3 Ų | 74.3 | 3% | 0.027 | 39% | 0.393 | C | S | . | . | trans | -157.5 | 84.8 | 176.7 | 179.2 | 21.4 | 0 | 0 | 0 | 111.4 | L2384 S2385 A2386 V2387 R2388 A2389 E2390 L2391 | D1147-L2384 CarbonylContact O-C 3.57Å; D1147-S2385 CarbonylContact O-C 3.36Å; D1147-A2386 VanDerWaalsContact CA-C 3.43Å; D1147-A2386 VanDerWaalsContact CB-C 3.42Å; D1147-A2386 WeakPolarHBondContact CB-O 2.97Å; D1147-A2386 PolarHBondContact N-O 3.42Å; D1147-A2386 VanDerWaalsContact N-O 3.13Å; D1147-A2386 CarbonylContact O-C 3.57Å; D1147-A2386 WeakPolarHBondContact O-CA 3.46Å; D1147-A2386 PolarHBondContact O-N 3.08Å; D1147-A2386 VanDerWaalsContact O-N 3.13Å; D1147-V2387 CarbonylContact O-C 3.39Å; D1147-V2387 WeakPolarHBondContact O-CA 3.4Å; D1147-V2387 PolarHBondContact O-N 2.58Å; D1147-V2387 VanDerWaalsContact OD2-CA 3.24Å; D1147-V2387 WeakPolarHBondContact OD2-CA 3.42Å; D1147-R2388 PolarHBondContact O-N 3.19Å; D1147-R2388 WeakPolarHBondContact OD1-CA 3.19Å; D1147-R2388 PolarHBondContact OD1-N 2.65Å; D1147-R2388 VanDerWaalsContact OD1-N 3.11Å; D1147-R2388 VanDerWaalsContact OD2-CA 3.26Å; D1147-R2388 WeakPolarHBondContact OD2-CA 3.2Å; D1147-R2388 PolarHBondContact OD2-N 3.5Å; D1147-R2388 VanDerWaalsContact OD2-N 3.1Å; D1147-A2389 VanDerWaalsContact C-N 3.27Å; D1147-A2389 PolarHBondContact O-N 3.42Å; D1147-A2389 VanDerWaalsContact OD1-CA 3.25Å; D1147-A2389 WeakPolarHBondContact OD1-CA 3.23Å; D1147-A2389 PolarHBondContact OD1-N 2.75Å; D1147-E2390 VanDerWaalsContact CA-CA 3.49Å; D1147-E2390 HydrophobicContact CB-CB 4.47Å; D1147-E2390 PolarHBondContact OD1-N 2.7Å; D1147-L2391 VanDerWaalsContact OD1-CA 3.25Å; D1147-L2391 WeakPolarHBondContact OD1-CA 3.18Å; D1147-L2391 WeakPolarHBondContact OD1-CB 3.41Å; D1147-L2391 PolarHBondContact OD1-N 3.01Å | ||
| 1148 | H | 27.8 | Very low | 29.7 | Very low | 79 Ų | 79 | 67.5 Ų | 67.5 | 37% | 0.366 | 36% | 0.364 | S | S | . | . | trans | -92.9 | 68.1 | -157.5 | -170 | 8.9 | 0 | 0 | 0 | 121.3 | S2385 A2389 E2390 | H1148-S2385 VanDerWaalsContact CA-O 3.31Å; H1148-S2385 WeakPolarHBondContact CA-O 3.49Å; H1148-S2385 VanDerWaalsContact ND1-CB 3.33Å; H1148-S2385 WeakPolarHBondContact ND1-CB 3.26Å; H1148-S2385 PolarHBondContact ND1-OG 3.18Å; H1148-A2389 CarbonylContact C-O 3.53Å; H1148-A2389 PolarHBondContact N-O 3.02Å; H1148-E2390 HydrophobicContact CB-CB 4.24Å; H1148-E2390 HydrophobicContact CB-CG 4.11Å; H1148-E2390 WeakPolarHBondContact CB-OE1 3.4Å; H1148-E2390 IonicContact CD2-OE1 3.69Å | ||
| 1149 | Q | 20.5 | Very low | 30.4 | Very low | 82 Ų | 82 | 65.7 Ų | 65.7 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | trans | -176.7 | 170.2 | 159.1 | -83.5 | 139.8 | 54.4 | 0 | 0 | 108.2 | E2381 R2388 A2389 E2392 | Q1149-E2381 VanDerWaalsContact CA-OE1 3.22Å; Q1149-E2381 WeakPolarHBondContact CA-OE1 3.43Å; Q1149-R2388 VanDerWaalsContact CB-NH2 3.34Å; Q1149-R2388 WeakPolarHBondContact O-CA 3.44Å; Q1149-R2388 WeakPolarHBondContact O-CB 3.05Å; Q1149-R2388 PolarHBondContact O-N 2.78Å; Q1149-A2389 HydrophobicContact CB-CB 3.51Å; Q1149-A2389 HydrophobicContact CG-CB 3.75Å; Q1149-A2389 VanDerWaalsContact N-N 3.18Å; Q1149-A2389 VanDerWaalsContact OE1-CB 3.28Å; Q1149-E2392 PolarHBondContact NE2-OE1 3.14Å | ||
| 1150 | I | 23 | Very low | 30.8 | Very low | 69 Ų | 69 | 68.5 Ų | 68.5 | 35% | 0.354 | 36% | 0.364 | S | S | . | . | trans | 72.3 | 92.3 | 170.1 | -88.7 | -174.3 | 0 | 0 | 0 | 116 | E2381 L2384 R2388 | I1150-E2381 WeakPolarHBondContact CA-OE2 3.28Å; I1150-E2381 PolarHBondContact N-OE1 2.86Å; I1150-E2381 VanDerWaalsContact N-OE1 3.14Å; I1150-E2381 PolarHBondContact N-OE2 2.68Å; I1150-L2384 WeakPolarHBondContact O-CB 3.46Å; I1150-L2384 WeakPolarHBondContact O-CD1 3.47Å; I1150-R2388 HydrophobicContact CB-CB 3.8Å; I1150-R2388 HydrophobicContact CB-CG 4.15Å; I1150-R2388 HydrophobicContact CG2-CB 3.68Å; I1150-R2388 HydrophobicContact CG2-CG 3.72Å | ||
| 1151 | D | 24.8 | Very low | 31.1 | Very low | 83 Ų | 83 | 68.3 Ų | 68.3 | 44% | 0.444 | 37% | 0.37 | S | S | . | . | 54.4 | 111.8 | 100.8 | -76.3 | -53 | 0 | 0 | 0 | 120.8 | E2381 | D1151-E2381 PolarHBondContact N-OE2 2.7Š| |||
| 1152 | N | 33.8 | Very low | 31.1 | Very low | 67 Ų | 67 | 64.8 Ų | 64.8 | 36% | 0.358 | 36% | 0.357 | S | S | . | . | trans | 70.5 | -175.4 | 133.1 | -54.9 | -59.1 | 0 | 0 | 0 | 120.6 | V1504 | N1152-V1504 HydrophobicContact CB-CG1 4.44Å; N1152-V1504 WeakPolarHBondContact OD1-CB 3.04Å; N1152-V1504 VanDerWaalsContact OD1-CG1 3.26Å; N1152-V1504 WeakPolarHBondContact OD1-CG1 2.71Å; N1152-V1504 WeakPolarHBondContact OD1-CG2 3.1Å | ||
| 1153 | S | 37.1 | Very low | 30.9 | Very low | 81 Ų | 81 | 64.3 Ų | 64.3 | 57% | 0.566 | 35% | 0.347 | S | S | * | . | trans | 90.3 | 171 | 167.2 | 86.2 | 0 | 0 | 0 | 0 | 118.7 | N1110 S1111 | N1110-S1153 CarbonylContact C-O 3.49Å; N1110-S1153 WeakPolarHBondContact CA-O 3.45Å; S1111-S1153 WeakPolarHBondContact CA-O 3.2Å; S1111-S1153 WeakPolarHBondContact CB-O 3.46Å; S1111-S1153 PolarHBondContact N-O 2.77Å; S1111-S1153 PolarHBondContact OG-N 3.21Å; S1111-S1153 PolarHBondContact OG-O 3.48Å | ||
| 1154 | N | 22.6 | Very low | 31 | Very low | 56 Ų | 56 | 63.2 Ų | 63.2 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | -152.2 | 160.8 | -120.8 | -172.6 | 25.1 | 0 | 0 | 0 | 115.2 | S1111 N1112 | S1111-N1154 PolarHBondContact O-OD1 2.93Å; N1112-N1154 PolarHBondContact N-OD1 3.36Å | |
| 1155 | D | 38.3 | Very low | 30.7 | Very low | 46 Ų | 46 | 64.4 Ų | 64.4 | 25% | 0.246 | 36% | 0.355 | C | S | . | . | trans | 67.4 | -174.2 | 164.1 | -73.8 | -78.9 | 0 | 0 | 0 | 121.3 | N1110 N1511 | N1110-D1155 PolarHBondContact ND2-O 2.78Å; D1155-N1511 CarbonylContact C-O 3.36Å; D1155-N1511 VanDerWaalsContact C-O 3.22Å; D1155-N1511 WeakPolarHBondContact CA-O 3.44Å; D1155-N1511 HydrophobicContact CB-CB 4.36Å; D1155-N1511 WeakPolarHBondContact OD1-CB 3.17Å; D1155-N1511 PolarHBondContact OD1-ND2 2.99Å | ||
| 1156 | N | 37.9 | Very low | 30.5 | Very low | 65 Ų | 65 | 65.7 Ų | 65.7 | 35% | 0.348 | 36% | 0.363 | S | S | . | . | trans | 106.2 | -146.8 | 153.4 | -62.1 | -67.1 | 0 | 0 | 0 | 124.4 | N1511 R1512 V1513 E1514 | N1156-N1511 PolarHBondContact N-O 3.49Å; N1156-R1512 WeakPolarHBondContact O-CB 3.13Å; N1156-R1512 VanDerWaalsContact O-CZ 3.26Å; N1156-R1512 PolarHBondContact O-NE 3.48Å; N1156-R1512 PolarHBondContact O-NH2 2.86Å; N1156-V1513 CarbonylContact C-O 3.59Å; N1156-E1514 HydrophobicContact CB-CG 3.44Å; N1156-E1514 VanDerWaalsContact CB-CG 3.44Å | ||
| 1157 | N | 31 | Very low | 30.3 | Very low | 25 Ų | 25 | 73.1 Ų | 73.1 | 13% | 0.134 | 39% | 0.388 | C | S | . | . | trans | -141.4 | 143.6 | -139.8 | -47 | -61.4 | 0 | 0 | 0 | 122.9 | R1219 V1513 E1514 | N1157-R1219 PolarHBondContact OD1-O 2.72Å; N1157-V1513 CarbonylContact C-O 3.48Å; N1157-V1513 VanDerWaalsContact C-O 3.25Å; N1157-V1513 WeakPolarHBondContact CA-O 3.35Å; N1157-V1513 VanDerWaalsContact N-C 3.32Å; N1157-V1513 PolarHBondContact N-O 3.15Å; N1157-E1514 HydrophobicContact CB-CG 4.03Å; N1157-E1514 PolarHBondContact ND2-OE1 2.78Å; N1157-E1514 WeakPolarHBondContact O-CA 3.09Å | ||
| 1158 | D | 40.6 | Very low | 29.8 | Very low | 28 Ų | 28 | 79 Ų | 79 | 15% | 0.15 | 42% | 0.419 | C | S | . | . | 80.2 | 148.1 | 130 | -78.4 | -38.5 | 0 | 0 | 0 | 131.2 | R1219 P1220 T1221 S1222 | D1158-R1219 IonicContact OD1-NH2 3.02Å; D1158-R1219 PolarHBondContact OD1-NH2 2.71Å; D1158-R1219 IonicContact OD2-CZ 3.34Å; D1158-R1219 IonicContact OD2-NE 2.73Å; D1158-R1219 PolarHBondContact OD2-NE 3.49Å; D1158-R1219 IonicContact OD2-NH1 3.6Å; D1158-R1219 PolarHBondContact OD2-NH1 2.59Å; D1158-R1219 IonicContact OD2-NH2 3.84Å; D1158-R1219 PolarHBondContact OD2-NH2 3.03Å; D1158-P1220 WeakPolarHBondContact OD2-CD 3.38Å; D1158-T1221 WeakPolarHBondContact OD1-CA 2.93Å; D1158-T1221 WeakPolarHBondContact OD1-CB 3.25Å; D1158-T1221 PolarHBondContact OD1-N 2.58Å; D1158-T1221 PolarHBondContact OD1-OG1 2.67Å; D1158-S1222 PolarHBondContact OD1-N 3.2Å | |||
| 1159 | D | 39.6 | Very low | 29.5 | Very low | 66 Ų | 66 | 79.3 Ų | 79.3 | 35% | 0.353 | 42% | 0.423 | S | S | . | . | trans | 69.9 | -150.4 | 137.1 | -68.4 | -37.9 | 0 | 0 | 0 | 127.8 | R1219 | D1159-R1219 IonicContact OD2-NH2 3.86Å; D1159-R1219 PolarHBondContact OD2-NH2 2.75Å | ||
| 1160 | F | 37.1 | Very low | 29.6 | Very low | 121 Ų | 121 | 79.8 Ų | 79.8 | 53% | 0.531 | 43% | 0.426 | S | S | . | . | trans | -142 | 164.5 | -141.4 | -78.1 | -99.3 | 0 | 0 | 0 | 113.4 | F1174 | F1160-F1174 WeakPolarHBondContact O-CD2 3.27Å; F1160-F1174 WeakPolarHBondContact O-CE2 3.38Å | ||
| 1161 | C | 28.4 | Very low | 29.8 | Very low | 67 Ų | 67 | 77.5 Ų | 77.5 | 45% | 0.453 | 41% | 0.414 | S | S | . | . | cis | 98.8 | 128.3 | 12.8 | 172.8 | 0 | 0 | 0 | 0 | 117.8 | R1129 | R1129-C1161 PolarHBondContact NH2-SG 3.2Š| ||
| 1162 | A | 32 | Very low | 29.9 | Very low | 41 Ų | 41 | 76 Ų | 76 | 34% | 0.339 | 41% | 0.406 | S | S | . | . | trans | -137.8 | -148 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | M1171 N1172 | A1162-M1171 PolarHBondContact N-SD 2.98Å; A1162-M1171 WeakPolarHBondContact O-CE 3.12Å; A1162-N1172 WeakPolarHBondContact CB-O 3.42Å | ||
| 1163 | A | 27.9 | Very low | 29.4 | Very low | 45 Ų | 45 | 80.9 Ų | 80.9 | 37% | 0.372 | 42% | 0.42 | S | S | . | . | trans | 61.4 | 129.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116 | L1130 M1171 | L1130-A1163 HydrophobicContact CD2-CB 4.46Å; A1163-M1171 HydrophobicContact CB-CE 4.41Å; A1163-M1171 HydrophobicContact CB-CG 3.82Å | ||
| 1164 | D | 31.3 | Very low | 28.8 | Very low | 137 Ų | 137 | 84.5 Ų | 84.5 | 73% | 0.733 | 43% | 0.426 | S | S | * | . | cis | 72.1 | -149.1 | 2.5 | -153.5 | -110 | 0 | 0 | 0 | 118.1 | ||||
| 1165 | N | 25.1 | Very low | 29 | Very low | 72 Ų | 72 | 90.1 Ų | 90.1 | 39% | 0.385 | 44% | 0.444 | S | S | . | . | trans | -68.5 | 134.2 | -164 | -80.3 | -62 | 0 | 0 | 0 | 113.5 | Q1170 | N1165-Q1170 PolarHBondContact O-N 2.92Š| ||
| 1166 | N | 23.6 | Very low | 28.5 | Very low | 87 Ų | 87 | 95.2 Ų | 95.2 | 47% | 0.465 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | 63 | 123.8 | 58.3 | -52.2 | -53 | 0 | 0 | 0 | 112.1 | |||
| 1167 | Y | 21.2 | Very low | 27.9 | Very low | 213 Ų | 213 | 95.8 Ų | 95.8 | 84% | 0.835 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -94.3 | -28.1 | 8 | -82.2 | -84.5 | 0 | 0 | 0 | 117.4 | ||
| 1168 | D | 21.4 | Very low | 27.8 | Very low | 128 Ų | 128 | 101.4 Ų | 101.4 | 68% | 0.684 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | cis | 85.3 | 38 | 3.8 | -36.8 | -35.6 | 0 | 0 | 0 | 117.8 | Q1170 | D1168-Q1170 WeakPolarHBondContact O-CG 3.43Å; D1168-Q1170 PolarHBondContact O-N 2.94Å |
| 1169 | D | 23 | Very low | 27.2 | Very low | 86 Ų | 86 | 104.9 Ų | 104.9 | 46% | 0.46 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 40.2 | 43.9 | 133.1 | -71.2 | 2.1 | 0 | 0 | 0 | 121 | L1130 M1171 | L1130-D1169 HydrophobicContact CB-CB 4.31Å; L1130-D1169 HydrophobicContact CD2-CB 3.66Å; L1130-D1169 VanDerWaalsContact CD2-CG 3.46Å; L1130-D1169 WeakPolarHBondContact CD2-OD1 3.4Å; L1130-D1169 HydrophobicContact CG-CB 3.92Å; L1130-D1169 VanDerWaalsContact CG-CG 3.47Å; L1130-D1169 WeakPolarHBondContact CG-OD2 3.43Å; D1169-M1171 PolarHBondContact O-N 3.07Å |
| 1170 | Q | 21.9 | Very low | 26.4 | Very low | 92 Ų | 92 | 110 Ų | 110 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | trans | -77.3 | 62.6 | 174 | -63.3 | -167 | 2.8 | 0 | 0 | 113.4 | N1165 D1168 N1172 | N1165-Q1170 PolarHBondContact O-N 2.92Å; D1168-Q1170 WeakPolarHBondContact O-CG 3.43Å; D1168-Q1170 PolarHBondContact O-N 2.94Å; Q1170-N1172 PolarHBondContact O-N 2.86Å | ||
| 1171 | M | 28.3 | Very low | 26 | Very low | 21 Ų | 21 | 110.9 Ų | 110.9 | 10% | 0.103 | 54% | 0.538 | C | S | . | . | trans | -68.2 | 79.7 | 161.4 | -90.5 | -102.8 | -176.5 | 0 | 0 | 110.1 | R1129 L1130 L1131 P1132 A1162 A1163 D1169 | R1129-M1171 PolarHBondContact NH1-SD 2.72Å; R1129-M1171 PolarHBondContact NH2-SD 3.48Å; L1130-M1171 HydrophobicContact CB-CB 4.02Å; L1130-M1171 HydrophobicContact CB-CG 3.67Å; L1130-M1171 HydrophobicContact CD1-CE 4.4Å; L1130-M1171 HydrophobicContact CD2-CB 4.28Å; L1130-M1171 HydrophobicContact CD2-CE 4.39Å; L1130-M1171 HydrophobicContact CD2-CG 3.5Å; L1130-M1171 VanDerWaalsContact CD2-CG 3.5Å; L1130-M1171 HydrophobicContact CG-CG 4.11Å; L1131-M1171 HydrophobicContact CD1-CB 4.1Å; L1131-M1171 HydrophobicContact CG-CB 4.02Å; P1132-M1171 WeakPolarHBondContact CD-O 3.12Å; A1162-M1171 PolarHBondContact N-SD 2.98Å; A1162-M1171 WeakPolarHBondContact O-CE 3.12Å; A1163-M1171 HydrophobicContact CB-CE 4.41Å; A1163-M1171 HydrophobicContact CB-CG 3.82Å; D1169-M1171 PolarHBondContact O-N 3.07Å | ||
| 1172 | N | 26.7 | Very low | 26 | Very low | 53 Ų | 53 | 116.9 Ų | 116.9 | 28% | 0.283 | 55% | 0.551 | S | S | . | * | trans | -91.7 | 137.5 | -179.6 | -111 | 0.5 | 0 | 0 | 0 | 112.9 | H1133 A1162 Q1170 | H1133-N1172 PolarHBondContact CD2-OD1 3.14Å; H1133-N1172 VanDerWaalsContact NE2-CG 3.34Å; H1133-N1172 PolarHBondContact NE2-ND2 2.93Å; H1133-N1172 VanDerWaalsContact NE2-ND2 3.11Å; H1133-N1172 PolarHBondContact NE2-OD1 3.09Å; A1162-N1172 WeakPolarHBondContact CB-O 3.42Å; Q1170-N1172 PolarHBondContact O-N 2.86Å | ||
| 1173 | Y | 23.2 | Very low | 25.9 | Very low | 168 Ų | 168 | 121.3 Ų | 121.3 | 66% | 0.659 | 57% | 0.565 | S | S | * | * | trans | 59.5 | 100.8 | 140.4 | -71.1 | -142.4 | 0 | 0 | 0 | 117.9 | ||||
| 1174 | F | 24.3 | Very low | 26.2 | Very low | 158 Ų | 158 | 125.3 Ų | 125.3 | 69% | 0.693 | 58% | 0.58 | S | S | * | * | -89.4 | 140.4 | 108.6 | -97.1 | -111 | 0 | 0 | 0 | 106.5 | F1160 | F1160-F1174 WeakPolarHBondContact O-CD2 3.27Å; F1160-F1174 WeakPolarHBondContact O-CE2 3.38Å | |||
| 1175 | Y | 26.6 | Very low | 26.2 | Very low | 173 Ų | 173 | 127.2 Ų | 127.2 | 68% | 0.678 | 58% | 0.584 | S | S | * | * | cis | 79.6 | 120.7 | 41 | -88.6 | -71.8 | 0 | 0 | 0 | 116 | ||||
| 1176 | H | 27.5 | Very low | 26.4 | Very low | 153 Ų | 153 | 128.6 Ų | 128.6 | 71% | 0.708 | 60% | 0.598 | S | S | * | * | trans | 79.4 | 138.1 | 141.4 | -90.4 | -54.4 | 0 | 0 | 0 | 122 | ||||
| 1177 | C | 26.2 | Very low | 26.6 | Very low | 77 Ų | 77 | 129 Ų | 129 | 52% | 0.52 | 61% | 0.605 | S | S | . | * | trans | 74.9 | 163 | 135.3 | -70.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1178 | Q | 28.5 | Very low | 27.1 | Very low | 144 Ų | 144 | 124.8 Ų | 124.8 | 67% | 0.673 | 60% | 0.601 | S | S | * | * | cis | -168.7 | 158.5 | -41.8 | -131.8 | 174.9 | -63.9 | 0 | 0 | 109.5 | ||||
| 1179 | D | 26.7 | Very low | 27.1 | Very low | 100 Ų | 100 | 123.9 Ų | 123.9 | 54% | 0.535 | 60% | 0.596 | S | S | . | * | trans | 46.5 | 111.8 | 142.2 | -70.3 | -14.4 | 0 | 0 | 0 | 122.4 | ||||
| 1180 | Y | 24.4 | Very low | 27.6 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 68% | 0.682 | 61% | 0.606 | S | S | * | * | 75.4 | 115.9 | 119.4 | -69 | -40 | 0 | 0 | 0 | 123.2 | |||||
| 1181 | K | 28.6 | Very low | 28.3 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 61% | 0.609 | 62% | 0.615 | S | S | * | * | 75.9 | 160.9 | 122.7 | -61.8 | 170.4 | -178 | 114.4 | 0 | 118.9 | |||||
| 1182 | R | 28.8 | Very low | 28.3 | Very low | 192 Ų | 192 | 133.6 Ų | 133.6 | 73% | 0.725 | 64% | 0.637 | S | S | * | * | trans | 86.1 | 114 | 162.5 | -61 | -163.5 | -161.8 | -78.4 | -3 | 113.4 | ||||
| 1183 | Q | 28.3 | Very low | 28.1 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 63% | 0.626 | 66% | 0.66 | S | S | * | * | 57.8 | 127.7 | 78.1 | -63.6 | 174.1 | -45.5 | 0 | 0 | 109.9 | |||||
| 1184 | N | 34.2 | Very low | 28.1 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 70% | 0.695 | 67% | 0.67 | S | S | * | * | cis | 170.2 | -168.2 | 5.6 | -99.9 | -7.1 | 0 | 0 | 0 | 101.2 | ||||
| 1185 | E | 32.1 | Very low | 28.5 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | trans | -45.8 | 170.7 | 131.5 | -85.3 | -162.8 | 168.7 | 0 | 0 | 114.6 | ||||
| 1186 | P | 29.5 | Very low | 28.7 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 66% | 0.662 | 67% | 0.665 | S | S | * | * | cis | -110.8 | -129.3 | -9.7 | 26.4 | -3.2 | 0 | 0 | 0 | 104.4 | ||||
| 1187 | P | 27 | Very low | 29 | Very low | 94 Ų | 94 | 135 Ų | 135 | 61% | 0.61 | 66% | 0.664 | S | S | * | * | cis | -104.1 | 157.2 | -41.5 | 12.5 | 10.8 | 0 | 0 | 0 | 109.4 | ||||
| 1188 | V | 31.6 | Very low | 29.7 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 76% | 0.758 | 67% | 0.674 | S | S | * | * | 28.7 | 102.4 | 96.8 | -171.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1189 | N | 22.4 | Very low | 30.6 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 58% | 0.583 | 68% | 0.676 | S | S | * | * | trans | 160.9 | 151.3 | 157.2 | -80.9 | -5.2 | 0 | 0 | 0 | 108.3 | ||||
| 1190 | F | 32.1 | Very low | 31.5 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 68% | 0.68 | 68% | 0.683 | S | S | * | * | cis | -147.4 | 145.3 | -24.1 | -100.1 | -29 | 0 | 0 | 0 | 105.6 | ||||
| 1191 | K | 37.8 | Very low | 32.5 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 62% | 0.617 | 67% | 0.674 | S | S | * | * | cis | 55.7 | 59.7 | 14.1 | -168.4 | -118.5 | 169.6 | -83.2 | 0 | 113.9 | ||||
| 1192 | D | 28.6 | Very low | 33.3 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | S | Bend | -162.4 | 172.2 | 101.9 | -85.7 | -33.6 | 0 | 0 | 0 | 110.5 | W1194 | D1192-W1194 PolarHBondContact O-N 3.11Š| |
| 1193 | H | 22.9 | Very low | 34.1 | Very low | 164 Ų | 164 | 122.6 Ų | 122.6 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 54.1 | -9.3 | 162.9 | -146.1 | -53.4 | 0 | 0 | 0 | 119.4 | ||
| 1194 | W | 21.7 | Very low | 34.2 | Very low | 228 Ų | 228 | 126.4 Ų | 126.4 | 86% | 0.864 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 53.2 | -168.9 | -151.9 | -39.5 | -72.4 | 0 | 0 | 0 | 111.4 | D1192 | D1192-W1194 PolarHBondContact O-N 3.11Š|
| 1195 | L | 33.6 | Very low | 33.7 | Very low | 110 Ų | 110 | 120.7 Ų | 120.7 | 58% | 0.576 | 65% | 0.646 | S | S | * | * | trans | 69.1 | -179.9 | 169.2 | -40 | -172 | 0 | 0 | 0 | 113.1 | N1197 | L1195-N1197 WeakPolarHBondContact CD2-O 3.07Š| ||
| 1196 | P | 30.5 | Very low | 33.3 | Very low | 107 Ų | 107 | 118.1 Ų | 118.1 | 70% | 0.695 | 63% | 0.632 | S | S | * | * | S | Bend | -129 | 41.4 | 73.5 | 40.9 | -29.5 | 0 | 0 | 0 | 114.1 | |||
| 1197 | N | 33.9 | Very low | 33.1 | Very low | 127 Ų | 127 | 115 Ų | 115 | 68% | 0.679 | 61% | 0.61 | S | S | * | * | -167 | -159.8 | 119.7 | -93.2 | -48.6 | 0 | 0 | 0 | 108.1 | L1195 | L1195-N1197 WeakPolarHBondContact CD2-O 3.07Š| |||
| 1198 | G | 41.8 | Very low | 33 | Very low | 72 Ų | 72 | 114.3 Ų | 114.3 | 74% | 0.742 | 60% | 0.599 | S | S | * | * | S | Bend | -61.9 | -121.7 | 126.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||
| 1199 | G | 46 | Very low | 32.9 | Very low | 69 Ų | 69 | 112.2 Ų | 112.2 | 71% | 0.711 | 58% | 0.579 | S | S | * | * | trans | 101.2 | -170.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1200 | P | 46.5 | Very low | 33.1 | Very low | 106 Ų | 106 | 111.4 Ų | 111.4 | 69% | 0.688 | 58% | 0.575 | S | S | * | * | trans | -91 | -178.5 | -161 | 40.6 | -40.1 | 0 | 0 | 0 | 113.6 | ||||
| 1201 | D | 44.7 | Very low | 33 | Very low | 90 Ų | 90 | 106.9 Ų | 106.9 | 48% | 0.481 | 56% | 0.562 | S | S | . | * | cis | -141 | -161.1 | 11.8 | -149.8 | -72.2 | 0 | 0 | 0 | 111.6 | Q1208 | D1201-Q1208 HydrophobicContact CB-CB 4.26Š| ||
| 1202 | L | 44.7 | Very low | 32.5 | Very low | 141 Ų | 141 | 107 Ų | 107 | 74% | 0.738 | 57% | 0.569 | S | S | * | * | trans | -111.7 | -178.5 | -173.6 | -62.6 | 125.1 | 0 | 0 | 0 | 113 | ||||
| 1203 | N | 47.3 | Very low | 32.4 | Very low | 87 Ų | 87 | 107.2 Ų | 107.2 | 47% | 0.465 | 58% | 0.575 | S | S | . | * | trans | 83.5 | 157.6 | 138 | -151.5 | -6.9 | 0 | 0 | 0 | 120.1 | N1205 D1207 | N1203-N1205 WeakPolarHBondContact OD1-CB 3.44Å; N1203-N1205 PolarHBondContact OD1-N 2.86Å; N1203-D1207 WeakPolarHBondContact CB-O 3.46Å | ||
| 1204 | W | 28.6 | Very low | 32.7 | Very low | 214 Ų | 214 | 102.8 Ų | 102.8 | 81% | 0.811 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -118.7 | -14.6 | 172.6 | -130.4 | 73.2 | 0 | 0 | 0 | 112.7 | K1206 | W1204-K1206 PolarHBondContact O-N 3.13Š|
| 1205 | N | 23.6 | Very low | 33.1 | Very low | 11 Ų | 11 | 95.1 Ų | 95.1 | 6% | 0.059 | 54% | 0.544 | C | S | . | . | S | Bend | trans | -76.3 | 94.8 | 167.4 | 176.7 | 18.9 | 0 | 0 | 0 | 108.6 | K66 E68 N1203 D1207 | K66-N1205 HydrophobicContact CD-CB 4.22Å; K66-N1205 PolarHBondContact NZ-OD1 3.28Å; E68-N1205 WeakPolarHBondContact OE2-CB 3.46Å; E68-N1205 PolarHBondContact OE2-ND2 2.76Å; N1203-N1205 WeakPolarHBondContact OD1-CB 3.44Å; N1203-N1205 PolarHBondContact OD1-N 2.86Å; N1205-D1207 VanDerWaalsContact O-CA 3.23Å; N1205-D1207 WeakPolarHBondContact O-CA 3.23Å; N1205-D1207 WeakPolarHBondContact O-CB 3.16Å; N1205-D1207 PolarHBondContact O-N 2.82Å; N1205-D1207 VanDerWaalsContact O-OD2 3.1Å |
| 1206 | K | 24.4 | Very low | 32.9 | Very low | 121 Ų | 121 | 93.1 Ų | 93.1 | 53% | 0.526 | 54% | 0.54 | S | S | . | . | S | Bend | trans | 54.3 | -80.6 | 165.1 | -44 | 170.9 | -38.5 | -67.2 | 0 | 113.3 | W1204 K1209 | W1204-K1206 PolarHBondContact O-N 3.13Å; K1206-K1209 VanDerWaalsContact O-CG 3.22Å; K1206-K1209 WeakPolarHBondContact O-CG 3.33Å; K1206-K1209 PolarHBondContact O-N 2.78Å |
| 1207 | D | 26.2 | Very low | 34.2 | Very low | 38 Ų | 38 | 94.3 Ų | 94.3 | 20% | 0.203 | 54% | 0.54 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -33.2 | 141.4 | 161.6 | -35.5 | -37.4 | 0 | 0 | 0 | 112.4 | N1203 N1205 K1209 | N1203-D1207 WeakPolarHBondContact CB-O 3.46Å; N1205-D1207 VanDerWaalsContact O-CA 3.23Å; N1205-D1207 WeakPolarHBondContact O-CA 3.23Å; N1205-D1207 WeakPolarHBondContact O-CB 3.16Å; N1205-D1207 PolarHBondContact O-N 2.82Å; N1205-D1207 VanDerWaalsContact O-OD2 3.1Å; D1207-K1209 WeakPolarHBondContact OD1-CE 3.1Å; D1207-K1209 IonicContact OD1-NZ 3.9Å; D1207-K1209 PolarHBondContact OD1-NZ 2.77Å |
| 1208 | Q | 25 | Very low | 34 | Very low | 79 Ų | 79 | 96.7 Ų | 96.7 | 37% | 0.369 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -91.5 | 91.4 | -42.5 | -128.8 | 75.5 | -63.2 | 0 | 0 | 106.9 | D1201 N1210 | D1201-Q1208 HydrophobicContact CB-CB 4.26Å; Q1208-N1210 CarbonylContact C-O 2.96Å; Q1208-N1210 VanDerWaalsContact CB-O 3.28Å; Q1208-N1210 WeakPolarHBondContact CB-O 3.01Å; Q1208-N1210 HydrophobicContact CG-CB 4.3Å |
| 1209 | K | 28 | Very low | 34 | Very low | 80 Ų | 80 | 98.9 Ų | 98.9 | 35% | 0.348 | 53% | 0.525 | S | S | . | . | 40.7 | -137.5 | 105.9 | -49.7 | 161.5 | -172 | 135.9 | 0 | 114.8 | K1206 D1207 R1218 | K1206-K1209 VanDerWaalsContact O-CG 3.22Å; K1206-K1209 WeakPolarHBondContact O-CG 3.33Å; K1206-K1209 PolarHBondContact O-N 2.78Å; D1207-K1209 WeakPolarHBondContact OD1-CE 3.1Å; D1207-K1209 IonicContact OD1-NZ 3.9Å; D1207-K1209 PolarHBondContact OD1-NZ 2.77Å; K1209-R1218 PolarHBondContact O-NH2 3.15Å | |||
| 1210 | N | 27.5 | Very low | 33.3 | Very low | 92 Ų | 92 | 97.8 Ų | 97.8 | 49% | 0.492 | 51% | 0.506 | S | S | . | . | 8.6 | 128.4 | 114.5 | -39.4 | -2.9 | 0 | 0 | 0 | 112 | Q1208 | Q1208-N1210 CarbonylContact C-O 2.96Å; Q1208-N1210 VanDerWaalsContact CB-O 3.28Å; Q1208-N1210 WeakPolarHBondContact CB-O 3.01Å; Q1208-N1210 HydrophobicContact CG-CB 4.3Å | |||
| 1211 | S | 29.7 | Very low | 32.4 | Very low | 60 Ų | 60 | 95.8 Ų | 95.8 | 42% | 0.42 | 49% | 0.492 | S | S | . | . | 142.5 | 145.8 | 57.4 | -112.5 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 1212 | I | 27.6 | Very low | 31.9 | Very low | 146 Ų | 146 | 93.7 Ų | 93.7 | 75% | 0.749 | 48% | 0.484 | S | S | * | . | S | Bend | cis | -140.1 | 143.4 | 2.2 | -54.1 | -177.9 | 0 | 0 | 0 | 105.9 | ||
| 1213 | P | 25.4 | Very low | 31.3 | Very low | 109 Ų | 109 | 92 Ų | 92 | 71% | 0.708 | 48% | 0.475 | S | S | * | . | S | Bend | cis | -122.1 | 111.8 | 1.3 | 25.8 | -4.6 | 0 | 0 | 0 | 112.8 | ||
| 1214 | S | 29.3 | Very low | 30.2 | Very low | 72 Ų | 72 | 93.8 Ų | 93.8 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | cis | -145.4 | -109.5 | -14.4 | 63 | 0 | 0 | 0 | 0 | 107.9 | S1216 | S1214-S1216 PolarHBondContact O-N 2.67Š| ||
| 1215 | S | 30.9 | Very low | 30 | Very low | 67 Ų | 67 | 87.5 Ų | 87.5 | 47% | 0.469 | 46% | 0.459 | S | S | . | . | trans | 26.7 | 73 | 130.8 | 57.4 | 0 | 0 | 0 | 0 | 115.7 | N1217 | S1215-N1217 PolarHBondContact O-N 3.44Š| ||
| 1216 | S | 29.4 | Very low | 30.5 | Very low | 68 Ų | 68 | 89.8 Ų | 89.8 | 48% | 0.476 | 48% | 0.476 | S | S | . | . | 62.4 | -14.2 | 87.9 | 74.9 | 0 | 0 | 0 | 0 | 117 | S1214 R1218 | S1214-S1216 PolarHBondContact O-N 2.67Å; S1216-R1218 WeakPolarHBondContact O-CB 3.1Å; S1216-R1218 VanDerWaalsContact O-CD 3.26Å; S1216-R1218 WeakPolarHBondContact O-CD 3.41Å; S1216-R1218 WeakPolarHBondContact O-CG 3.26Å; S1216-R1218 PolarHBondContact O-N 2.7Å; S1216-R1218 VanDerWaalsContact O-N 3.14Å | |||
| 1217 | N | 58 | Low | 30.4 | Very low | 132 Ų | 132 | 89.4 Ų | 89.4 | 71% | 0.706 | 47% | 0.471 | S | S | * | . | trans | -72.4 | -14.4 | -168.8 | -69.3 | 21.2 | 0 | 0 | 0 | 112.7 | S1215 R1219 | S1215-N1217 PolarHBondContact O-N 3.44Å; N1217-R1219 VanDerWaalsContact C-N 3.34Å; N1217-R1219 PolarHBondContact O-N 2.81Å | ||
| 1218 | R | 30.5 | Very low | 30.2 | Very low | 176 Ų | 176 | 91.1 Ų | 91.1 | 66% | 0.664 | 48% | 0.483 | S | S | * | . | trans | 48.9 | -81.1 | 157 | -69 | 163.9 | -173.2 | -135.5 | -1.1 | 111.5 | K1209 S1216 | K1209-R1218 PolarHBondContact O-NH2 3.15Å; S1216-R1218 WeakPolarHBondContact O-CB 3.1Å; S1216-R1218 VanDerWaalsContact O-CD 3.26Å; S1216-R1218 WeakPolarHBondContact O-CD 3.41Å; S1216-R1218 WeakPolarHBondContact O-CG 3.26Å; S1216-R1218 PolarHBondContact O-N 2.7Å; S1216-R1218 VanDerWaalsContact O-N 3.14Å | ||
| 1219 | R | 40.2 | Very low | 30.4 | Very low | 118 Ų | 118 | 90.2 Ų | 90.2 | 45% | 0.445 | 48% | 0.477 | S | S | . | . | -100.4 | 165.5 | -70.5 | -118.1 | -137.3 | 92.7 | -162.2 | -5.5 | 105.7 | N1157 D1158 D1159 N1217 T1221 R1512 | N1157-R1219 PolarHBondContact OD1-O 2.72Å; D1158-R1219 IonicContact OD1-NH2 3.02Å; D1158-R1219 PolarHBondContact OD1-NH2 2.71Å; D1158-R1219 IonicContact OD2-CZ 3.34Å; D1158-R1219 IonicContact OD2-NE 2.73Å; D1158-R1219 PolarHBondContact OD2-NE 3.49Å; D1158-R1219 IonicContact OD2-NH1 3.6Å; D1158-R1219 PolarHBondContact OD2-NH1 2.59Å; D1158-R1219 IonicContact OD2-NH2 3.84Å; D1158-R1219 PolarHBondContact OD2-NH2 3.03Å; D1159-R1219 IonicContact OD2-NH2 3.86Å; D1159-R1219 PolarHBondContact OD2-NH2 2.75Å; N1217-R1219 VanDerWaalsContact C-N 3.34Å; N1217-R1219 PolarHBondContact O-N 2.81Å; R1219-T1221 PolarHBondContact NH2-OG1 3.42Å; R1219-R1512 PolarHBondContact O-NE 2.72Å; R1219-R1512 PolarHBondContact O-NH2 2.64Å | |||
| 1220 | P | 30.9 | Very low | 30.2 | Very low | 46 Ų | 46 | 90.6 Ų | 90.6 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | -145.4 | -120.7 | -129 | 37.4 | -11.3 | 0 | 0 | 0 | 110.8 | D1158 S1222 | D1158-P1220 WeakPolarHBondContact OD2-CD 3.38Å; P1220-S1222 PolarHBondContact O-N 2.72Å | |||
| 1221 | T | 29.3 | Very low | 30.3 | Very low | 65 Ų | 65 | 92 Ų | 92 | 40% | 0.399 | 49% | 0.489 | S | S | . | . | trans | 40.7 | 6.3 | 151.4 | 45.9 | 0 | 0 | 0 | 0 | 122.6 | D1158 R1219 K1225 | D1158-T1221 WeakPolarHBondContact OD1-CA 2.93Å; D1158-T1221 WeakPolarHBondContact OD1-CB 3.25Å; D1158-T1221 PolarHBondContact OD1-N 2.58Å; D1158-T1221 PolarHBondContact OD1-OG1 2.67Å; R1219-T1221 PolarHBondContact NH2-OG1 3.42Å; T1221-K1225 PolarHBondContact O-NZ 2.71Å; T1221-K1225 VanDerWaalsContact O-NZ 3.13Å | ||
| 1222 | S | 33.5 | Very low | 30.2 | Very low | 45 Ų | 45 | 98.4 Ų | 98.4 | 32% | 0.315 | 50% | 0.504 | S | S | . | . | 78.1 | 166.4 | 100.4 | 71.1 | 0 | 0 | 0 | 0 | 116.5 | D1158 P1220 K1225 | D1158-S1222 PolarHBondContact OD1-N 3.2Å; P1220-S1222 PolarHBondContact O-N 2.72Å; S1222-K1225 PolarHBondContact O-NZ 3.12Å | |||
| 1223 | L | 31.8 | Very low | 30.3 | Very low | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 50% | 0.497 | S | S | . | . | trans | 61.6 | 100.8 | 141.4 | -132.1 | 92.2 | 0 | 0 | 0 | 112.7 | K1225 S1226 | L1223-K1225 HydrophobicContact CB-CG 3.98Å; L1223-K1225 HydrophobicContact CD2-CG 3.88Å; L1223-K1225 HydrophobicContact CG-CG 4.33Å; L1223-K1225 VanDerWaalsContact CG-N 3.32Å; L1223-K1225 WeakPolarHBondContact O-CB 3.3Å; L1223-K1225 WeakPolarHBondContact O-CD 3.23Å; L1223-K1225 WeakPolarHBondContact O-CE 3.23Å; L1223-K1225 WeakPolarHBondContact O-CG 3.46Å; L1223-K1225 PolarHBondContact O-N 2.63Å; L1223-K1225 PolarHBondContact O-NZ 2.72Å; L1223-S1226 WeakPolarHBondContact CD2-OG 3.16Å; L1223-S1226 VanDerWaalsContact CG-OG 3.32Å; L1223-S1226 WeakPolarHBondContact CG-OG 3.33Å | ||
| 1224 | H | 25.4 | Very low | 30.9 | Very low | 125 Ų | 125 | 101 Ų | 101 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | -69.8 | 88.4 | 121.9 | -103.8 | 10.3 | 0 | 0 | 0 | 104.9 | R1128 S1226 | R1128-H1224 PolarHBondContact NH2-CD2 2.85Å; H1224-S1226 VanDerWaalsContact O-CB 3.31Å; H1224-S1226 WeakPolarHBondContact O-CB 2.77Å; H1224-S1226 PolarHBondContact O-N 2.62Å | |||
| 1225 | K | 24.3 | Very low | 30.5 | Very low | 83 Ų | 83 | 103.7 Ų | 103.7 | 36% | 0.361 | 52% | 0.516 | S | S | . | . | 40.5 | 52.8 | 71.4 | -64.8 | 156.2 | -155.2 | 129.3 | 0 | 106.9 | T1221 S1222 L1223 | T1221-K1225 PolarHBondContact O-NZ 2.71Å; T1221-K1225 VanDerWaalsContact O-NZ 3.13Å; S1222-K1225 PolarHBondContact O-NZ 3.12Å; L1223-K1225 HydrophobicContact CB-CG 3.98Å; L1223-K1225 HydrophobicContact CD2-CG 3.88Å; L1223-K1225 HydrophobicContact CG-CG 4.33Å; L1223-K1225 VanDerWaalsContact CG-N 3.32Å; L1223-K1225 WeakPolarHBondContact O-CB 3.3Å; L1223-K1225 WeakPolarHBondContact O-CD 3.23Å; L1223-K1225 WeakPolarHBondContact O-CE 3.23Å; L1223-K1225 WeakPolarHBondContact O-CG 3.46Å; L1223-K1225 PolarHBondContact O-N 2.63Å; L1223-K1225 PolarHBondContact O-NZ 2.72Å | |||
| 1226 | S | 32.6 | Very low | 30.3 | Very low | 59 Ų | 59 | 109.6 Ų | 109.6 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | cis | 43.6 | 58.3 | 44.7 | 86.6 | 0 | 0 | 0 | 0 | 110.2 | L1223 H1224 V1228 | L1223-S1226 WeakPolarHBondContact CD2-OG 3.16Å; L1223-S1226 VanDerWaalsContact CG-OG 3.32Å; L1223-S1226 WeakPolarHBondContact CG-OG 3.33Å; H1224-S1226 VanDerWaalsContact O-CB 3.31Å; H1224-S1226 WeakPolarHBondContact O-CB 2.77Å; H1224-S1226 PolarHBondContact O-N 2.62Å; S1226-V1228 PolarHBondContact O-N 3.46Å | ||
| 1227 | R | 22.8 | Very low | 30.2 | Very low | 113 Ų | 113 | 108 Ų | 108 | 43% | 0.426 | 52% | 0.517 | S | S | . | . | cis | 47.5 | 24.4 | 47.5 | -146.5 | -163.9 | 177.7 | 110 | -3 | 113.9 | P1125 H1126 V1127 S1230 | P1125-R1227 PolarHBondContact O-NE 2.84Å; P1125-R1227 PolarHBondContact O-NH2 2.82Å; H1126-R1227 WeakPolarHBondContact CD2-CD 3.29Å; H1126-R1227 WeakPolarHBondContact NE2-CD 3.45Å; V1127-R1227 PolarHBondContact O-NH1 2.64Å; R1227-S1230 PolarHBondContact O-OG 3.3Å | ||
| 1228 | V | 22.8 | Very low | 28.5 | Very low | 74 Ų | 74 | 107 Ų | 107 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | trans | -114.8 | 100.8 | 131.3 | -163.1 | 0 | 0 | 0 | 0 | 103.6 | L1005 S1226 | L1005-V1228 HydrophobicContact CD1-CB 3.78Å; L1005-V1228 HydrophobicContact CD1-CG1 3.96Å; L1005-V1228 HydrophobicContact CD1-CG2 4.07Å; L1005-V1228 HydrophobicContact CD2-CB 4.02Å; L1005-V1228 HydrophobicContact CD2-CG1 3.9Å; L1005-V1228 HydrophobicContact CG-CG1 4.35Å; S1226-V1228 PolarHBondContact O-N 3.46Å | ||
| 1229 | F | 27.8 | Very low | 28.3 | Very low | 59 Ų | 59 | 100.5 Ų | 100.5 | 26% | 0.259 | 49% | 0.49 | S | S | . | . | cis | -106.6 | 152.7 | 30.3 | -73 | -84.5 | 0 | 0 | 0 | 114.2 | L1005 I1008 V1009 R1231 | L1005-F1229 HydrophobicContact CD2-CD2 4.45Å; L1005-F1229 HydrophobicContact CD2-CE2 3.53Å; L1005-F1229 HydrophobicContact CD2-CZ 4Å; I1008-F1229 HydrophobicContact CB-CD2 4.36Å; I1008-F1229 HydrophobicContact CB-CE2 3.44Å; I1008-F1229 VanDerWaalsContact CB-CE2 3.44Å; I1008-F1229 HydrophobicContact CB-CZ 3.95Å; I1008-F1229 HydrophobicContact CG2-CD2 3.66Å; I1008-F1229 HydrophobicContact CG2-CE2 3.21Å; I1008-F1229 HydrophobicContact CG2-CZ 3.98Å; V1009-F1229 HydrophobicContact CB-CE1 3.75Å; V1009-F1229 HydrophobicContact CB-CZ 3.89Å; V1009-F1229 HydrophobicContact CG2-CD1 4.22Å; V1009-F1229 HydrophobicContact CG2-CE1 3.36Å; V1009-F1229 HydrophobicContact CG2-CZ 3.96Å; F1229-R1231 HydrophobicContact CB-CB 4.19Å; F1229-R1231 HydrophobicContact CB-CG 3.89Å; F1229-R1231 HydrophobicContact CD1-CG 4.04Å; F1229-R1231 HydrophobicContact CG-CG 4.09Å | ||
| 1230 | S | 24.3 | Very low | 28.1 | Very low | 88 Ų | 88 | 97.4 Ų | 97.4 | 62% | 0.615 | 48% | 0.479 | S | S | * | . | cis | 70.4 | 25.8 | 11.9 | -34.2 | 0 | 0 | 0 | 0 | 115.5 | R1227 | R1227-S1230 PolarHBondContact O-OG 3.3Š| ||
| 1231 | R | 29.8 | Very low | 27.8 | Very low | 122 Ų | 122 | 95.2 Ų | 95.2 | 46% | 0.46 | 47% | 0.465 | S | S | . | . | trans | -131.2 | 132.4 | 162.3 | -73.4 | 176.4 | -168.3 | -176 | 8.5 | 105.8 | I1008 F1229 | I1008-R1231 PolarHBondContact O-NH2 3.34Å; F1229-R1231 HydrophobicContact CB-CB 4.19Å; F1229-R1231 HydrophobicContact CB-CG 3.89Å; F1229-R1231 HydrophobicContact CD1-CG 4.04Å; F1229-R1231 HydrophobicContact CG-CG 4.09Å | ||
| 1232 | R | 28.1 | Very low | 28.2 | Very low | 194 Ų | 194 | 92.2 Ų | 92.2 | 73% | 0.732 | 45% | 0.446 | S | S | * | . | S | Bend | cis | -143.2 | 161.2 | 4.5 | -128.3 | -171.2 | 176.4 | 161.6 | -3.3 | 109 | ||
| 1233 | P | 29.1 | Very low | 27.8 | Very low | 95 Ų | 95 | 90 Ų | 90 | 62% | 0.617 | 43% | 0.431 | S | S | * | . | -87.8 | -173.8 | -115.1 | 39.1 | -26.4 | 0 | 0 | 0 | 111.8 | |||||
| 1234 | R | 37.6 | Very low | 27.6 | Very low | 216 Ų | 216 | 85.1 Ų | 85.1 | 82% | 0.815 | 41% | 0.405 | S | S | * | . | trans | 48.8 | 113.1 | 141.5 | -75.5 | 168.6 | -178.1 | 168.9 | 0.2 | 115.6 | ||||
| 1235 | T | 20.8 | Very low | 27.8 | Very low | 128 Ų | 128 | 80 Ų | 80 | 79% | 0.785 | 38% | 0.382 | S | S | * | . | -73.6 | 108.9 | 83.7 | -25.6 | 0 | 0 | 0 | 0 | 112.2 | S1237 | T1235-S1237 WeakPolarHBondContact CB-OG 3.37Å; T1235-S1237 WeakPolarHBondContact CG2-OG 3.45Å; T1235-S1237 PolarHBondContact O-OG 3.33Å | |||
| 1236 | R | 27.6 | Very low | 28 | Very low | 191 Ų | 191 | 79.1 Ų | 79.1 | 72% | 0.721 | 39% | 0.39 | S | S | * | . | trans | 30.9 | -134.5 | 148.9 | 177.5 | -169.7 | 166.4 | -137.1 | 9 | 114.1 | ||||
| 1237 | S | 27.2 | Very low | 28.3 | Very low | 34 Ų | 34 | 79 Ų | 79 | 24% | 0.238 | 39% | 0.385 | C | S | . | . | 85.2 | 121.9 | 89.4 | 62.9 | 0 | 0 | 0 | 0 | 111.6 | T1235 | T1235-S1237 WeakPolarHBondContact CB-OG 3.37Å; T1235-S1237 WeakPolarHBondContact CG2-OG 3.45Å; T1235-S1237 PolarHBondContact O-OG 3.33Å | |||
| 1238 | I | 22.4 | Very low | 28.6 | Very low | 111 Ų | 111 | 78.9 Ų | 78.9 | 57% | 0.569 | 39% | 0.388 | S | S | * | . | cis | 67 | 78.7 | 43.7 | -44.6 | 159.2 | 0 | 0 | 0 | 109 | ||||
| 1239 | P | 26 | Very low | 29.4 | Very low | 39 Ų | 39 | 75.8 Ų | 75.8 | 25% | 0.253 | 37% | 0.37 | S | S | . | . | cis | -139 | -166.8 | -2.5 | 45.9 | -27.8 | 0 | 0 | 0 | 110.7 | Y2347 | P1239-Y2347 HydrophobicContact CB-CG 4.36Å; P1239-Y2347 WeakPolarHBondContact CB-O 3.01Å; P1239-Y2347 HydrophobicContact CG-CD1 3.16Å; P1239-Y2347 HydrophobicContact CG-CD2 3.85Å; P1239-Y2347 HydrophobicContact CG-CE1 3.84Å; P1239-Y2347 HydrophobicContact CG-CE2 4.42Å; P1239-Y2347 HydrophobicContact CG-CG 3.13Å; P1239-Y2347 WeakPolarHBondContact CG-O 3.44Å | ||
| 1240 | R | 34.9 | Very low | 29.4 | Very low | 54 Ų | 54 | 77.3 Ų | 77.3 | 20% | 0.204 | 39% | 0.385 | C | S | . | . | 62.1 | 161 | 86.3 | -59.8 | 166 | 151.4 | 123.8 | -4.6 | 113.1 | Y2347 A2348 Q2349 K2351 S2352 | R1240-Y2347 HydrophobicContact CB-CD2 3.97Å; R1240-Y2347 HydrophobicContact CB-CG 4.38Å; R1240-Y2347 WeakPolarHBondContact CD-O 3.14Å; R1240-Y2347 VanDerWaalsContact O-CE2 3.26Å; R1240-Y2347 WeakPolarHBondContact O-CE2 3.26Å; R1240-A2348 PolarHBondContact NE-O 2.8Å; R1240-A2348 PolarHBondContact NH1-O 2.89Å; R1240-A2348 VanDerWaalsContact NH1-O 3.08Å; R1240-A2348 PolarHBondContact NH2-O 3.19Å; R1240-Q2349 VanDerWaalsContact CZ-O 3.29Å; R1240-Q2349 PolarHBondContact NE-O 2.86Å; R1240-Q2349 VanDerWaalsContact NE-O 3.09Å; R1240-Q2349 PolarHBondContact NH2-O 2.82Å; R1240-K2351 HydrophobicContact CB-CB 4.18Å; R1240-K2351 HydrophobicContact CG-CB 3.01Å; R1240-K2351 HydrophobicContact CG-CD 4.16Å; R1240-K2351 HydrophobicContact CG-CG 4.19Å; R1240-K2351 VanDerWaalsContact NE-N 3.11Å; R1240-S2352 VanDerWaalsContact NH2-CB 3.27Å; R1240-S2352 PolarHBondContact NH2-OG 2.87Å | |||
| 1241 | Q | 24.6 | Very low | 29.5 | Very low | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | cis | -139 | -146.7 | -6.3 | -142.3 | 148.2 | 121.4 | 0 | 0 | 111.5 | R1477 Q1479 Q2346 Y2347 L2350 | Q1241-R1477 VanDerWaalsContact C-CB 3.49Å; Q1241-R1477 HydrophobicContact CB-CG 4.11Å; Q1241-R1477 CarbonylContact O-C 3.09Å; Q1241-R1477 WeakPolarHBondContact O-CA 3.49Å; Q1241-R1477 WeakPolarHBondContact O-CB 3.03Å; Q1241-R1477 VanDerWaalsContact O-CG 3.25Å; Q1241-R1477 WeakPolarHBondContact O-CG 3.32Å; Q1241-Q1479 VanDerWaalsContact CA-OE1 3.26Å; Q1241-Q1479 WeakPolarHBondContact O-CB 3.22Å; Q1241-Q1479 WeakPolarHBondContact O-CG 3.44Å; Q1241-Q2346 VanDerWaalsContact CB-O 3.23Å; Q1241-Q2346 WeakPolarHBondContact CB-O 3.49Å; Q1241-Q2346 PolarHBondContact NE2-O 2.96Å; Q1241-Q2346 VanDerWaalsContact OE1-CA 3.31Å; Q1241-Q2346 PolarHBondContact OE1-O 3.45Å; Q1241-Y2347 HydrophobicContact CB-CD2 4.02Å; Q1241-Y2347 HydrophobicContact CB-CE2 4.44Å; Q1241-Y2347 VanDerWaalsContact NE2-N 3.16Å; Q1241-L2350 HydrophobicContact CG-CB 3.81Å; Q1241-L2350 HydrophobicContact CG-CD2 3.47Å; Q1241-L2350 VanDerWaalsContact CG-CD2 3.47Å; Q1241-L2350 HydrophobicContact CG-CG 3.48Å; Q1241-L2350 VanDerWaalsContact CG-CG 3.48Å | ||
| 1242 | H | 38.1 | Very low | 30.3 | Very low | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | trans | -114.6 | 152 | 178.2 | -52.4 | -142.6 | 0 | 0 | 0 | 110.7 | R1477 Q1479 H1480 V1481 P1482 E2185 L2350 | H1242-R1477 WeakPolarHBondContact O-CB 2.91Å; H1242-R1477 WeakPolarHBondContact O-CD 3.39Å; H1242-R1477 VanDerWaalsContact O-CG 3.24Å; H1242-R1477 WeakPolarHBondContact O-CG 3.17Å; H1242-R1477 PolarHBondContact O-NE 3.41Å; H1242-R1477 PolarHBondContact O-NH1 2.88Å; H1242-Q1479 HydrophobicContact CB-CB 4.4Å; H1242-Q1479 WeakPolarHBondContact CD2-CB 3.24Å; H1242-Q1479 VanDerWaalsContact CG-CB 3.5Å; H1242-H1480 AromaticContact CE1-CD2 3.28Å; H1242-H1480 PolarHBondContact CE1-CD2 2.65Å; H1242-H1480 AromaticContact CE1-CE1 2.32Å; H1242-H1480 PolarHBondContact CE1-CE1 2.88Å; H1242-H1480 AromaticContact CE1-CG 2.94Å; H1242-H1480 PolarHBondContact CE1-N 2.73Å; H1242-H1480 AromaticContact CE1-ND1 2.31Å; H1242-H1480 PolarHBondContact CE1-ND1 3.22Å; H1242-H1480 AromaticContact CE1-NE2 2.89Å; H1242-H1480 PolarHBondContact CE1-NE2 3.18Å; H1242-H1480 AromaticContact CG-CE1 3.97Å; H1242-H1480 AromaticContact ND1-CD2 3.95Å; H1242-H1480 AromaticContact ND1-CE1 3.27Å; H1242-H1480 PolarHBondContact ND1-CE1 2.84Å; H1242-H1480 VanDerWaalsContact ND1-CE1 3.27Å; H1242-H1480 AromaticContact ND1-CG 3.7Å; H1242-H1480 PolarHBondContact ND1-N 2.66Å; H1242-H1480 VanDerWaalsContact ND1-N 3.18Å; H1242-H1480 AromaticContact ND1-ND1 3.27Å; H1242-H1480 PolarHBondContact ND1-ND1 3.39Å; H1242-H1480 AromaticContact ND1-NE2 3.64Å; H1242-H1480 WeakPolarHBondContact NE2-CA 3.46Å; H1242-H1480 PolarHBondContact NE2-N 3Å; H1242-V1481 PolarHBondContact NE2-O 3.36Å; H1242-P1482 WeakPolarHBondContact NE2-CD 2.91Å; H1242-P1482 VanDerWaalsContact NE2-N 3.15Å; H1242-E2185 WeakPolarHBondContact CB-OE1 3.42Å; H1242-E2185 WeakPolarHBondContact CB-OE2 3.32Å; H1242-E2185 IonicContact CE1-OE1 3.41Å; H1242-E2185 IonicContact CG-OE1 2.7Å; H1242-E2185 IonicContact ND1-OE1 2.73Å; H1242-E2185 VanDerWaalsContact O-OE2 3.11Å; H1242-L2350 HydrophobicContact CB-CD1 4.42Å; H1242-L2350 HydrophobicContact CB-CD2 3.99Å; H1242-L2350 HydrophobicContact CB-CG 4.42Å; H1242-L2350 WeakPolarHBondContact CD2-CD1 3.47Å; H1242-L2350 WeakPolarHBondContact CD2-CG 3.36Å | ||
| 1243 | P | 26.5 | Very low | 30.9 | Very low | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | -157.6 | 179.4 | 97.6 | 37.5 | -14.8 | 0 | 0 | 0 | 114.2 | Q1476 Q1478 K2182 E2185 | P1243-Q1476 HydrophobicContact CG-CG 4.17Å; P1243-Q1478 WeakPolarHBondContact O-CG 3.37Å; P1243-K2182 HydrophobicContact CB-CB 3.71Å; P1243-K2182 HydrophobicContact CB-CG 3.84Å; P1243-K2182 HydrophobicContact CG-CB 3.51Å; P1243-K2182 HydrophobicContact CG-CD 3.62Å; P1243-K2182 HydrophobicContact CG-CG 3.46Å; P1243-K2182 VanDerWaalsContact CG-CG 3.46Å; P1243-E2185 VanDerWaalsContact CA-OE2 3.24Å; P1243-E2185 WeakPolarHBondContact CA-OE2 3.2Å; P1243-E2185 HydrophobicContact CB-CB 4.34Å; P1243-E2185 VanDerWaalsContact CB-OE2 3.24Å; P1243-E2185 WeakPolarHBondContact CB-OE2 3.3Å | |||
| 1244 | S | 27 | Very low | 30.9 | Very low | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | trans | 57.2 | 93.7 | 143.2 | 70.2 | 0 | 0 | 0 | 0 | 118.2 | Q1478 L2178 S2181 | S1244-Q1478 PolarHBondContact O-NE2 3.2Å; S1244-L2178 VanDerWaalsContact CB-O 3.24Å; S1244-L2178 WeakPolarHBondContact CB-O 3.33Å; S1244-L2178 WeakPolarHBondContact O-CD2 3.49Å; S1244-L2178 WeakPolarHBondContact O-CG 3.25Å; S1244-L2178 WeakPolarHBondContact OG-CG 3.32Å; S1244-L2178 PolarHBondContact OG-O 3.22Å; S1244-L2178 VanDerWaalsContact OG-O 3.06Å; S1244-S2181 VanDerWaalsContact CA-OG 3.28Å; S1244-S2181 WeakPolarHBondContact CA-OG 3.36Å; S1244-S2181 VanDerWaalsContact CB-CB 3.4Å; S1244-S2181 VanDerWaalsContact CB-OG 3.23Å; S1244-S2181 WeakPolarHBondContact CB-OG 3.41Å | ||
| 1245 | N | 28.8 | Very low | 30.3 | Very low | 19 Ų | 19 | 52.7 Ų | 52.7 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | 85.8 | 95.5 | 79 | -79.7 | 25.4 | 0 | 0 | 0 | 112.8 | L1491 S2181 | N1245-L1491 VanDerWaalsContact ND2-CB 3.33Å; N1245-L1491 WeakPolarHBondContact ND2-CB 3.1Å; N1245-L1491 PolarHBondContact ND2-N 3.31Å; N1245-L1491 PolarHBondContact ND2-O 2.67Å; N1245-S2181 VanDerWaalsContact ND2-CB 3.32Å; N1245-S2181 WeakPolarHBondContact ND2-CB 3.42Å; N1245-S2181 PolarHBondContact ND2-OG 3.26Å; N1245-S2181 PolarHBondContact OD1-OG 3.43Å | |||
| 1246 | A | 29 | Very low | 31.1 | Very low | 64 Ų | 64 | 46.7 Ų | 46.7 | 53% | 0.529 | 24% | 0.238 | S | C | . | . | trans | -155.4 | 165.3 | 139.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1247 | N | 40 | Very low | 31 | Very low | 56 Ų | 56 | 39.1 Ų | 39.1 | 30% | 0.299 | 21% | 0.21 | S | C | . | . | S | Bend | -164.9 | 155.8 | -69.3 | -117.7 | 9.2 | 0 | 0 | 0 | 105 | S1249 P1250 | N1247-S1249 CarbonylContact C-O 3.57Å; N1247-S1249 CarbonylContact O-C 3.22Å; N1247-P1250 VanDerWaalsContact O-CA 3.23Å; N1247-P1250 WeakPolarHBondContact O-CA 3.37Å | |
| 1248 | F | 28.5 | Very low | 30.9 | Very low | 111 Ų | 111 | 40.3 Ų | 40.3 | 49% | 0.487 | 21% | 0.209 | S | C | . | . | S | Bend | cis | -68.6 | -9.6 | -7 | -49.1 | -83.4 | 0 | 0 | 0 | 117.6 | Y1251 H1252 T1490 | F1248-Y1251 HydrophobicContact CD2-CD1 4.36Å; F1248-Y1251 HydrophobicContact CD2-CE1 4.35Å; F1248-Y1251 HydrophobicContact CE2-CD1 4.46Å; F1248-Y1251 HydrophobicContact CE2-CD2 4.18Å; F1248-Y1251 HydrophobicContact CE2-CE1 4.17Å; F1248-Y1251 AromaticContact CE2-CE2 3.91Å; F1248-Y1251 HydrophobicContact CE2-CE2 3.91Å; F1248-Y1251 HydrophobicContact CE2-CG 4.45Å; F1248-Y1251 AromaticContact CE2-CZ 3.9Å; F1248-H1252 VanDerWaalsContact CB-CE1 3.45Å; F1248-H1252 WeakPolarHBondContact CB-CE1 3.27Å; F1248-H1252 AromaticContact CD2-CE1 3.51Å; F1248-H1252 AromaticContact CD2-ND1 3.72Å; F1248-H1252 AromaticContact CG-CE1 3.66Å; F1248-T1490 VanDerWaalsContact O-CB 3.25Å; F1248-T1490 WeakPolarHBondContact O-CB 3Å; F1248-T1490 WeakPolarHBondContact O-CG2 3.27Å; F1248-T1490 PolarHBondContact O-OG1 3.42Å |
| 1249 | S | 38.2 | Very low | 31.2 | Very low | 9 Ų | 9 | 36.3 Ų | 36.3 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | S | Bend | cis | -44.3 | 159.4 | 7.9 | -39.3 | 0 | 0 | 0 | 0 | 118.4 | N1247 Y1251 H1252 T1490 | N1247-S1249 CarbonylContact C-O 3.57Å; N1247-S1249 CarbonylContact O-C 3.22Å; S1249-Y1251 PolarHBondContact O-N 2.77Å; S1249-H1252 WeakPolarHBondContact O-CA 3.47Å; S1249-H1252 WeakPolarHBondContact O-CB 3.43Å; S1249-T1490 PolarHBondContact N-OG1 3.32Å |
| 1250 | P | 27.9 | Very low | 31.3 | Very low | 90 Ų | 90 | 39.1 Ų | 39.1 | 58% | 0.584 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 130.3 | -176.3 | 21.1 | -33.7 | 0 | 0 | 0 | 111.6 | N1247 H1252 N1253 | N1247-P1250 VanDerWaalsContact O-CA 3.23Å; N1247-P1250 WeakPolarHBondContact O-CA 3.37Å; P1250-H1252 CarbonylContact O-C 3.44Å; P1250-H1252 WeakPolarHBondContact O-CA 3.3Å; P1250-H1252 PolarHBondContact O-N 2.83Å; P1250-N1253 PolarHBondContact O-N 3Å |
| 1251 | Y | 26.3 | Very low | 31.3 | Very low | 79 Ų | 79 | 42.4 Ų | 42.4 | 31% | 0.31 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -36.8 | 109.1 | -137.3 | -122 | -48.2 | 0 | 0 | 0 | 117.6 | F1248 S1249 N1253 N1519 A2382 A2383 A2386 | F1248-Y1251 HydrophobicContact CD2-CD1 4.36Å; F1248-Y1251 HydrophobicContact CD2-CE1 4.35Å; F1248-Y1251 HydrophobicContact CE2-CD1 4.46Å; F1248-Y1251 HydrophobicContact CE2-CD2 4.18Å; F1248-Y1251 HydrophobicContact CE2-CE1 4.17Å; F1248-Y1251 AromaticContact CE2-CE2 3.91Å; F1248-Y1251 HydrophobicContact CE2-CE2 3.91Å; F1248-Y1251 HydrophobicContact CE2-CG 4.45Å; F1248-Y1251 AromaticContact CE2-CZ 3.9Å; S1249-Y1251 PolarHBondContact O-N 2.77Å; Y1251-N1253 PolarHBondContact O-N 3.24Å; Y1251-N1519 WeakPolarHBondContact CD2-ND2 3.3Å; Y1251-A2382 WeakPolarHBondContact CE1-O 3.31Å; Y1251-A2383 VanDerWaalsContact C-CB 3.46Å; Y1251-A2383 HydrophobicContact CD1-CB 3.68Å; Y1251-A2383 HydrophobicContact CG-CB 3.97Å; Y1251-A2383 WeakPolarHBondContact O-CB 3.28Å; Y1251-A2386 HydrophobicContact CD1-CB 4.4Å; Y1251-A2386 HydrophobicContact CD2-CB 3.89Å; Y1251-A2386 HydrophobicContact CE1-CB 4.1Å; Y1251-A2386 HydrophobicContact CE2-CB 3.51Å; Y1251-A2386 HydrophobicContact CG-CB 4.32Å |
| 1252 | H | 47.6 | Very low | 31.6 | Very low | 40 Ų | 40 | 42.7 Ų | 42.7 | 19% | 0.185 | 22% | 0.224 | C | C | . | . | S | Bend | -84.4 | 19.7 | -70.3 | -49.3 | 0.3 | 0 | 0 | 0 | 112.2 | F1248 S1249 P1250 R2379 | F1248-H1252 VanDerWaalsContact CB-CE1 3.45Å; F1248-H1252 WeakPolarHBondContact CB-CE1 3.27Å; F1248-H1252 AromaticContact CD2-CE1 3.51Å; F1248-H1252 AromaticContact CD2-ND1 3.72Å; F1248-H1252 AromaticContact CG-CE1 3.66Å; S1249-H1252 WeakPolarHBondContact O-CA 3.47Å; S1249-H1252 WeakPolarHBondContact O-CB 3.43Å; P1250-H1252 CarbonylContact O-C 3.44Å; P1250-H1252 WeakPolarHBondContact O-CA 3.3Å; P1250-H1252 PolarHBondContact O-N 2.83Å; H1252-R2379 HydrophobicContact CB-CB 3.88Å; H1252-R2379 HydrophobicContact CB-CG 3.83Å | |
| 1253 | N | 41.4 | Very low | 31.4 | Very low | 17 Ų | 17 | 46.6 Ų | 46.6 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | trans | -136.4 | 116 | -138.8 | -92.3 | 11.5 | 0 | 0 | 0 | 117.7 | P1250 Y1251 H2376 R2379 L2380 | P1250-N1253 PolarHBondContact O-N 3Å; Y1251-N1253 PolarHBondContact O-N 3.24Å; N1253-H2376 WeakPolarHBondContact ND2-CA 3.43Å; N1253-H2376 WeakPolarHBondContact ND2-CB 3.38Å; N1253-H2376 PolarHBondContact ND2-ND1 3.04Å; N1253-H2376 PolarHBondContact ND2-O 3.44Å; N1253-H2376 VanDerWaalsContact ND2-O 3.14Å; N1253-H2376 PolarHBondContact OD1-ND1 2.52Å; N1253-R2379 VanDerWaalsContact CG-CB 3.49Å; N1253-R2379 WeakPolarHBondContact OD1-CB 3.31Å; N1253-R2379 WeakPolarHBondContact OD1-CD 3.34Å; N1253-L2380 HydrophobicContact CB-CB 4.47Å; N1253-L2380 WeakPolarHBondContact ND2-CB 3.33Å; N1253-L2380 PolarHBondContact ND2-N 3.46Å | ||
| 1254 | N | 28.5 | Very low | 32.1 | Very low | 45 Ų | 45 | 49.6 Ų | 49.6 | 24% | 0.241 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -156.8 | 140.1 | 131.8 | -74.3 | -69.8 | 0 | 0 | 0 | 108.5 | N1107 N1108 N1109 N1486 H2376 | N1107-N1254 WeakPolarHBondContact CA-ND2 3.03Å; N1108-N1254 PolarHBondContact N-ND2 3.04Å; N1108-N1254 WeakPolarHBondContact O-CB 3.35Å; N1108-N1254 VanDerWaalsContact O-CG 3.22Å; N1108-N1254 PolarHBondContact O-OD1 2.69Å; N1109-N1254 PolarHBondContact N-OD1 2.98Å; N1109-N1254 PolarHBondContact O-OD1 3.41Å; N1254-N1486 WeakPolarHBondContact O-CA 3.38Å; N1254-N1486 PolarHBondContact O-N 3.17Å; N1254-N1486 PolarHBondContact O-OD1 2.87Å; N1254-N1486 VanDerWaalsContact O-OD1 3.07Å; N1254-H2376 PolarHBondContact N-CE1 3.33Å; N1254-H2376 PolarHBondContact O-CE1 3.24Å |
| 1255 | T | 24.1 | Very low | 32.6 | Very low | 17 Ų | 17 | 54.3 Ų | 54.3 | 10% | 0.104 | 29% | 0.287 | C | S | . | . | cis | -146.3 | 117.2 | -31.6 | 11 | 0 | 0 | 0 | 0 | 115.8 | N1108 N1109 N1486 A1506 H2376 | N1108-T1255 PolarHBondContact O-OG1 2.88Å; N1108-T1255 VanDerWaalsContact O-OG1 3.05Å; N1109-T1255 HydrophobicContact CB-CG2 3.35Å; N1109-T1255 VanDerWaalsContact CB-OG1 3.26Å; N1109-T1255 WeakPolarHBondContact CB-OG1 3.37Å; N1109-T1255 PolarHBondContact ND2-OG1 3.41Å; N1109-T1255 WeakPolarHBondContact O-CG2 3.12Å; T1255-N1486 VanDerWaalsContact N-CG 3.33Å; T1255-N1486 PolarHBondContact N-OD1 2.94Å; T1255-N1486 PolarHBondContact O-ND2 3.12Å; T1255-A1506 WeakPolarHBondContact CG2-O 3.21Å; T1255-H2376 VanDerWaalsContact CA-CE1 3.48Å; T1255-H2376 WeakPolarHBondContact CA-CE1 3.31Å; T1255-H2376 PolarHBondContact N-CE1 2.81Å | ||
| 1256 | S | 37.8 | Very low | 32.8 | Very low | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.014 | 30% | 0.296 | C | S | . | . | 21.4 | 142.9 | 117.7 | -142.5 | 0 | 0 | 0 | 0 | 123.2 | N1486 P1505 A1506 E2372 L2373 H2376 | S1256-N1486 PolarHBondContact N-ND2 2.71Å; S1256-P1505 WeakPolarHBondContact OG-CA 3.34Å; S1256-A1506 VanDerWaalsContact CB-N 3.29Å; S1256-A1506 VanDerWaalsContact CB-O 3.29Å; S1256-A1506 WeakPolarHBondContact CB-O 3.22Å; S1256-A1506 PolarHBondContact OG-N 2.89Å; S1256-E2372 WeakPolarHBondContact CA-O 3.45Å; S1256-E2372 PolarHBondContact OG-O 2.79Å; S1256-L2373 WeakPolarHBondContact OG-CA 3.14Å; S1256-L2373 PolarHBondContact OG-O 2.77Å; S1256-H2376 PolarHBondContact N-CD2 3.24Å; S1256-H2376 VanDerWaalsContact N-CD2 3.34Å; S1256-H2376 WeakPolarHBondContact OG-CB 3.21Å | |||
| 1257 | R | 25.8 | Very low | 32.8 | Very low | 32 Ų | 32 | 62.9 Ų | 62.9 | 12% | 0.121 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 59.2 | -153.2 | 156.5 | -152.9 | 139.1 | 74.1 | 133.7 | -179.7 | 108.8 | N1112 D1113 K1114 P1505 A1506 N1507 S2369 L2373 | N1112-R1257 PolarHBondContact OD1-NH1 3.21Å; D1113-R1257 WeakPolarHBondContact O-CD 3.27Å; D1113-R1257 WeakPolarHBondContact O-CG 3.3Å; D1113-R1257 PolarHBondContact O-NE 2.95Å; D1113-R1257 PolarHBondContact O-NH2 3.01Å; D1113-R1257 IonicContact OD2-CZ 2.62Å; D1113-R1257 IonicContact OD2-NH1 2.64Å; D1113-R1257 IonicContact OD2-NH2 3.14Å; D1113-R1257 PolarHBondContact OD2-NH2 3.43Å; K1114-R1257 WeakPolarHBondContact O-CG 2.8Å; R1257-P1505 HydrophobicContact CB-CB 4.37Å; R1257-P1505 HydrophobicContact CG-CB 4.44Å; R1257-A1506 VanDerWaalsContact CB-CA 3.44Å; R1257-A1506 VanDerWaalsContact CB-N 3.34Å; R1257-N1507 VanDerWaalsContact CB-OD1 3.23Å; R1257-N1507 WeakPolarHBondContact CB-OD1 3.38Å; R1257-N1507 VanDerWaalsContact CG-ND2 3.34Å; R1257-N1507 WeakPolarHBondContact CG-ND2 3.24Å; R1257-N1507 WeakPolarHBondContact CG-OD1 3.15Å; R1257-N1507 VanDerWaalsContact CZ-ND2 3.3Å; R1257-N1507 PolarHBondContact NE-ND2 2.89Å; R1257-S2369 PolarHBondContact O-OG 2.84Å; R1257-L2373 HydrophobicContact CB-CB 4.34Å; R1257-L2373 HydrophobicContact CB-CD1 4.11Å; R1257-L2373 HydrophobicContact CB-CG 3.78Å; R1257-L2373 HydrophobicContact CG-CD1 3.56Å; R1257-L2373 HydrophobicContact CG-CD2 4.48Å; R1257-L2373 HydrophobicContact CG-CG 3.6Å |
| 1258 | R | 25.3 | Very low | 32.3 | Very low | 60 Ų | 60 | 65.4 Ų | 65.4 | 23% | 0.226 | 33% | 0.328 | C | S | . | . | trans | -75 | 149.8 | -147 | -120.6 | -176.7 | -172 | 157.2 | 15.8 | 115.9 | K1114 N1115 L1116 N1507 E1508 R1509 | K1114-R1258 VanDerWaalsContact C-CD 3.45Å; K1114-R1258 WeakPolarHBondContact O-CB 3.43Å; K1114-R1258 WeakPolarHBondContact O-CG 3.41Å; N1115-R1258 PolarHBondContact O-NE 2.75Å; N1115-R1258 PolarHBondContact O-NH2 2.79Å; L1116-R1258 WeakPolarHBondContact O-CA 3.07Å; R1258-N1507 PolarHBondContact N-OD1 2.83Å; R1258-E1508 HydrophobicContact CB-CG 3.32Å; R1258-E1508 WeakPolarHBondContact CB-OE1 3.44Å; R1258-E1508 WeakPolarHBondContact CD-OE1 2.82Å; R1258-R1509 VanDerWaalsContact NH1-NH1 3.15Å | ||
| 1259 | F | 28.3 | Very low | 32.1 | Very low | 26 Ų | 26 | 68.7 Ų | 68.7 | 11% | 0.114 | 34% | 0.344 | C | S | . | . | 18.3 | 123.9 | 125.5 | -64.7 | -24.4 | 0 | 0 | 0 | 116.1 | L1116 R1261 E1508 R1509 T2366 | L1116-F1259 HydrophobicContact CB-CD1 4.15Å; L1116-F1259 HydrophobicContact CB-CD2 4.27Å; L1116-F1259 HydrophobicContact CB-CE1 3.56Å; L1116-F1259 HydrophobicContact CB-CE2 3.68Å; L1116-F1259 HydrophobicContact CB-CG 4.49Å; L1116-F1259 HydrophobicContact CB-CZ 3.29Å; L1116-F1259 HydrophobicContact CD1-CE2 3.79Å; L1116-F1259 HydrophobicContact CD1-CZ 3.52Å; L1116-F1259 HydrophobicContact CG-CE2 4.36Å; L1116-F1259 HydrophobicContact CG-CZ 4.03Å; L1116-F1259 VanDerWaalsContact O-CD1 3.25Å; L1116-F1259 WeakPolarHBondContact O-CD1 3.16Å; L1116-F1259 PolarHBondContact O-N 3.49Å; L1116-F1259 VanDerWaalsContact O-N 3.09Å; F1259-R1261 HydrophobicContact CD1-CG 3.86Å; F1259-R1261 HydrophobicContact CE1-CG 4.28Å; F1259-R1261 HydrophobicContact CG-CG 4.46Å; F1259-E1508 CarbonylContact O-C 3.12Å; F1259-R1509 PolarHBondContact O-N 2.95Å; F1259-T2366 WeakPolarHBondContact CD1-OG1 3.35Å; F1259-T2366 HydrophobicContact CE1-CG2 3.88Å; F1259-T2366 WeakPolarHBondContact CE1-O 3.45Å; F1259-T2366 VanDerWaalsContact CE1-OG1 3.31Å; F1259-T2366 WeakPolarHBondContact CE1-OG1 3.16Å | |||
| 1260 | S | 29.7 | Very low | 31.5 | Very low | 99 Ų | 99 | 75.5 Ų | 75.5 | 69% | 0.692 | 38% | 0.375 | S | S | * | . | S | Bend | cis | -125.5 | 84.9 | 44.7 | -61.3 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1261 | R | 33.7 | Very low | 31.3 | Very low | 123 Ų | 123 | 79.1 Ų | 79.1 | 46% | 0.464 | 38% | 0.384 | S | S | . | . | 77.3 | 171.5 | 129.9 | -61.7 | -143.9 | 153.9 | 157.1 | -6.3 | 117.6 | F1259 H1263 T2366 | F1259-R1261 HydrophobicContact CD1-CG 3.86Å; F1259-R1261 HydrophobicContact CE1-CG 4.28Å; F1259-R1261 HydrophobicContact CG-CG 4.46Å; R1261-H1263 PolarHBondContact NH2-NE2 2.77Å; R1261-T2366 VanDerWaalsContact CA-OG1 3.26Å; R1261-T2366 WeakPolarHBondContact CA-OG1 3.34Å; R1261-T2366 WeakPolarHBondContact CB-OG1 3.5Å; R1261-T2366 WeakPolarHBondContact CD-OG1 3.46Å; R1261-T2366 WeakPolarHBondContact CG-OG1 3.46Å | |||
| 1262 | G | 31.4 | Very low | 31 | Very low | 6 Ų | 6 | 77.8 Ų | 77.8 | 6% | 0.062 | 38% | 0.382 | C | S | . | . | cis | 122 | 125 | -47.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | L1118 D2362 T2366 | L1118-G1262 WeakPolarHBondContact O-CA 2.8Å; G1262-D2362 CarbonylContact C-O 3.59Å; G1262-D2362 WeakPolarHBondContact CA-O 2.87Å; G1262-D2362 VanDerWaalsContact N-CB 3.34Å; G1262-D2362 PolarHBondContact N-OD1 2.9Å; G1262-T2366 VanDerWaalsContact C-OG1 3.25Å; G1262-T2366 WeakPolarHBondContact CA-OG1 3.4Å; G1262-T2366 WeakPolarHBondContact O-CB 3.41Å; G1262-T2366 VanDerWaalsContact O-CG2 3.23Å; G1262-T2366 WeakPolarHBondContact O-CG2 3.48Å; G1262-T2366 PolarHBondContact O-OG1 2.74Å | ||
| 1263 | H | 34 | Very low | 30 | Very low | 82 Ų | 82 | 78 Ų | 78 | 38% | 0.38 | 38% | 0.382 | S | S | . | . | trans | -156.6 | -161.3 | 148.1 | -113.5 | -53.9 | 0 | 0 | 0 | 116.4 | L1118 R1261 D2362 E2363 T2366 | L1118-H1263 WeakPolarHBondContact CB-O 3.28Å; L1118-H1263 VanDerWaalsContact CD2-O 3.3Å; L1118-H1263 WeakPolarHBondContact CD2-O 3.16Å; L1118-H1263 WeakPolarHBondContact CG-O 3.38Å; R1261-H1263 PolarHBondContact NH2-NE2 2.77Å; H1263-D2362 PolarHBondContact N-O 2.85Å; H1263-E2363 WeakPolarHBondContact O-CA 3.41Å; H1263-E2363 WeakPolarHBondContact O-CB 3.48Å; H1263-E2363 WeakPolarHBondContact O-CG 3.15Å; H1263-E2363 PolarHBondContact O-N 3.4Å; H1263-T2366 HydrophobicContact CB-CG2 4.31Å; H1263-T2366 WeakPolarHBondContact CE1-CG2 3.24Å; H1263-T2366 VanDerWaalsContact ND1-CG2 3.27Å; H1263-T2366 WeakPolarHBondContact ND1-CG2 3.12Å; H1263-T2366 WeakPolarHBondContact NE2-CG2 3.24Å | ||
| 1264 | S | 40.5 | Very low | 29.3 | Very low | 63 Ų | 63 | 79.8 Ų | 79.8 | 44% | 0.441 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -48.9 | 127.8 | -139.3 | -150.6 | 0 | 0 | 0 | 0 | 126.5 | E2363 | S1264-E2363 VanDerWaalsContact C-CB 3.49Å; S1264-E2363 VanDerWaalsContact C-CD 3.46Å; S1264-E2363 WeakPolarHBondContact CA-OE1 3.15Å; S1264-E2363 PolarHBondContact N-OE1 3.42Å; S1264-E2363 WeakPolarHBondContact O-CB 3.38Å; S1264-E2363 WeakPolarHBondContact O-CG 3.22Å |
| 1265 | L | 38.1 | Very low | 29.3 | Very low | 100 Ų | 100 | 81 Ų | 81 | 52% | 0.524 | 40% | 0.402 | S | S | . | . | trans | 90.8 | 117.6 | 161.5 | -45.6 | 179.9 | 0 | 0 | 0 | 120 | L2360 E2363 | L1265-L2360 WeakPolarHBondContact O-CD2 3.12Å; L1265-E2363 CarbonylContact C-O 3.55Å; L1265-E2363 WeakPolarHBondContact O-CB 3.36Å | ||
| 1266 | D | 33 | Very low | 29.6 | Very low | 55 Ų | 55 | 85.1 Ų | 85.1 | 29% | 0.294 | 43% | 0.427 | S | S | . | . | 76.2 | 132 | 53 | -63.6 | -56.4 | 0 | 0 | 0 | 113 | E2363 | D1266-E2363 PolarHBondContact N-O 2.66Š| |||
| 1267 | Y | 28 | Very low | 29.2 | Very low | 208 Ų | 208 | 91.5 Ų | 91.5 | 82% | 0.816 | 46% | 0.46 | S | S | * | . | 72.9 | 167.2 | 79.1 | -139.8 | -100.3 | 0 | 0 | 0 | 111.8 | |||||
| 1268 | T | 29.8 | Very low | 29.8 | Very low | 110 Ų | 110 | 100.7 Ų | 100.7 | 68% | 0.675 | 50% | 0.495 | S | S | * | . | trans | 64.7 | 120.4 | 178 | 70 | 0 | 0 | 0 | 0 | 118 | ||||
| 1269 | H | 25.7 | Very low | 30.8 | Very low | 179 Ų | 179 | 105.9 Ų | 105.9 | 83% | 0.829 | 53% | 0.527 | S | S | * | . | cis | 56.5 | 122.1 | -0.4 | -115.2 | -74.7 | 0 | 0 | 0 | 117.1 | ||||
| 1270 | Q | 25.6 | Very low | 31.8 | Very low | 153 Ų | 153 | 109.7 Ų | 109.7 | 72% | 0.715 | 56% | 0.557 | S | S | * | * | trans | 58.8 | 87.2 | -173.6 | -59.2 | 177.2 | -5.7 | 0 | 0 | 110.4 | ||||
| 1271 | H | 22.7 | Very low | 33 | Very low | 166 Ų | 166 | 110.7 Ų | 110.7 | 77% | 0.769 | 56% | 0.559 | S | S | * | * | S | Bend | 29.2 | 87.1 | 66.7 | -169.9 | -88.9 | 0 | 0 | 0 | 109.9 | |||
| 1272 | L | 20.8 | Very low | 33.9 | Very low | 50 Ų | 50 | 111.2 Ų | 111.2 | 26% | 0.262 | 58% | 0.576 | S | S | . | * | trans | 77.5 | 93 | 167.7 | -58.8 | 179.5 | 0 | 0 | 0 | 118.2 | L1723 | L1272-L1723 HydrophobicContact CD1-CD2 4.49Š| ||
| 1273 | K | 26.3 | Very low | 34.6 | Very low | 44 Ų | 44 | 115.8 Ų | 115.8 | 19% | 0.191 | 61% | 0.608 | C | S | . | * | 122.2 | 122 | 108.8 | -67.4 | 153.4 | -179.4 | 171.8 | 0 | 123.4 | L1723 T1726 K1727 V1730 | K1273-L1723 HydrophobicContact CD-CB 4.4Å; K1273-L1723 HydrophobicContact CD-CG 4.03Å; K1273-L1723 WeakPolarHBondContact CD-O 3.49Å; K1273-L1723 WeakPolarHBondContact CE-O 3.43Å; K1273-L1723 VanDerWaalsContact NZ-CG 3.34Å; K1273-L1723 PolarHBondContact NZ-O 3.03Å; K1273-T1726 VanDerWaalsContact CB-CB 3.47Å; K1273-T1726 VanDerWaalsContact CB-O 3.25Å; K1273-T1726 WeakPolarHBondContact CB-O 3.39Å; K1273-T1726 VanDerWaalsContact CB-OG1 3.3Å; K1273-T1726 WeakPolarHBondContact CB-OG1 3.31Å; K1273-T1726 VanDerWaalsContact CD-C 3.41Å; K1273-T1726 VanDerWaalsContact CD-OG1 3.28Å; K1273-T1726 WeakPolarHBondContact CD-OG1 3.32Å; K1273-T1726 VanDerWaalsContact CG-C 3.41Å; K1273-T1726 WeakPolarHBondContact CG-O 3.22Å; K1273-K1727 HydrophobicContact CD-CB 4.29Å; K1273-K1727 VanDerWaalsContact CE-CA 3.5Å; K1273-K1727 VanDerWaalsContact CE-CB 3.45Å; K1273-V1730 HydrophobicContact CB-CG2 4.48Å; K1273-V1730 HydrophobicContact CG-CB 4.16Å; K1273-V1730 HydrophobicContact CG-CG1 4.25Å; K1273-V1730 HydrophobicContact CG-CG2 4.41Å | |||
| 1274 | Q | 27 | Very low | 35 | Very low | 55 Ų | 55 | 118.7 Ų | 118.7 | 26% | 0.257 | 63% | 0.625 | S | S | . | * | 85.2 | 138.4 | 129.8 | -132.7 | -170.5 | 73.3 | 0 | 0 | 125.9 | K1725 T1726 Q1729 | Q1274-K1725 PolarHBondContact NE2-O 3.29Å; Q1274-T1726 HydrophobicContact CB-CG2 3.99Å; Q1274-T1726 VanDerWaalsContact CB-O 3.23Å; Q1274-T1726 WeakPolarHBondContact CB-O 3.33Å; Q1274-T1726 VanDerWaalsContact CD-O 3.22Å; Q1274-T1726 VanDerWaalsContact CG-O 3.27Å; Q1274-T1726 WeakPolarHBondContact CG-O 3.43Å; Q1274-T1726 PolarHBondContact NE2-O 2.91Å; Q1274-Q1729 HydrophobicContact CG-CB 3.27Å; Q1274-Q1729 HydrophobicContact CG-CG 4.37Å; Q1274-Q1729 VanDerWaalsContact NE2-CB 3.29Å | |||
| 1275 | S | 27.9 | Very low | 34.9 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | 107.6 | 126.3 | 129.4 | 77 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1276 | V | 30.2 | Very low | 34.7 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 63% | 0.63 | 64% | 0.639 | S | S | * | * | trans | 77 | 90 | 142.4 | 174.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1277 | L | 30.5 | Very low | 34.7 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 71% | 0.712 | 66% | 0.658 | S | S | * | * | 74.3 | 107.2 | 123.9 | -77.7 | 150.6 | 0 | 0 | 0 | 127.2 | |||||
| 1278 | R | 38.2 | Very low | 34.8 | Very low | 224 Ų | 224 | 123.2 Ų | 123.2 | 85% | 0.845 | 66% | 0.656 | S | S | * | * | 129.3 | 0 | 127.6 | -68.5 | 160.8 | 170 | -179.2 | -3.9 | 124.2 | |||||
| 1279 | N | 46 | Very low | 34.6 | Very low | 170 Ų | 170 | 125.3 Ų | 125.3 | 91% | 0.909 | 66% | 0.659 | S | S | * | * | 0 | 0 | 0 | -74.2 | -15.3 | 0 | 0 | 0 | 120.3 | |||||
| 1280 | S | 49.5 | Very low | 34.5 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 74% | 0.741 | 65% | 0.649 | S | S | * | * | 0 | 0 | 0 | 58 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1281 | T | 54.2 | Low | 34.3 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 73% | 0.73 | 64% | 0.635 | S | S | * | * | 0 | 0 | 0 | 41.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1282 | T | 52.4 | Low | 34.4 | Very low | 134 Ų | 134 | 118.2 Ų | 118.2 | 82% | 0.822 | 62% | 0.624 | S | S | * | * | 0 | 0 | 0 | 42.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1283 | S | 46.1 | Very low | 34.7 | Very low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 65% | 0.648 | S | S | * | * | 0 | 0 | 0 | 54.6 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1284 | L | 41.7 | Very low | 34.8 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 75% | 0.749 | 68% | 0.679 | S | S | * | * | 0 | 0 | 0 | -55.7 | -177.9 | 0 | 0 | 0 | 124.3 | |||||
| 1285 | L | 38.4 | Very low | 34.5 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 63% | 0.628 | 70% | 0.7 | S | S | * | * | 0 | 0 | 0 | -75.6 | 164.2 | 0 | 0 | 0 | 112.1 | L997 | L997-L1285 VanDerWaalsContact CD1-C 3.47Å; L997-L1285 VanDerWaalsContact CD1-N 3.33Å | |||
| 1286 | N | 34.2 | Very low | 34.4 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 62% | 0.62 | 72% | 0.721 | S | S | * | * | 0 | 0 | 0 | -102.9 | 48.8 | 0 | 0 | 0 | 113 | |||||
| 1287 | D | 34.2 | Very low | 34.8 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | 0 | 0 | 0 | -88.8 | -36 | 0 | 0 | 0 | 113.8 | |||||
| 1288 | I | 30.3 | Very low | 35.6 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | 0 | 0 | 0 | -100.6 | 169.7 | 0 | 0 | 0 | 119.8 | |||||
| 1289 | E | 24.6 | Very low | 37 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | 0 | 0 | 0 | -50 | -178 | 79.8 | 0 | 0 | 122.2 | |||||
| 1290 | Y | 24.3 | Very low | 37.8 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 62% | 0.624 | 72% | 0.718 | S | S | * | * | 0 | 0 | 0 | -161.6 | -99.7 | 0 | 0 | 0 | 120.8 | V48 | V48-Y1290 WeakPolarHBondContact CG1-O 3.45Š| |||
| 1291 | H | 21.5 | Very low | 37.9 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 43% | 0.426 | 72% | 0.722 | S | S | . | * | 0 | 0 | 0 | -134.9 | 4.5 | 0 | 0 | 0 | 130.2 | |||||
| 1292 | D | 23.3 | Very low | 38.3 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 52% | 0.524 | 72% | 0.718 | S | S | . | * | 0 | 0 | 0 | -50.8 | -98.4 | 0 | 0 | 0 | 120.6 | Y51 | Y51-D1292 WeakPolarHBondContact CD1-O 2.8Š| |||
| 1293 | I | 29 | Very low | 39.1 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | 0 | 0 | 0 | -158.7 | 166.8 | 0 | 0 | 0 | 116.4 | |||||
| 1294 | D | 26.6 | Very low | 39.8 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 85% | 0.85 | 70% | 0.701 | S | S | * | * | 0 | 0 | 0 | -151.1 | 41.3 | 0 | 0 | 0 | 122.6 | |||||
| 1295 | P | 21.6 | Very low | 40.6 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | 0 | 0 | 0 | 45.6 | -29 | 0 | 0 | 0 | 124.8 | |||||
| 1296 | T | 25.5 | Very low | 41.9 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 93% | 0.933 | 69% | 0.693 | S | S | * | * | 0 | 0 | 0 | -33.4 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1297 | S | 38.6 | Very low | 43.8 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | 0 | -149.5 | 0 | -155.7 | 0 | 0 | 0 | 0 | 125.3 | T1299 | S1297-T1299 PolarHBondContact O-OG1 2.74Š| |||
| 1298 | E | 47.2 | Very low | 45.3 | Very low | 188 Ų | 188 | 130 Ų | 130 | 88% | 0.879 | 69% | 0.685 | S | S | * | * | trans | -58.8 | 61.3 | -163.3 | -163.3 | -175.9 | -169.5 | 0 | 0 | 124.6 | ||||
| 1299 | T | 66.9 | Low | 47.3 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 61% | 0.613 | 68% | 0.68 | S | S | * | * | trans | -90.8 | -18.8 | -147.7 | -22.6 | 0 | 0 | 0 | 0 | 122.3 | S1297 | S1297-T1299 PolarHBondContact O-OG1 2.74Š| ||
| 1300 | K | 62.7 | Low | 49.3 | Very low | 184 Ų | 184 | 126.9 Ų | 126.9 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -81 | -37.1 | -150.7 | -71.7 | -175.5 | 178.3 | 179.2 | 0 | 118.6 | I1302 I1303 | K1300-I1302 VanDerWaalsContact C-N 3.35Å; K1300-I1302 PolarHBondContact O-N 2.98Å; K1300-I1303 WeakPolarHBondContact O-CG1 3.35Å; K1300-I1303 PolarHBondContact O-N 3.28Å |
| 1301 | A | 52.7 | Low | 51.5 | Low | 98 Ų | 98 | 121.4 Ų | 121.4 | 81% | 0.81 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -23.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1303 | A1301-I1303 PolarHBondContact O-N 2.78Š|
| 1302 | I | 62.5 | Low | 53.7 | Low | 129 Ų | 129 | 124 Ų | 124 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -63.2 | -24.2 | 179.2 | -64.3 | 171.8 | 0 | 0 | 0 | 111.9 | K1300 T1306 | K1300-I1302 VanDerWaalsContact C-N 3.35Å; K1300-I1302 PolarHBondContact O-N 2.98Å; I1302-T1306 PolarHBondContact O-OG1 3.29Å |
| 1303 | I | 69.3 | Low | 56.1 | Low | 93 Ų | 93 | 127.2 Ų | 127.2 | 48% | 0.477 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -65.2 | -54.1 | -169.4 | -57.7 | 173.4 | 0 | 0 | 0 | 111.7 | K1300 A1301 L1305 T1306 D1307 | K1300-I1303 WeakPolarHBondContact O-CG1 3.35Å; K1300-I1303 PolarHBondContact O-N 3.28Å; A1301-I1303 PolarHBondContact O-N 2.78Å; I1303-L1305 PolarHBondContact O-N 2.86Å; I1303-T1306 WeakPolarHBondContact O-CA 3.28Å; I1303-T1306 WeakPolarHBondContact O-CB 3.2Å; I1303-T1306 PolarHBondContact O-N 2.74Å; I1303-D1307 PolarHBondContact O-N 2.53Å |
| 1304 | H | 60.7 | Low | 57.8 | Low | 153 Ų | 153 | 122.9 Ų | 122.9 | 71% | 0.708 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71 | -26.8 | -163.9 | -151.6 | -44.4 | 0 | 0 | 0 | 114.7 | T1306 | H1304-T1306 VanDerWaalsContact C-N 3.33Å |
| 1305 | L | 59.4 | Low | 59.9 | Low | 144 Ų | 144 | 117.2 Ų | 117.2 | 75% | 0.754 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -78.1 | -18.9 | 170.2 | -87.9 | 168.1 | 0 | 0 | 0 | 112.8 | I1303 D1307 | I1303-L1305 PolarHBondContact O-N 2.86Å; L1305-D1307 VanDerWaalsContact C-N 3.31Å |
| 1306 | T | 65.6 | Low | 62.4 | Low | 73 Ų | 73 | 116.9 Ų | 116.9 | 45% | 0.448 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -68.7 | -33.8 | 171.1 | -55.2 | 0 | 0 | 0 | 0 | 110.4 | I1302 I1303 H1304 F1310 | I1302-T1306 PolarHBondContact O-OG1 3.29Å; I1303-T1306 WeakPolarHBondContact O-CA 3.28Å; I1303-T1306 WeakPolarHBondContact O-CB 3.2Å; I1303-T1306 PolarHBondContact O-N 2.74Å; H1304-T1306 VanDerWaalsContact C-N 3.33Å; T1306-F1310 WeakPolarHBondContact O-CB 3.17Å; T1306-F1310 PolarHBondContact O-N 3.06Å |
| 1307 | D | 73.2 | Confident | 64.6 | Low | 77 Ų | 77 | 115.1 Ų | 115.1 | 41% | 0.412 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.9 | -40.9 | -170.2 | -65.5 | -43 | 0 | 0 | 0 | 115 | I1303 L1305 F1310 G1311 | I1303-D1307 PolarHBondContact O-N 2.53Å; L1305-D1307 VanDerWaalsContact C-N 3.31Å; D1307-F1310 CarbonylContact O-C 3.59Å; D1307-F1310 WeakPolarHBondContact O-CB 3.42Å; D1307-F1310 PolarHBondContact O-N 2.72Å; D1307-G1311 PolarHBondContact O-N 3.29Å |
| 1308 | E | 65.4 | Low | 66.3 | Low | 160 Ų | 160 | 117.6 Ų | 117.6 | 75% | 0.748 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.5 | -39.2 | 176.1 | -70.1 | -156 | 154.8 | 0 | 0 | 112.3 | F1310 G1311 L1312 | E1308-F1310 PolarHBondContact O-N 2.68Å; E1308-G1311 PolarHBondContact O-N 2.82Å; E1308-G1311 VanDerWaalsContact O-N 3.14Å; E1308-L1312 PolarHBondContact O-N 2.76Å; E1308-L1312 VanDerWaalsContact O-N 3.13Å |
| 1309 | L | 71.7 | Confident | 67.4 | Low | 128 Ų | 128 | 112.5 Ų | 112.5 | 67% | 0.67 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58.6 | -40.9 | 169.3 | -73.4 | 174.7 | 0 | 0 | 0 | 110.5 | R1313 | L1309-R1313 WeakPolarHBondContact O-CB 3.28Å; L1309-R1313 PolarHBondContact O-N 2.62Å |
| 1310 | F | 68.3 | Low | 67.9 | Low | 114 Ų | 114 | 113.6 Ų | 113.6 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.5 | -35.6 | 175.4 | -177.6 | -111.9 | 0 | 0 | 0 | 112.2 | T1306 D1307 E1308 Q1314 | T1306-F1310 WeakPolarHBondContact O-CB 3.17Å; T1306-F1310 PolarHBondContact O-N 3.06Å; D1307-F1310 CarbonylContact O-C 3.59Å; D1307-F1310 WeakPolarHBondContact O-CB 3.42Å; D1307-F1310 PolarHBondContact O-N 2.72Å; E1308-F1310 PolarHBondContact O-N 2.68Å; F1310-Q1314 HydrophobicContact CZ-CG 4.49Å; F1310-Q1314 VanDerWaalsContact O-CB 3.26Å; F1310-Q1314 WeakPolarHBondContact O-CB 3.21Å; F1310-Q1314 WeakPolarHBondContact O-CG 3.47Å; F1310-Q1314 PolarHBondContact O-N 2.67Å |
| 1311 | G | 69.8 | Low | 68.1 | Low | 44 Ų | 44 | 108.5 Ų | 108.5 | 45% | 0.454 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.1 | -56.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1307 E1308 Q1314 G1315 | D1307-G1311 PolarHBondContact O-N 3.29Å; E1308-G1311 PolarHBondContact O-N 2.82Å; E1308-G1311 VanDerWaalsContact O-N 3.14Å; G1311-Q1314 WeakPolarHBondContact O-CB 3.11Å; G1311-Q1314 PolarHBondContact O-N 3.04Å; G1311-G1315 PolarHBondContact O-N 2.76Å |
| 1312 | L | 68.3 | Low | 69 | Low | 145 Ų | 145 | 105.9 Ų | 105.9 | 76% | 0.759 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.4 | -40.2 | 176.4 | -82 | 170.1 | 0 | 0 | 0 | 112 | E1308 Q1314 G1315 L1316 | E1308-L1312 PolarHBondContact O-N 2.76Å; E1308-L1312 VanDerWaalsContact O-N 3.13Å; L1312-Q1314 VanDerWaalsContact C-N 3.26Å; L1312-Q1314 PolarHBondContact O-N 3.23Å; L1312-G1315 PolarHBondContact O-N 2.87Å; L1312-L1316 WeakPolarHBondContact O-CB 3.43Å; L1312-L1316 PolarHBondContact O-N 2.86Å |
| 1313 | R | 72.3 | Confident | 69.6 | Low | 166 Ų | 166 | 104.7 Ų | 104.7 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -32.6 | 175 | -160.7 | 175.7 | -158.9 | -166.3 | 7.2 | 110.9 | E229 L1309 K1317 | E229-R1313 IonicContact OE1-NH2 3.42Å; E229-R1313 PolarHBondContact OE1-NH2 3.5Å; L1309-R1313 WeakPolarHBondContact O-CB 3.28Å; L1309-R1313 PolarHBondContact O-N 2.62Å; R1313-K1317 WeakPolarHBondContact O-CA 3.26Å; R1313-K1317 WeakPolarHBondContact O-CB 3.3Å; R1313-K1317 PolarHBondContact O-N 3.37Å |
| 1314 | Q | 65.4 | Low | 69.7 | Low | 59 Ų | 59 | 103.2 Ų | 103.2 | 28% | 0.276 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.8 | -45.3 | 170.9 | -85.9 | -155.1 | 41.7 | 0 | 0 | 113 | F1310 G1311 L1312 L1316 K1317 R1318 | F1310-Q1314 HydrophobicContact CZ-CG 4.49Å; F1310-Q1314 VanDerWaalsContact O-CB 3.26Å; F1310-Q1314 WeakPolarHBondContact O-CB 3.21Å; F1310-Q1314 WeakPolarHBondContact O-CG 3.47Å; F1310-Q1314 PolarHBondContact O-N 2.67Å; G1311-Q1314 WeakPolarHBondContact O-CB 3.11Å; G1311-Q1314 PolarHBondContact O-N 3.04Å; L1312-Q1314 VanDerWaalsContact C-N 3.26Å; L1312-Q1314 PolarHBondContact O-N 3.23Å; Q1314-L1316 VanDerWaalsContact C-N 3.35Å; Q1314-L1316 PolarHBondContact O-N 3.02Å; Q1314-K1317 PolarHBondContact O-N 3.03Å; Q1314-R1318 WeakPolarHBondContact O-CG 3.46Å; Q1314-R1318 PolarHBondContact O-N 3.2Å |
| 1315 | G | 70.7 | Confident | 70.1 | Confident | 40 Ų | 40 | 102 Ų | 102 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1311 L1312 T1319 | G1311-G1315 PolarHBondContact O-N 2.76Å; L1312-G1315 PolarHBondContact O-N 2.87Å; G1315-T1319 PolarHBondContact O-N 2.74Å; G1315-T1319 PolarHBondContact O-OG1 3.16Å |
| 1316 | L | 74.3 | Confident | 70.9 | Confident | 100 Ų | 100 | 104.2 Ų | 104.2 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -75.1 | -25.2 | 177.7 | -140.6 | 160.1 | 0 | 0 | 0 | 112.2 | L1312 Q1314 T1319 R1320 | L1312-L1316 WeakPolarHBondContact O-CB 3.43Å; L1312-L1316 PolarHBondContact O-N 2.86Å; Q1314-L1316 VanDerWaalsContact C-N 3.35Å; Q1314-L1316 PolarHBondContact O-N 3.02Å; L1316-T1319 WeakPolarHBondContact CA-OG1 3.02Å; L1316-T1319 PolarHBondContact O-OG1 2.87Å; L1316-R1320 VanDerWaalsContact CD2-NH1 3.28Å; L1316-R1320 WeakPolarHBondContact O-CB 2.83Å; L1316-R1320 WeakPolarHBondContact O-CG 3.19Å; L1316-R1320 PolarHBondContact O-N 3.25Å |
| 1317 | K | 72.1 | Confident | 71.4 | Confident | 115 Ų | 115 | 105.1 Ų | 105.1 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.8 | -52 | 169.9 | 176.3 | -177.8 | 166.4 | -178.1 | 0 | 111.5 | R1313 Q1314 T1319 R1320 E1321 | R1313-K1317 WeakPolarHBondContact O-CA 3.26Å; R1313-K1317 WeakPolarHBondContact O-CB 3.3Å; R1313-K1317 PolarHBondContact O-N 3.37Å; Q1314-K1317 PolarHBondContact O-N 3.03Å; K1317-T1319 VanDerWaalsContact C-N 3.27Å; K1317-T1319 PolarHBondContact O-N 3.3Å; K1317-R1320 CarbonylContact O-C 3.54Å; K1317-R1320 WeakPolarHBondContact O-CA 3.17Å; K1317-R1320 WeakPolarHBondContact O-CB 3.31Å; K1317-R1320 PolarHBondContact O-N 2.59Å; K1317-E1321 WeakPolarHBondContact CE-OE1 3.47Å; K1317-E1321 VanDerWaalsContact CE-OE2 3.31Å; K1317-E1321 WeakPolarHBondContact CE-OE2 3.32Å; K1317-E1321 HydrophobicContact CG-CG 4.2Å; K1317-E1321 WeakPolarHBondContact CG-OE2 3.38Å; K1317-E1321 IonicContact NZ-OE1 3.55Å; K1317-E1321 PolarHBondContact NZ-OE1 2.86Å; K1317-E1321 WeakPolarHBondContact O-CB 3.33Å; K1317-E1321 WeakPolarHBondContact O-CG 3.22Å; K1317-E1321 PolarHBondContact O-N 2.76Å |
| 1318 | R | 73.1 | Confident | 70.9 | Confident | 160 Ų | 160 | 106 Ų | 106 | 60% | 0.604 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59 | -36.6 | 179.8 | -69.3 | 177.9 | -162.1 | -179.4 | 5.4 | 112.6 | Q1314 E1321 A1322 | Q1314-R1318 WeakPolarHBondContact O-CG 3.46Å; Q1314-R1318 PolarHBondContact O-N 3.2Å; R1318-E1321 PolarHBondContact O-N 2.76Å; R1318-A1322 WeakPolarHBondContact O-CB 3.49Å; R1318-A1322 PolarHBondContact O-N 3.41Å |
| 1319 | T | 71.2 | Confident | 71.4 | Confident | 80 Ų | 80 | 102.6 Ų | 102.6 | 49% | 0.491 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.9 | -34.6 | 174.6 | 44.4 | 0 | 0 | 0 | 0 | 112.7 | G1315 L1316 K1317 N1323 | G1315-T1319 PolarHBondContact O-N 2.74Å; G1315-T1319 PolarHBondContact O-OG1 3.16Å; L1316-T1319 WeakPolarHBondContact CA-OG1 3.02Å; L1316-T1319 PolarHBondContact O-OG1 2.87Å; K1317-T1319 VanDerWaalsContact C-N 3.27Å; K1317-T1319 PolarHBondContact O-N 3.3Å; T1319-N1323 VanDerWaalsContact O-CB 3.28Å; T1319-N1323 WeakPolarHBondContact O-CB 3.4Å; T1319-N1323 VanDerWaalsContact O-CG 3.31Å; T1319-N1323 PolarHBondContact O-N 2.73Å; T1319-N1323 VanDerWaalsContact O-N 3.12Å; T1319-N1323 PolarHBondContact O-ND2 3.33Å |
| 1320 | R | 76.3 | Confident | 71.2 | Confident | 124 Ų | 124 | 98.5 Ų | 98.5 | 47% | 0.468 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 166.3 | -86.6 | -168.5 | 171.3 | 111 | 5.9 | 112.5 | P232 L1316 K1317 N1323 S1324 | P232-R1320 VanDerWaalsContact CB-CZ 3.45Å; L1316-R1320 VanDerWaalsContact CD2-NH1 3.28Å; L1316-R1320 WeakPolarHBondContact O-CB 2.83Å; L1316-R1320 WeakPolarHBondContact O-CG 3.19Å; L1316-R1320 PolarHBondContact O-N 3.25Å; K1317-R1320 CarbonylContact O-C 3.54Å; K1317-R1320 WeakPolarHBondContact O-CA 3.17Å; K1317-R1320 WeakPolarHBondContact O-CB 3.31Å; K1317-R1320 PolarHBondContact O-N 2.59Å; R1320-N1323 CarbonylContact O-C 3.6Å; R1320-N1323 PolarHBondContact O-N 2.75Å; R1320-S1324 VanDerWaalsContact O-CB 3.31Å; R1320-S1324 WeakPolarHBondContact O-CB 3.45Å; R1320-S1324 PolarHBondContact O-N 2.77Å; R1320-S1324 PolarHBondContact O-OG 2.65Å; R1320-S1324 VanDerWaalsContact O-OG 3.1Å |
| 1321 | E | 68.6 | Low | 71.1 | Confident | 77 Ų | 77 | 97.4 Ų | 97.4 | 36% | 0.36 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66 | -50.6 | -179.8 | -75 | 173.4 | 144.6 | 0 | 0 | 110.9 | K1317 R1318 N1323 S1324 E1325 | K1317-E1321 WeakPolarHBondContact CE-OE1 3.47Å; K1317-E1321 VanDerWaalsContact CE-OE2 3.31Å; K1317-E1321 WeakPolarHBondContact CE-OE2 3.32Å; K1317-E1321 HydrophobicContact CG-CG 4.2Å; K1317-E1321 WeakPolarHBondContact CG-OE2 3.38Å; K1317-E1321 IonicContact NZ-OE1 3.55Å; K1317-E1321 PolarHBondContact NZ-OE1 2.86Å; K1317-E1321 WeakPolarHBondContact O-CB 3.33Å; K1317-E1321 WeakPolarHBondContact O-CG 3.22Å; K1317-E1321 PolarHBondContact O-N 2.76Å; R1318-E1321 PolarHBondContact O-N 2.76Å; E1321-N1323 VanDerWaalsContact C-N 3.28Å; E1321-N1323 PolarHBondContact O-N 2.73Å; E1321-S1324 WeakPolarHBondContact CA-OG 3.34Å; E1321-S1324 CarbonylContact O-C 3.48Å; E1321-S1324 PolarHBondContact O-N 3.47Å; E1321-S1324 VanDerWaalsContact O-N 3.09Å; E1321-S1324 PolarHBondContact O-OG 2.61Å; E1321-E1325 WeakPolarHBondContact O-CB 3.35Å; E1321-E1325 WeakPolarHBondContact O-CG 3.19Å; E1321-E1325 PolarHBondContact O-N 3.23Å |
| 1322 | A | 71.6 | Confident | 71.1 | Confident | 42 Ų | 42 | 102.6 Ų | 102.6 | 35% | 0.347 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -34.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | R1318 R1326 | R1318-A1322 WeakPolarHBondContact O-CB 3.49Å; R1318-A1322 PolarHBondContact O-N 3.41Å; A1322-R1326 WeakPolarHBondContact O-CB 3.31Å; A1322-R1326 VanDerWaalsContact O-CG 3.26Å; A1322-R1326 WeakPolarHBondContact O-CG 3.41Å; A1322-R1326 PolarHBondContact O-N 3.21Å; A1322-R1326 VanDerWaalsContact O-N 3.09Å |
| 1323 | N | 73.8 | Confident | 71.3 | Confident | 104 Ų | 104 | 101.2 Ų | 101.2 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -76.5 | -32.8 | 173.7 | -75.4 | -13.8 | 0 | 0 | 0 | 112.6 | T1319 R1320 E1321 L1327 | T1319-N1323 VanDerWaalsContact O-CB 3.28Å; T1319-N1323 WeakPolarHBondContact O-CB 3.4Å; T1319-N1323 VanDerWaalsContact O-CG 3.31Å; T1319-N1323 PolarHBondContact O-N 2.73Å; T1319-N1323 VanDerWaalsContact O-N 3.12Å; T1319-N1323 PolarHBondContact O-ND2 3.33Å; R1320-N1323 CarbonylContact O-C 3.6Å; R1320-N1323 PolarHBondContact O-N 2.75Å; E1321-N1323 VanDerWaalsContact C-N 3.28Å; E1321-N1323 PolarHBondContact O-N 2.73Å; N1323-L1327 WeakPolarHBondContact O-CB 3.45Å; N1323-L1327 PolarHBondContact O-N 2.77Å |
| 1324 | S | 72.4 | Confident | 71.2 | Confident | 63 Ų | 63 | 97.2 Ų | 97.2 | 44% | 0.441 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -74 | -34.9 | 174.7 | 62.1 | 0 | 0 | 0 | 0 | 112 | R1320 E1321 L1327 E1328 | R1320-S1324 VanDerWaalsContact O-CB 3.31Å; R1320-S1324 WeakPolarHBondContact O-CB 3.45Å; R1320-S1324 PolarHBondContact O-N 2.77Å; R1320-S1324 PolarHBondContact O-OG 2.65Å; R1320-S1324 VanDerWaalsContact O-OG 3.1Å; E1321-S1324 WeakPolarHBondContact CA-OG 3.34Å; E1321-S1324 CarbonylContact O-C 3.48Å; E1321-S1324 PolarHBondContact O-N 3.47Å; E1321-S1324 VanDerWaalsContact O-N 3.09Å; E1321-S1324 PolarHBondContact O-OG 2.61Å; S1324-L1327 PolarHBondContact O-N 3.48Å; S1324-E1328 WeakPolarHBondContact O-CB 3.4Å; S1324-E1328 PolarHBondContact O-N 2.81Å |
| 1325 | E | 68.9 | Low | 71.1 | Confident | 128 Ų | 128 | 97.1 Ų | 97.1 | 60% | 0.598 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.3 | -44.7 | 171.3 | -74.4 | 173.9 | -178.5 | 0 | 0 | 110.5 | E1321 E1328 V1329 | E1321-E1325 WeakPolarHBondContact O-CB 3.35Å; E1321-E1325 WeakPolarHBondContact O-CG 3.19Å; E1321-E1325 PolarHBondContact O-N 3.23Å; E1325-E1328 PolarHBondContact O-N 2.82Å; E1325-V1329 WeakPolarHBondContact O-CB 3.45Å; E1325-V1329 VanDerWaalsContact O-CG2 3.26Å; E1325-V1329 WeakPolarHBondContact O-CG2 3.47Å; E1325-V1329 PolarHBondContact O-N 2.89Å |
| 1326 | R | 75.2 | Confident | 71 | Confident | 189 Ų | 189 | 100.4 Ų | 100.4 | 71% | 0.713 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -41.1 | 173.4 | -77.4 | 174.8 | 170.1 | -167.4 | -4.7 | 112.4 | A1322 A1330 | A1322-R1326 WeakPolarHBondContact O-CB 3.31Å; A1322-R1326 VanDerWaalsContact O-CG 3.26Å; A1322-R1326 WeakPolarHBondContact O-CG 3.41Å; A1322-R1326 PolarHBondContact O-N 3.21Å; A1322-R1326 VanDerWaalsContact O-N 3.09Å; R1326-A1330 WeakPolarHBondContact O-CB 3.43Å; R1326-A1330 PolarHBondContact O-N 2.71Å |
| 1327 | L | 76.1 | Confident | 70.8 | Confident | 93 Ų | 93 | 101 Ų | 101 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 176.2 | -177 | 61.8 | 0 | 0 | 0 | 111.6 | N1323 S1324 A1330 L1331 | N1323-L1327 WeakPolarHBondContact O-CB 3.45Å; N1323-L1327 PolarHBondContact O-N 2.77Å; S1324-L1327 PolarHBondContact O-N 3.48Å; L1327-A1330 PolarHBondContact O-N 3Å; L1327-L1331 HydrophobicContact CD1-CD1 4.32Å; L1327-L1331 HydrophobicContact CD1-CG 4.32Å; L1327-L1331 HydrophobicContact CG-CD1 4Å; L1327-L1331 HydrophobicContact CG-CG 4.43Å; L1327-L1331 VanDerWaalsContact O-CB 3.28Å; L1327-L1331 WeakPolarHBondContact O-CB 3.31Å; L1327-L1331 WeakPolarHBondContact O-CG 3.18Å; L1327-L1331 PolarHBondContact O-N 2.79Å |
| 1328 | E | 64 | Low | 70.1 | Confident | 96 Ų | 96 | 101 Ų | 101 | 45% | 0.449 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.8 | -38.4 | 177.5 | -164.6 | -171.3 | 162 | 0 | 0 | 111.3 | S1324 E1325 A1330 L1331 R1332 | S1324-E1328 WeakPolarHBondContact O-CB 3.4Å; S1324-E1328 PolarHBondContact O-N 2.81Å; E1325-E1328 PolarHBondContact O-N 2.82Å; E1328-A1330 VanDerWaalsContact C-N 3.35Å; E1328-L1331 PolarHBondContact O-N 3.25Å; E1328-R1332 VanDerWaalsContact O-CB 3.24Å; E1328-R1332 WeakPolarHBondContact O-CB 3.5Å; E1328-R1332 WeakPolarHBondContact O-CG 3.42Å; E1328-R1332 PolarHBondContact O-N 3.38Å; E1328-R1332 IonicContact OE1-CZ 3.45Å; E1328-R1332 IonicContact OE1-NE 3.18Å; E1328-R1332 PolarHBondContact OE1-NE 3.27Å; E1328-R1332 IonicContact OE1-NH2 3.84Å; E1328-R1332 PolarHBondContact OE1-NH2 3.34Å |
| 1329 | V | 74.5 | Confident | 69.7 | Low | 87 Ų | 87 | 97.9 Ų | 97.9 | 53% | 0.527 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 171.1 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | E1325 H1333 | E1325-V1329 WeakPolarHBondContact O-CB 3.45Å; E1325-V1329 VanDerWaalsContact O-CG2 3.26Å; E1325-V1329 WeakPolarHBondContact O-CG2 3.47Å; E1325-V1329 PolarHBondContact O-N 2.89Å; V1329-H1333 WeakPolarHBondContact O-CB 3.05Å; V1329-H1333 PolarHBondContact O-N 2.89Å |
| 1330 | A | 69.4 | Low | 69.4 | Low | 43 Ų | 43 | 96.7 Ų | 96.7 | 36% | 0.355 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66 | -45.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1326 L1327 E1328 H1333 I1334 | R1326-A1330 WeakPolarHBondContact O-CB 3.43Å; R1326-A1330 PolarHBondContact O-N 2.71Å; L1327-A1330 PolarHBondContact O-N 3Å; E1328-A1330 VanDerWaalsContact C-N 3.35Å; A1330-H1333 CarbonylContact O-C 3.33Å; A1330-H1333 PolarHBondContact O-N 2.68Å; A1330-I1334 WeakPolarHBondContact O-CB 3.21Å; A1330-I1334 VanDerWaalsContact O-CG1 3.25Å; A1330-I1334 WeakPolarHBondContact O-CG1 3.41Å; A1330-I1334 PolarHBondContact O-N 2.63Å |
| 1331 | L | 65.9 | Low | 68.9 | Low | 91 Ų | 91 | 95.1 Ų | 95.1 | 48% | 0.476 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.1 | -38.1 | 175.7 | -74.6 | 169.4 | 0 | 0 | 0 | 111.8 | L1327 E1328 I1334 S1335 | L1327-L1331 HydrophobicContact CD1-CD1 4.32Å; L1327-L1331 HydrophobicContact CD1-CG 4.32Å; L1327-L1331 HydrophobicContact CG-CD1 4Å; L1327-L1331 HydrophobicContact CG-CG 4.43Å; L1327-L1331 VanDerWaalsContact O-CB 3.28Å; L1327-L1331 WeakPolarHBondContact O-CB 3.31Å; L1327-L1331 WeakPolarHBondContact O-CG 3.18Å; L1327-L1331 PolarHBondContact O-N 2.79Å; E1328-L1331 PolarHBondContact O-N 3.25Å; L1331-I1334 PolarHBondContact O-N 2.96Å; L1331-S1335 WeakPolarHBondContact O-CB 3.49Å; L1331-S1335 PolarHBondContact O-N 3.35Å; L1331-S1335 PolarHBondContact O-OG 3.44Å; L1331-S1335 VanDerWaalsContact O-OG 3.11Å |
| 1332 | R | 69.8 | Low | 68.5 | Low | 153 Ų | 153 | 97.3 Ų | 97.3 | 58% | 0.577 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -39.2 | 172 | -73.9 | 168.6 | -178.5 | -136.4 | 11.8 | 111.5 | E1328 L1336 | E1328-R1332 VanDerWaalsContact O-CB 3.24Å; E1328-R1332 WeakPolarHBondContact O-CB 3.5Å; E1328-R1332 WeakPolarHBondContact O-CG 3.42Å; E1328-R1332 PolarHBondContact O-N 3.38Å; E1328-R1332 IonicContact OE1-CZ 3.45Å; E1328-R1332 IonicContact OE1-NE 3.18Å; E1328-R1332 PolarHBondContact OE1-NE 3.27Å; E1328-R1332 IonicContact OE1-NH2 3.84Å; E1328-R1332 PolarHBondContact OE1-NH2 3.34Å; R1332-L1336 VanDerWaalsContact O-CB 3.3Å; R1332-L1336 WeakPolarHBondContact O-CB 3.45Å; R1332-L1336 VanDerWaalsContact O-CG 3.24Å; R1332-L1336 WeakPolarHBondContact O-CG 3.18Å; R1332-L1336 PolarHBondContact O-N 2.74Å |
| 1333 | H | 71 | Confident | 68.1 | Low | 116 Ų | 116 | 96.8 Ų | 96.8 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 172.3 | -102.7 | 85.3 | 0 | 0 | 0 | 112.1 | V1329 A1330 L1336 L1337 | V1329-H1333 WeakPolarHBondContact O-CB 3.05Å; V1329-H1333 PolarHBondContact O-N 2.89Å; A1330-H1333 CarbonylContact O-C 3.33Å; A1330-H1333 PolarHBondContact O-N 2.68Å; H1333-L1336 PolarHBondContact O-N 3.11Å; H1333-L1337 VanDerWaalsContact O-CB 3.27Å; H1333-L1337 WeakPolarHBondContact O-CB 3.43Å; H1333-L1337 WeakPolarHBondContact O-CG 3.4Å; H1333-L1337 PolarHBondContact O-N 3.27Å |
| 1334 | I | 70.1 | Confident | 67.6 | Low | 81 Ų | 81 | 96.5 Ų | 96.5 | 42% | 0.415 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 175.4 | -70.2 | 162.3 | 0 | 0 | 0 | 109.6 | A1330 L1331 L1336 L1337 E1338 | A1330-I1334 WeakPolarHBondContact O-CB 3.21Å; A1330-I1334 VanDerWaalsContact O-CG1 3.25Å; A1330-I1334 WeakPolarHBondContact O-CG1 3.41Å; A1330-I1334 PolarHBondContact O-N 2.63Å; L1331-I1334 PolarHBondContact O-N 2.96Å; I1334-L1336 VanDerWaalsContact C-N 3.33Å; I1334-L1336 PolarHBondContact O-N 2.85Å; I1334-L1337 CarbonylContact O-C 3.57Å; I1334-L1337 PolarHBondContact O-N 2.91Å; I1334-E1338 HydrophobicContact CG2-CG 4.22Å; I1334-E1338 WeakPolarHBondContact O-CB 3.35Å; I1334-E1338 VanDerWaalsContact O-CG 3.27Å; I1334-E1338 WeakPolarHBondContact O-CG 3.22Å; I1334-E1338 PolarHBondContact O-N 2.85Å |
| 1335 | S | 63.1 | Low | 67 | Low | 57 Ų | 57 | 99.4 Ų | 99.4 | 40% | 0.399 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.3 | -30.9 | 176.2 | -63.4 | 0 | 0 | 0 | 0 | 113.7 | L1331 L1339 | L1331-S1335 WeakPolarHBondContact O-CB 3.49Å; L1331-S1335 PolarHBondContact O-N 3.35Å; L1331-S1335 PolarHBondContact O-OG 3.44Å; L1331-S1335 VanDerWaalsContact O-OG 3.11Å; S1335-L1339 WeakPolarHBondContact O-CB 3.31Å; S1335-L1339 VanDerWaalsContact O-CG 3.3Å; S1335-L1339 WeakPolarHBondContact O-CG 2.98Å; S1335-L1339 PolarHBondContact O-N 2.78Å |
| 1336 | L | 68.8 | Low | 66.4 | Low | 110 Ų | 110 | 96.5 Ų | 96.5 | 58% | 0.576 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -72.5 | -39.9 | 171.5 | -77.4 | 169.6 | 0 | 0 | 0 | 111.7 | R1332 H1333 I1334 L1339 E1340 | R1332-L1336 VanDerWaalsContact O-CB 3.3Å; R1332-L1336 WeakPolarHBondContact O-CB 3.45Å; R1332-L1336 VanDerWaalsContact O-CG 3.24Å; R1332-L1336 WeakPolarHBondContact O-CG 3.18Å; R1332-L1336 PolarHBondContact O-N 2.74Å; H1333-L1336 PolarHBondContact O-N 3.11Å; I1334-L1336 VanDerWaalsContact C-N 3.33Å; I1334-L1336 PolarHBondContact O-N 2.85Å; L1336-L1339 PolarHBondContact O-N 2.94Å; L1336-E1340 WeakPolarHBondContact O-CB 2.89Å; L1336-E1340 PolarHBondContact O-N 2.76Å |
| 1337 | L | 71.2 | Confident | 65.8 | Low | 112 Ų | 112 | 91.4 Ų | 91.4 | 59% | 0.586 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.6 | -34 | 173.6 | -73.3 | 167.2 | 0 | 0 | 0 | 111.6 | H1333 I1334 L1341 | H1333-L1337 VanDerWaalsContact O-CB 3.27Å; H1333-L1337 WeakPolarHBondContact O-CB 3.43Å; H1333-L1337 WeakPolarHBondContact O-CG 3.4Å; H1333-L1337 PolarHBondContact O-N 3.27Å; I1334-L1337 CarbonylContact O-C 3.57Å; I1334-L1337 PolarHBondContact O-N 2.91Å; L1337-L1341 WeakPolarHBondContact O-CA 3.4Å; L1337-L1341 WeakPolarHBondContact O-CB 2.99Å; L1337-L1341 PolarHBondContact O-N 2.88Å |
| 1338 | E | 57.3 | Low | 65.3 | Low | 114 Ų | 114 | 91.8 Ų | 91.8 | 53% | 0.533 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.8 | -45.4 | 171.8 | -74.7 | 170.8 | 161.5 | 0 | 0 | 110.5 | I1334 E1340 L1341 Q1342 | I1334-E1338 HydrophobicContact CG2-CG 4.22Å; I1334-E1338 WeakPolarHBondContact O-CB 3.35Å; I1334-E1338 VanDerWaalsContact O-CG 3.27Å; I1334-E1338 WeakPolarHBondContact O-CG 3.22Å; I1334-E1338 PolarHBondContact O-N 2.85Å; E1338-E1340 PolarHBondContact O-N 3.2Å; E1338-L1341 PolarHBondContact O-N 2.85Å; E1338-Q1342 WeakPolarHBondContact O-CA 3.18Å; E1338-Q1342 WeakPolarHBondContact O-CB 2.86Å; E1338-Q1342 PolarHBondContact O-N 2.94Å |
| 1339 | L | 63.6 | Low | 65.2 | Low | 95 Ų | 95 | 89.8 Ų | 89.8 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.5 | -21.4 | 175.1 | -81.6 | 168.8 | 0 | 0 | 0 | 113.7 | K1092 S1335 L1336 R1343 | K1092-L1339 PolarHBondContact NZ-O 3.39Å; S1335-L1339 WeakPolarHBondContact O-CB 3.31Å; S1335-L1339 VanDerWaalsContact O-CG 3.3Å; S1335-L1339 WeakPolarHBondContact O-CG 2.98Å; S1335-L1339 PolarHBondContact O-N 2.78Å; L1336-L1339 PolarHBondContact O-N 2.94Å; L1339-R1343 WeakPolarHBondContact O-CB 3.34Å; L1339-R1343 PolarHBondContact O-N 3.02Å |
| 1340 | E | 65.2 | Low | 64.5 | Low | 55 Ų | 55 | 90.4 Ų | 90.4 | 26% | 0.257 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -94.4 | -31.8 | 175 | -163.1 | 56.4 | -157.2 | 0 | 0 | 112.2 | K1092 L1336 E1338 R1343 Q1344 | K1092-E1340 IonicContact NZ-OE2 3.24Å; K1092-E1340 PolarHBondContact NZ-OE2 3.3Å; L1336-E1340 WeakPolarHBondContact O-CB 2.89Å; L1336-E1340 PolarHBondContact O-N 2.76Å; E1338-E1340 PolarHBondContact O-N 3.2Å; E1340-R1343 CarbonylContact O-C 3.44Å; E1340-R1343 PolarHBondContact O-N 2.7Å; E1340-R1343 WeakPolarHBondContact OE1-CD 3.07Å; E1340-R1343 IonicContact OE1-CZ 2.74Å; E1340-R1343 IonicContact OE1-NE 3.96Å; E1340-R1343 IonicContact OE1-NH1 3.75Å; E1340-R1343 PolarHBondContact OE1-NH1 2.95Å; E1340-R1343 VanDerWaalsContact OE1-NH1 3.08Å; E1340-R1343 IonicContact OE2-CZ 3.53Å; E1340-R1343 IonicContact OE2-NH1 3.51Å; E1340-R1343 PolarHBondContact OE2-NH1 2.62Å; E1340-Q1344 VanDerWaalsContact O-CB 3.3Å; E1340-Q1344 WeakPolarHBondContact O-CB 3.24Å; E1340-Q1344 VanDerWaalsContact O-CG 3.22Å; E1340-Q1344 WeakPolarHBondContact O-CG 3.3Å; E1340-Q1344 PolarHBondContact O-N 3.16Å |
| 1341 | L | 66.9 | Low | 64.3 | Low | 92 Ų | 92 | 90.2 Ų | 90.2 | 48% | 0.482 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -76.8 | -33 | 172.5 | -170.5 | 147.7 | 0 | 0 | 0 | 111.5 | L1337 E1338 R1343 Q1344 R1345 | L1337-L1341 WeakPolarHBondContact O-CA 3.4Å; L1337-L1341 WeakPolarHBondContact O-CB 2.99Å; L1337-L1341 PolarHBondContact O-N 2.88Å; E1338-L1341 PolarHBondContact O-N 2.85Å; L1341-R1343 VanDerWaalsContact C-N 3.33Å; L1341-Q1344 CarbonylContact O-C 3.44Å; L1341-Q1344 PolarHBondContact O-N 2.54Å; L1341-R1345 HydrophobicContact CD2-CG 4.25Å; L1341-R1345 WeakPolarHBondContact O-CB 3.18Å; L1341-R1345 VanDerWaalsContact O-CG 3.25Å; L1341-R1345 WeakPolarHBondContact O-CG 3.01Å; L1341-R1345 PolarHBondContact O-N 2.69Å |
| 1342 | Q | 58.9 | Low | 64.1 | Low | 122 Ų | 122 | 89.4 Ų | 89.4 | 57% | 0.57 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.2 | -36.9 | 167.8 | -171.5 | 175.8 | 25.5 | 0 | 0 | 110.6 | E1338 R1345 C1346 | E1338-Q1342 WeakPolarHBondContact O-CA 3.18Å; E1338-Q1342 WeakPolarHBondContact O-CB 2.86Å; E1338-Q1342 PolarHBondContact O-N 2.94Å; Q1342-R1345 WeakPolarHBondContact O-CB 3.18Å; Q1342-R1345 PolarHBondContact O-N 2.77Å; Q1342-C1346 PolarHBondContact O-N 3.06Å; Q1342-C1346 PolarHBondContact O-SG 2.74Å |
| 1343 | R | 64.5 | Low | 63.7 | Low | 31 Ų | 31 | 84 Ų | 84 | 12% | 0.117 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -74.4 | -31.8 | 174.6 | -176.2 | -94.4 | -160.1 | 87.2 | 14.6 | 112.7 | Q1091 L1339 E1340 L1341 C1346 L1347 | Q1091-R1343 PolarHBondContact O-NH1 3.27Å; Q1091-R1343 PolarHBondContact O-NH2 3.45Å; Q1091-R1343 VanDerWaalsContact O-NH2 3.09Å; Q1091-R1343 VanDerWaalsContact OE1-NH2 3.1Å; L1339-R1343 WeakPolarHBondContact O-CB 3.34Å; L1339-R1343 PolarHBondContact O-N 3.02Å; E1340-R1343 CarbonylContact O-C 3.44Å; E1340-R1343 PolarHBondContact O-N 2.7Å; E1340-R1343 WeakPolarHBondContact OE1-CD 3.07Å; E1340-R1343 IonicContact OE1-CZ 2.74Å; E1340-R1343 IonicContact OE1-NE 3.96Å; E1340-R1343 IonicContact OE1-NH1 3.75Å; E1340-R1343 PolarHBondContact OE1-NH1 2.95Å; E1340-R1343 VanDerWaalsContact OE1-NH1 3.08Å; E1340-R1343 IonicContact OE2-CZ 3.53Å; E1340-R1343 IonicContact OE2-NH1 3.51Å; E1340-R1343 PolarHBondContact OE2-NH1 2.62Å; L1341-R1343 VanDerWaalsContact C-N 3.33Å; R1343-C1346 PolarHBondContact O-N 2.79Å; R1343-L1347 WeakPolarHBondContact O-CB 3.24Å; R1343-L1347 WeakPolarHBondContact O-CG 3.45Å; R1343-L1347 PolarHBondContact O-N 2.63Å |
| 1344 | Q | 62.7 | Low | 63.1 | Low | 98 Ų | 98 | 80.7 Ų | 80.7 | 46% | 0.458 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73.3 | -30.6 | 168 | -75.7 | 173.2 | 12.9 | 0 | 0 | 111.5 | E1340 L1341 N1348 | E1340-Q1344 VanDerWaalsContact O-CB 3.3Å; E1340-Q1344 WeakPolarHBondContact O-CB 3.24Å; E1340-Q1344 VanDerWaalsContact O-CG 3.22Å; E1340-Q1344 WeakPolarHBondContact O-CG 3.3Å; E1340-Q1344 PolarHBondContact O-N 3.16Å; L1341-Q1344 CarbonylContact O-C 3.44Å; L1341-Q1344 PolarHBondContact O-N 2.54Å; Q1344-N1348 WeakPolarHBondContact O-CA 2.98Å; Q1344-N1348 WeakPolarHBondContact O-CB 3.29Å; Q1344-N1348 PolarHBondContact O-N 3.48Å; Q1344-N1348 PolarHBondContact O-ND2 3.26Å |
| 1345 | R | 60.5 | Low | 63 | Low | 124 Ų | 124 | 81.9 Ų | 81.9 | 47% | 0.468 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 167.8 | -79.1 | 172.9 | 177.2 | -137 | 3 | 110.8 | E258 L1341 Q1342 N1348 H1349 | E258-R1345 IonicContact OE1-CZ 3.61Å; E258-R1345 IonicContact OE1-NH1 2.72Å; E258-R1345 PolarHBondContact OE1-NH1 2.73Å; E258-R1345 IonicContact OE1-NH2 3.54Å; E258-R1345 PolarHBondContact OE1-NH2 2.87Å; L1341-R1345 HydrophobicContact CD2-CG 4.25Å; L1341-R1345 WeakPolarHBondContact O-CB 3.18Å; L1341-R1345 VanDerWaalsContact O-CG 3.25Å; L1341-R1345 WeakPolarHBondContact O-CG 3.01Å; L1341-R1345 PolarHBondContact O-N 2.69Å; Q1342-R1345 WeakPolarHBondContact O-CB 3.18Å; Q1342-R1345 PolarHBondContact O-N 2.77Å; R1345-N1348 PolarHBondContact O-N 2.67Å; R1345-H1349 WeakPolarHBondContact O-CB 3.37Å; R1345-H1349 PolarHBondContact O-N 2.73Å |
| 1346 | C | 55.3 | Low | 62.5 | Low | 67 Ų | 67 | 82 Ų | 82 | 45% | 0.453 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.5 | -53 | 172.5 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | Q1342 R1343 N1348 H1349 D1350 | Q1342-C1346 PolarHBondContact O-N 3.06Å; Q1342-C1346 PolarHBondContact O-SG 2.74Å; R1343-C1346 PolarHBondContact O-N 2.79Å; C1346-N1348 VanDerWaalsContact C-N 3.32Å; C1346-N1348 PolarHBondContact O-N 2.97Å; C1346-H1349 CarbonylContact O-C 3.34Å; C1346-H1349 PolarHBondContact O-N 3.27Å; C1346-H1349 VanDerWaalsContact O-N 3.13Å; C1346-D1350 WeakPolarHBondContact O-CB 3.33Å; C1346-D1350 VanDerWaalsContact O-CG 3.29Å; C1346-D1350 PolarHBondContact O-N 2.72Å |
| 1347 | L | 62.3 | Low | 62.1 | Low | 82 Ų | 82 | 84.4 Ų | 84.4 | 43% | 0.429 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.2 | -32.7 | 177.9 | -73.4 | 178 | 0 | 0 | 0 | 113.3 | R1343 A1351 | R1343-L1347 WeakPolarHBondContact O-CB 3.24Å; R1343-L1347 WeakPolarHBondContact O-CG 3.45Å; R1343-L1347 PolarHBondContact O-N 2.63Å; L1347-A1351 WeakPolarHBondContact O-CA 3.19Å; L1347-A1351 WeakPolarHBondContact O-CB 2.96Å; L1347-A1351 PolarHBondContact O-N 2.78Å |
| 1348 | N | 66.2 | Low | 61.5 | Low | 101 Ų | 101 | 81.2 Ų | 81.2 | 54% | 0.54 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -80.2 | -24.2 | 175.4 | -72.1 | -13.7 | 0 | 0 | 0 | 112.4 | Q1344 R1345 C1346 A1351 E1352 | Q1344-N1348 WeakPolarHBondContact O-CA 2.98Å; Q1344-N1348 WeakPolarHBondContact O-CB 3.29Å; Q1344-N1348 PolarHBondContact O-N 3.48Å; Q1344-N1348 PolarHBondContact O-ND2 3.26Å; R1345-N1348 PolarHBondContact O-N 2.67Å; C1346-N1348 VanDerWaalsContact C-N 3.32Å; C1346-N1348 PolarHBondContact O-N 2.97Å; N1348-A1351 CarbonylContact O-C 3.13Å; N1348-E1352 WeakPolarHBondContact O-CA 3.29Å; N1348-E1352 WeakPolarHBondContact O-CB 3.09Å; N1348-E1352 PolarHBondContact O-N 3.38Å |
| 1349 | H | 63.1 | Low | 62 | Low | 55 Ų | 55 | 77.9 Ų | 77.9 | 26% | 0.255 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -81.4 | -40.7 | 171.8 | -176 | 93.9 | 0 | 0 | 0 | 110.2 | E265 R1345 C1346 A1351 E1352 V1353 | E265-H1349 IonicContact OE1-CE1 2.76Å; E265-H1349 PolarHBondContact OE1-CE1 3.47Å; E265-H1349 VanDerWaalsContact OE1-CE1 3.3Å; E265-H1349 IonicContact OE1-ND1 2.73Å; E265-H1349 PolarHBondContact OE1-ND1 2.73Å; E265-H1349 VanDerWaalsContact OE1-ND1 3.1Å; R1345-H1349 WeakPolarHBondContact O-CB 3.37Å; R1345-H1349 PolarHBondContact O-N 2.73Å; C1346-H1349 CarbonylContact O-C 3.34Å; C1346-H1349 PolarHBondContact O-N 3.27Å; C1346-H1349 VanDerWaalsContact O-N 3.13Å; H1349-A1351 VanDerWaalsContact C-N 3.33Å; H1349-E1352 CarbonylContact O-C 3.08Å; H1349-E1352 PolarHBondContact O-N 2.76Å; H1349-E1352 VanDerWaalsContact O-N 3.12Å; H1349-V1353 WeakPolarHBondContact O-CB 3.39Å; H1349-V1353 VanDerWaalsContact O-CG2 3.32Å; H1349-V1353 WeakPolarHBondContact O-CG2 3.02Å; H1349-V1353 PolarHBondContact O-N 3.42Å |
| 1350 | D | 58.3 | Low | 61.6 | Low | 100 Ų | 100 | 74.3 Ų | 74.3 | 54% | 0.535 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 168.5 | -69 | -28.2 | 0 | 0 | 0 | 110.6 | C1346 A1354 | C1346-D1350 WeakPolarHBondContact O-CB 3.33Å; C1346-D1350 VanDerWaalsContact O-CG 3.29Å; C1346-D1350 PolarHBondContact O-N 2.72Å; D1350-A1354 WeakPolarHBondContact O-CA 3.11Å; D1350-A1354 WeakPolarHBondContact O-CB 3.39Å; D1350-A1354 PolarHBondContact O-N 2.93Å |
| 1351 | A | 65 | Low | 61.5 | Low | 39 Ų | 39 | 73.2 Ų | 73.2 | 32% | 0.322 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -84.5 | -0.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1347 N1348 H1349 R1355 | L1347-A1351 WeakPolarHBondContact O-CA 3.19Å; L1347-A1351 WeakPolarHBondContact O-CB 2.96Å; L1347-A1351 PolarHBondContact O-N 2.78Å; N1348-A1351 CarbonylContact O-C 3.13Å; H1349-A1351 VanDerWaalsContact C-N 3.33Å; A1351-R1355 WeakPolarHBondContact O-CB 3.28Å; A1351-R1355 WeakPolarHBondContact O-CG 3.26Å; A1351-R1355 VanDerWaalsContact O-CZ 3.3Å; A1351-R1355 PolarHBondContact O-N 2.76Å; A1351-R1355 PolarHBondContact O-NE 3.4Å; A1351-R1355 PolarHBondContact O-NH2 2.78Å |
| 1352 | E | 61.6 | Low | 61.7 | Low | 73 Ų | 73 | 71.4 Ų | 71.4 | 34% | 0.341 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -92.4 | -51 | 163.5 | -176.4 | 66.2 | -128.4 | 0 | 0 | 107.6 | N1348 H1349 A1354 R1355 Q1356 | N1348-E1352 WeakPolarHBondContact O-CA 3.29Å; N1348-E1352 WeakPolarHBondContact O-CB 3.09Å; N1348-E1352 PolarHBondContact O-N 3.38Å; H1349-E1352 CarbonylContact O-C 3.08Å; H1349-E1352 PolarHBondContact O-N 2.76Å; H1349-E1352 VanDerWaalsContact O-N 3.12Å; E1352-A1354 PolarHBondContact O-N 3.38Å; E1352-R1355 CarbonylContact O-C 2.92Å; E1352-R1355 VanDerWaalsContact O-C 3.27Å; E1352-R1355 WeakPolarHBondContact O-CA 3.1Å; E1352-R1355 PolarHBondContact O-N 2.76Å; E1352-R1355 IonicContact OE1-NH1 3.53Å; E1352-R1355 IonicContact OE2-CZ 3.49Å; E1352-R1355 IonicContact OE2-NH1 2.65Å; E1352-R1355 PolarHBondContact OE2-NH1 2.79Å; E1352-R1355 IonicContact OE2-NH2 2.74Å; E1352-R1355 PolarHBondContact OE2-NH2 2.76Å; E1352-Q1356 WeakPolarHBondContact O-CA 2.99Å; E1352-Q1356 WeakPolarHBondContact O-CB 2.98Å; E1352-Q1356 PolarHBondContact O-N 2.72Å |
| 1353 | V | 61.3 | Low | 62 | Low | 39 Ų | 39 | 65.6 Ų | 65.6 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.4 | -38 | 168.4 | 173.1 | 0 | 0 | 0 | 0 | 111 | H1349 Q1356 R1357 | H1349-V1353 WeakPolarHBondContact O-CB 3.39Å; H1349-V1353 VanDerWaalsContact O-CG2 3.32Å; H1349-V1353 WeakPolarHBondContact O-CG2 3.02Å; H1349-V1353 PolarHBondContact O-N 3.42Å; V1353-Q1356 CarbonylContact O-C 3.45Å; V1353-Q1356 PolarHBondContact O-N 2.69Å; V1353-R1357 VanDerWaalsContact O-CB 3.28Å; V1353-R1357 WeakPolarHBondContact O-CB 3.24Å; V1353-R1357 WeakPolarHBondContact O-CG 3.44Å; V1353-R1357 PolarHBondContact O-N 3.43Å |
| 1354 | A | 58.3 | Low | 61.6 | Low | 47 Ų | 47 | 64.1 Ų | 64.1 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -76.6 | -44.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | D1350 E1352 Q1356 R1357 E1358 | D1350-A1354 WeakPolarHBondContact O-CA 3.11Å; D1350-A1354 WeakPolarHBondContact O-CB 3.39Å; D1350-A1354 PolarHBondContact O-N 2.93Å; E1352-A1354 PolarHBondContact O-N 3.38Å; A1354-Q1356 PolarHBondContact O-N 3.44Å; A1354-R1357 PolarHBondContact O-N 3.47Å; A1354-E1358 VanDerWaalsContact O-CA 3.29Å; A1354-E1358 WeakPolarHBondContact O-CA 3.32Å; A1354-E1358 WeakPolarHBondContact O-CB 3.45Å; A1354-E1358 WeakPolarHBondContact O-CG 2.97Å; A1354-E1358 PolarHBondContact O-N 2.73Å |
| 1355 | R | 69.9 | Low | 61.7 | Low | 107 Ų | 107 | 60.5 Ų | 60.5 | 40% | 0.404 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.4 | -6.6 | 168.4 | -81.5 | 178.8 | -62.6 | 96.8 | 9.5 | 114.2 | A1351 E1352 E1358 V1359 | A1351-R1355 WeakPolarHBondContact O-CB 3.28Å; A1351-R1355 WeakPolarHBondContact O-CG 3.26Å; A1351-R1355 VanDerWaalsContact O-CZ 3.3Å; A1351-R1355 PolarHBondContact O-N 2.76Å; A1351-R1355 PolarHBondContact O-NE 3.4Å; A1351-R1355 PolarHBondContact O-NH2 2.78Å; E1352-R1355 CarbonylContact O-C 2.92Å; E1352-R1355 VanDerWaalsContact O-C 3.27Å; E1352-R1355 WeakPolarHBondContact O-CA 3.1Å; E1352-R1355 PolarHBondContact O-N 2.76Å; E1352-R1355 IonicContact OE1-NH1 3.53Å; E1352-R1355 IonicContact OE2-CZ 3.49Å; E1352-R1355 IonicContact OE2-NH1 2.65Å; E1352-R1355 PolarHBondContact OE2-NH1 2.79Å; E1352-R1355 IonicContact OE2-NH2 2.74Å; E1352-R1355 PolarHBondContact OE2-NH2 2.76Å; R1355-E1358 WeakPolarHBondContact CA-OE1 2.87Å; R1355-E1358 WeakPolarHBondContact CG-OE1 3.26Å; R1355-E1358 WeakPolarHBondContact O-CB 3.32Å; R1355-V1359 WeakPolarHBondContact O-CB 3.49Å; R1355-V1359 WeakPolarHBondContact O-CG2 3.29Å; R1355-V1359 PolarHBondContact O-N 3.43Å |
| 1356 | Q | 51.3 | Low | 62.1 | Low | 58 Ų | 58 | 55.7 Ų | 55.7 | 27% | 0.271 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -116.3 | -21.3 | -175.1 | -156.7 | -173 | 83.4 | 0 | 0 | 113.2 | K272 E1352 V1353 A1354 V1359 E1360 | K272-Q1356 HydrophobicContact CD-CG 3.95Å; K272-Q1356 WeakPolarHBondContact CE-O 3.15Å; E1352-Q1356 WeakPolarHBondContact O-CA 2.99Å; E1352-Q1356 WeakPolarHBondContact O-CB 2.98Å; E1352-Q1356 PolarHBondContact O-N 2.72Å; V1353-Q1356 CarbonylContact O-C 3.45Å; V1353-Q1356 PolarHBondContact O-N 2.69Å; A1354-Q1356 PolarHBondContact O-N 3.44Å; Q1356-V1359 VanDerWaalsContact CA-N 3.31Å; Q1356-V1359 HydrophobicContact CG-CB 4.37Å; Q1356-V1359 CarbonylContact O-C 3.55Å; Q1356-V1359 WeakPolarHBondContact O-CA 3.24Å; Q1356-V1359 PolarHBondContact O-N 2.78Å; Q1356-V1359 VanDerWaalsContact O-N 3.12Å; Q1356-E1360 PolarHBondContact O-N 3.49Å |
| 1357 | R | 60 | Low | 62.7 | Low | 161 Ų | 161 | 52.9 Ų | 52.9 | 61% | 0.608 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -83.5 | -30.6 | 157.2 | -78.6 | 175.5 | 172.9 | 176.6 | 0.4 | 112.4 | V1353 A1354 E1360 L1361 | V1353-R1357 VanDerWaalsContact O-CB 3.28Å; V1353-R1357 WeakPolarHBondContact O-CB 3.24Å; V1353-R1357 WeakPolarHBondContact O-CG 3.44Å; V1353-R1357 PolarHBondContact O-N 3.43Å; A1354-R1357 PolarHBondContact O-N 3.47Å; R1357-E1360 VanDerWaalsContact CA-OE2 3.3Å; R1357-E1360 WeakPolarHBondContact CA-OE2 3.2Å; R1357-E1360 VanDerWaalsContact CG-OE2 3.25Å; R1357-E1360 WeakPolarHBondContact CG-OE2 3.08Å; R1357-E1360 WeakPolarHBondContact O-CB 3.23Å; R1357-E1360 PolarHBondContact O-N 2.83Å; R1357-L1361 PolarHBondContact O-N 3.34Å |
| 1358 | E | 59 | Low | 62.7 | Low | 45 Ų | 45 | 50.1 Ų | 50.1 | 21% | 0.21 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -47.2 | -72.1 | 141.3 | -70.7 | 178.8 | -120.7 | 0 | 0 | 104.6 | A1354 R1355 E1360 L1361 Q1804 T1808 | A1354-E1358 VanDerWaalsContact O-CA 3.29Å; A1354-E1358 WeakPolarHBondContact O-CA 3.32Å; A1354-E1358 WeakPolarHBondContact O-CB 3.45Å; A1354-E1358 WeakPolarHBondContact O-CG 2.97Å; A1354-E1358 PolarHBondContact O-N 2.73Å; R1355-E1358 WeakPolarHBondContact CA-OE1 2.87Å; R1355-E1358 WeakPolarHBondContact CG-OE1 3.26Å; R1355-E1358 WeakPolarHBondContact O-CB 3.32Å; E1358-E1360 CarbonylContact O-C 3.2Å; E1358-E1360 WeakPolarHBondContact O-CA 3.3Å; E1358-E1360 PolarHBondContact O-N 2.67Å; E1358-L1361 PolarHBondContact O-N 3.37Å; E1358-Q1804 WeakPolarHBondContact CA-O 3.22Å; E1358-Q1804 HydrophobicContact CB-CG 4.43Å; E1358-Q1804 WeakPolarHBondContact CB-O 2.94Å; E1358-Q1804 HydrophobicContact CG-CG 3.76Å; E1358-Q1804 VanDerWaalsContact CG-O 3.24Å; E1358-Q1804 WeakPolarHBondContact CG-O 3.16Å; E1358-Q1804 WeakPolarHBondContact OE2-CG 3.07Å; E1358-Q1804 PolarHBondContact OE2-NE2 2.93Å; E1358-T1808 CarbonylContact C-O 3.4Å; E1358-T1808 CarbonylContact O-C 3.27Å; E1358-T1808 WeakPolarHBondContact O-CA 3.04Å; E1358-T1808 WeakPolarHBondContact O-CB 3.21Å |
| 1359 | V | 68.2 | Low | 63 | Low | 44 Ų | 44 | 46.4 Ų | 46.4 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 18.2 | 179.5 | -177.8 | 0 | 0 | 0 | 0 | 116.2 | R1355 Q1356 Y1363 T1808 R1812 | R1355-V1359 WeakPolarHBondContact O-CB 3.49Å; R1355-V1359 WeakPolarHBondContact O-CG2 3.29Å; R1355-V1359 PolarHBondContact O-N 3.43Å; Q1356-V1359 VanDerWaalsContact CA-N 3.31Å; Q1356-V1359 HydrophobicContact CG-CB 4.37Å; Q1356-V1359 CarbonylContact O-C 3.55Å; Q1356-V1359 WeakPolarHBondContact O-CA 3.24Å; Q1356-V1359 PolarHBondContact O-N 2.78Å; Q1356-V1359 VanDerWaalsContact O-N 3.12Å; V1359-Y1363 WeakPolarHBondContact O-CB 3.24Å; V1359-T1808 CarbonylContact C-O 3.49Å; V1359-T1808 WeakPolarHBondContact CA-O 3.35Å; V1359-T1808 HydrophobicContact CB-CG2 4.18Å; V1359-T1808 HydrophobicContact CG2-CG2 3.47Å; V1359-T1808 VanDerWaalsContact CG2-CG2 3.47Å; V1359-R1812 HydrophobicContact CG1-CB 3.87Å; V1359-R1812 HydrophobicContact CG1-CG 4.11Å; V1359-R1812 VanDerWaalsContact CG1-NE 3.3Å; V1359-R1812 VanDerWaalsContact O-CZ 3.31Å; V1359-R1812 PolarHBondContact O-NE 2.74Å; V1359-R1812 PolarHBondContact O-NH2 3.06Å |
| 1360 | E | 54.4 | Low | 63.3 | Low | 21 Ų | 21 | 44.7 Ų | 44.7 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -30.5 | 151.8 | -70.2 | 154.6 | 154.9 | 0 | 0 | 117.1 | K272 Q1356 R1357 E1358 Y1363 T1808 R1809 | K272-E1360 HydrophobicContact CD-CG 4.37Å; K272-E1360 VanDerWaalsContact CD-OE1 3.24Å; K272-E1360 WeakPolarHBondContact CD-OE1 3.13Å; K272-E1360 VanDerWaalsContact CE-OE1 3.24Å; K272-E1360 WeakPolarHBondContact CE-OE1 3.05Å; K272-E1360 VanDerWaalsContact CE-OE2 3.28Å; K272-E1360 WeakPolarHBondContact CE-OE2 3.19Å; K272-E1360 VanDerWaalsContact CG-OE1 3.22Å; K272-E1360 WeakPolarHBondContact CG-OE1 3.36Å; Q1356-E1360 PolarHBondContact O-N 3.49Å; R1357-E1360 VanDerWaalsContact CA-OE2 3.3Å; R1357-E1360 WeakPolarHBondContact CA-OE2 3.2Å; R1357-E1360 VanDerWaalsContact CG-OE2 3.25Å; R1357-E1360 WeakPolarHBondContact CG-OE2 3.08Å; R1357-E1360 WeakPolarHBondContact O-CB 3.23Å; R1357-E1360 PolarHBondContact O-N 2.83Å; E1358-E1360 CarbonylContact O-C 3.2Å; E1358-E1360 WeakPolarHBondContact O-CA 3.3Å; E1358-E1360 PolarHBondContact O-N 2.67Å; E1360-Y1363 WeakPolarHBondContact O-CB 3.13Å; E1360-T1808 CarbonylContact C-O 2.98Å; E1360-T1808 VanDerWaalsContact C-O 3.29Å; E1360-T1808 PolarHBondContact N-O 2.69Å; E1360-T1808 VanDerWaalsContact N-O 3.12Å; E1360-R1809 WeakPolarHBondContact O-CA 3.37Å; E1360-R1809 WeakPolarHBondContact O-CB 3.13Å; E1360-R1809 WeakPolarHBondContact O-CG 3.4Å; E1360-R1809 PolarHBondContact O-N 3.34Å |
| 1361 | L | 63.1 | Low | 63.5 | Low | 31 Ų | 31 | 40 Ų | 40 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 0 | 170.1 | -43.3 | 50.2 | 0 | 0 | 0 | 138.4 | R1357 E1358 A1805 E1806 L1807 T1808 R1809 | R1357-L1361 PolarHBondContact O-N 3.34Å; E1358-L1361 PolarHBondContact O-N 3.37Å; L1361-A1805 CarbonylContact C-O 3.01Å; L1361-A1805 VanDerWaalsContact CA-C 3.4Å; L1361-A1805 WeakPolarHBondContact CA-O 3.34Å; L1361-A1805 VanDerWaalsContact CB-CA 3.45Å; L1361-A1805 HydrophobicContact CB-CB 3.66Å; L1361-A1805 WeakPolarHBondContact CB-O 3.48Å; L1361-A1805 HydrophobicContact CD2-CB 3.56Å; L1361-A1805 HydrophobicContact CG-CB 4.11Å; L1361-A1805 CarbonylContact O-C 3.2Å; L1361-E1806 WeakPolarHBondContact CB-OE1 3.26Å; L1361-E1806 HydrophobicContact CD2-CG 4.16Å; L1361-E1806 WeakPolarHBondContact CD2-OE1 3.39Å; L1361-E1806 VanDerWaalsContact CG-OE1 3.28Å; L1361-E1806 WeakPolarHBondContact CG-OE1 3.25Å; L1361-E1806 CarbonylContact O-C 3.54Å; L1361-E1806 WeakPolarHBondContact O-CA 3.39Å; L1361-E1806 VanDerWaalsContact O-O 3.12Å; L1361-L1807 VanDerWaalsContact O-CA 3.31Å; L1361-L1807 WeakPolarHBondContact O-CA 3.32Å; L1361-L1807 PolarHBondContact O-N 2.89Å; L1361-T1808 PolarHBondContact N-O 2.91Å; L1361-T1808 VanDerWaalsContact N-O 3.17Å; L1361-T1808 PolarHBondContact O-N 3.3Å; L1361-R1809 VanDerWaalsContact C-C 3.43Å; L1361-R1809 HydrophobicContact CB-CB 3.48Å; L1361-R1809 VanDerWaalsContact CB-CB 3.48Å; L1361-R1809 HydrophobicContact CB-CG 3.79Å; L1361-R1809 HydrophobicContact CD1-CG 3.94Å; L1361-R1809 HydrophobicContact CG-CB 3.86Å; L1361-R1809 HydrophobicContact CG-CG 3.52Å; L1361-R1809 VanDerWaalsContact O-CA 3.22Å; L1361-R1809 WeakPolarHBondContact O-CA 3.46Å; L1361-R1809 WeakPolarHBondContact O-CB 3.25Å |
| 1362 | K | 71.4 | Confident | 63.4 | Low | 55 Ų | 55 | 40 Ų | 40 | 24% | 0.239 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -70.1 | -171.2 | -83.1 | 80.3 | 0 | 131.1 | Q1804 L1807 T1808 R1809 L1810 A1811 R1812 | K1362-Q1804 VanDerWaalsContact NZ-NE2 3.19Å; K1362-L1807 VanDerWaalsContact CA-C 3.46Å; K1362-L1807 WeakPolarHBondContact CB-O 3.08Å; K1362-L1807 HydrophobicContact CD-CB 4.31Å; K1362-L1807 WeakPolarHBondContact CD-O 3.2Å; K1362-L1807 WeakPolarHBondContact CE-O 3.38Å; K1362-L1807 HydrophobicContact CG-CB 3.82Å; K1362-L1807 WeakPolarHBondContact CG-O 3.49Å; K1362-L1807 PolarHBondContact NZ-O 3.01Å; K1362-T1808 CarbonylContact C-O 3.21Å; K1362-T1808 WeakPolarHBondContact CA-O 3.12Å; K1362-T1808 HydrophobicContact CB-CG2 3.31Å; K1362-T1808 PolarHBondContact NZ-OG1 2.89Å; K1362-T1808 CarbonylContact O-C 3.32Å; K1362-T1808 WeakPolarHBondContact O-CG2 3.18Å; K1362-R1809 CarbonylContact C-O 3.11Å; K1362-R1809 VanDerWaalsContact C-O 3.28Å; K1362-L1810 CarbonylContact C-O 3.22Å; K1362-L1810 HydrophobicContact CB-CB 3.97Å; K1362-L1810 HydrophobicContact CG-CB 3.46Å; K1362-L1810 VanDerWaalsContact CG-CB 3.46Å; K1362-L1810 CarbonylContact O-C 3.25Å; K1362-A1811 HydrophobicContact CB-CB 3.79Å; K1362-A1811 HydrophobicContact CD-CB 3.88Å; K1362-A1811 HydrophobicContact CG-CB 3.98Å; K1362-A1811 CarbonylContact O-C 3.48Å; K1362-A1811 VanDerWaalsContact O-C 3.28Å; K1362-A1811 WeakPolarHBondContact O-CA 3.41Å; K1362-A1811 VanDerWaalsContact O-CB 3.28Å; K1362-A1811 WeakPolarHBondContact O-CB 3.1Å; K1362-A1811 PolarHBondContact O-N 3.31Å; K1362-R1812 PolarHBondContact O-N 2.75Å | |
| 1363 | Y | 66.5 | Low | 63.9 | Low | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | 0 | -112.7 | 0 | -162 | -112.8 | 0 | 0 | 0 | 131.3 | S276 S280 V1359 E1360 T1808 R1809 L1810 R1812 Q1813 E1816 | S276-Y1363 PolarHBondContact O-OH 2.92Å; S276-Y1363 WeakPolarHBondContact OG-CE1 3.12Å; S276-Y1363 WeakPolarHBondContact OG-CE2 3.41Å; S276-Y1363 PolarHBondContact OG-OH 2.97Å; S280-Y1363 WeakPolarHBondContact CB-OH 3.39Å; V1359-Y1363 WeakPolarHBondContact O-CB 3.24Å; E1360-Y1363 WeakPolarHBondContact O-CB 3.13Å; Y1363-T1808 WeakPolarHBondContact CB-O 3.49Å; Y1363-T1808 PolarHBondContact N-O 3.34Å; Y1363-R1809 CarbonylContact C-O 3.52Å; Y1363-R1809 WeakPolarHBondContact CA-O 3.42Å; Y1363-R1809 PolarHBondContact N-O 2.89Å; Y1363-L1810 PolarHBondContact N-O 2.9Å; Y1363-R1812 HydrophobicContact CD2-CB 4Å; Y1363-R1812 HydrophobicContact CD2-CG 3.85Å; Y1363-R1812 WeakPolarHBondContact CD2-O 3.14Å; Y1363-R1812 VanDerWaalsContact CE2-NH1 3.34Å; Y1363-R1812 HydrophobicContact CG-CB 4.39Å; Y1363-R1812 CarbonylContact O-C 3.38Å; Y1363-Q1813 WeakPolarHBondContact O-CA 3.27Å; Y1363-Q1813 WeakPolarHBondContact O-CB 3.15Å; Y1363-Q1813 PolarHBondContact O-N 2.62Å; Y1363-E1816 HydrophobicContact CE2-CB 4.08Å; Y1363-E1816 HydrophobicContact CE2-CG 4.41Å; Y1363-E1816 WeakPolarHBondContact CE2-OE1 3.15Å; Y1363-E1816 VanDerWaalsContact CZ-OE1 3.27Å; Y1363-E1816 PolarHBondContact OH-OE1 2.9Å | |
| 1364 | C | 55.4 | Low | 64 | Low | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 16.8 | 172.4 | -124 | 0 | 0 | 0 | 0 | 120.8 | Q279 S280 N283 R1367 L1368 R1809 | Q279-C1364 VanDerWaalsContact C-SG 3.58Å; Q279-C1364 HydrophobicContact CB-CB 4.41Å; Q279-C1364 PolarHBondContact O-SG 2.92Å; S280-C1364 WeakPolarHBondContact CA-SG 3.2Å; S280-C1364 PolarHBondContact N-SG 2.72Å; N283-C1364 VanDerWaalsContact ND2-CB 3.27Å; N283-C1364 WeakPolarHBondContact ND2-CB 3.16Å; N283-C1364 PolarHBondContact ND2-O 2.96Å; N283-C1364 PolarHBondContact ND2-SG 2.78Å; N283-C1364 VanDerWaalsContact ND2-SG 3.41Å; C1364-R1367 VanDerWaalsContact C-CB 3.46Å; C1364-R1367 HydrophobicContact CB-CB 4.21Å; C1364-R1367 CarbonylContact O-C 3.33Å; C1364-R1367 WeakPolarHBondContact O-CA 3.31Å; C1364-R1367 WeakPolarHBondContact O-CB 3.42Å; C1364-R1367 WeakPolarHBondContact SG-CD 2.9Å; C1364-L1368 PolarHBondContact O-N 3.45Å; C1364-R1809 CarbonylContact C-O 3.58Å; C1364-R1809 HydrophobicContact CB-CB 4.39Å; C1364-R1809 HydrophobicContact CB-CG 3.46Å; C1364-R1809 VanDerWaalsContact CB-CG 3.46Å; C1364-R1809 VanDerWaalsContact N-CG 3.29Å; C1364-R1809 PolarHBondContact N-O 3.38Å |
| 1365 | I | 64.6 | Low | 64.1 | Low | 22 Ų | 22 | 40.2 Ų | 40.2 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 5.4 | 160.4 | -24.3 | -165.2 | 0 | 0 | 0 | 109 | R1367 L1368 A1369 A1370 E1806 R1809 L1810 | I1365-R1367 VanDerWaalsContact C-N 3.34Å; I1365-L1368 VanDerWaalsContact CA-N 3.33Å; I1365-L1368 HydrophobicContact CB-CB 4.04Å; I1365-L1368 HydrophobicContact CG2-CB 3.48Å; I1365-L1368 VanDerWaalsContact CG2-CB 3.48Å; I1365-A1369 HydrophobicContact CG2-CB 3.62Å; I1365-A1369 CarbonylContact O-C 3.46Å; I1365-A1369 VanDerWaalsContact O-C 3.32Å; I1365-A1369 WeakPolarHBondContact O-CA 3.43Å; I1365-A1369 WeakPolarHBondContact O-CB 3.12Å; I1365-A1369 PolarHBondContact O-N 2.93Å; I1365-A1370 PolarHBondContact O-N 2.81Å; I1365-E1806 HydrophobicContact CD1-CB 3.81Å; I1365-E1806 VanDerWaalsContact CD1-CD 3.45Å; I1365-E1806 HydrophobicContact CD1-CG 4.22Å; I1365-E1806 VanDerWaalsContact CD1-O 3.28Å; I1365-E1806 WeakPolarHBondContact CD1-O 3.09Å; I1365-E1806 WeakPolarHBondContact CD1-OE1 3.22Å; I1365-R1809 CarbonylContact C-O 3.46Å; I1365-R1809 VanDerWaalsContact C-O 3.28Å; I1365-R1809 WeakPolarHBondContact CA-O 3.39Å; I1365-R1809 HydrophobicContact CB-CB 4.08Å; I1365-R1809 HydrophobicContact CD1-CB 4.39Å; I1365-R1809 HydrophobicContact CG1-CB 3.29Å; I1365-R1809 HydrophobicContact CG1-CG 4.15Å; I1365-R1809 VanDerWaalsContact N-CB 3.27Å; I1365-R1809 PolarHBondContact N-O 2.8Å; I1365-L1810 HydrophobicContact CB-CG 4.11Å; I1365-L1810 HydrophobicContact CG2-CG 4.38Å; I1365-L1810 WeakPolarHBondContact O-CD2 2.93Å; I1365-L1810 WeakPolarHBondContact O-CG 3.28Å |
| 1366 | Q | 69 | Low | 63.9 | Low | 23 Ų | 23 | 40.4 Ų | 40.4 | 11% | 0.107 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -4.5 | 141.7 | -107.9 | 117.1 | 3.6 | 0 | 0 | 110.6 | A1370 T1371 R1809 L1810 Q1813 I1814 | Q1366-A1370 HydrophobicContact CB-CB 3.69Å; Q1366-A1370 HydrophobicContact CG-CB 3.1Å; Q1366-A1370 CarbonylContact O-C 3.43Å; Q1366-A1370 WeakPolarHBondContact O-CA 3.2Å; Q1366-A1370 VanDerWaalsContact O-CB 3.23Å; Q1366-A1370 WeakPolarHBondContact O-CB 3.35Å; Q1366-A1370 PolarHBondContact O-N 2.82Å; Q1366-A1370 VanDerWaalsContact O-N 3.16Å; Q1366-T1371 PolarHBondContact O-N 3.26Å; Q1366-R1809 PolarHBondContact N-O 3.24Å; Q1366-L1810 WeakPolarHBondContact CB-O 3.23Å; Q1366-L1810 HydrophobicContact CG-CD2 3.83Å; Q1366-L1810 PolarHBondContact N-O 3.21Å; Q1366-L1810 VanDerWaalsContact NE2-CD2 3.27Å; Q1366-L1810 VanDerWaalsContact OE1-CA 3.31Å; Q1366-L1810 PolarHBondContact OE1-O 3.33Å; Q1366-L1810 VanDerWaalsContact OE1-O 3.1Å; Q1366-Q1813 VanDerWaalsContact C-CB 3.49Å; Q1366-Q1813 HydrophobicContact CB-CB 3.65Å; Q1366-Q1813 HydrophobicContact CB-CG 4.07Å; Q1366-I1814 HydrophobicContact CG-CB 4.47Å; Q1366-I1814 HydrophobicContact CG-CG1 4Å |
| 1367 | R | 68.7 | Low | 64.4 | Low | 8 Ų | 8 | 44.5 Ų | 44.5 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -63.6 | -100 | 130.2 | -116.7 | 158.7 | -167.8 | 111.1 | -19.7 | 110.7 | S280 N283 E284 C1364 I1365 A1369 A1370 T1371 L1372 Q1813 E1816 | S280-R1367 VanDerWaalsContact CA-CD 3.5Å; S280-R1367 WeakPolarHBondContact O-CD 2.96Å; S280-R1367 PolarHBondContact O-NE 3.15Å; S280-R1367 PolarHBondContact OG-NH2 2.6Å; N283-R1367 HydrophobicContact CB-CB 3.96Å; N283-R1367 HydrophobicContact CB-CG 4.14Å; E284-R1367 IonicContact OE1-NH2 3.59Å; E284-R1367 IonicContact OE2-CZ 3.8Å; E284-R1367 IonicContact OE2-NE 3.16Å; E284-R1367 IonicContact OE2-NH2 2.85Å; E284-R1367 PolarHBondContact OE2-NH2 2.75Å; C1364-R1367 VanDerWaalsContact C-CB 3.46Å; C1364-R1367 HydrophobicContact CB-CB 4.21Å; C1364-R1367 CarbonylContact O-C 3.33Å; C1364-R1367 WeakPolarHBondContact O-CA 3.31Å; C1364-R1367 WeakPolarHBondContact O-CB 3.42Å; C1364-R1367 WeakPolarHBondContact SG-CD 2.9Å; I1365-R1367 VanDerWaalsContact C-N 3.34Å; R1367-A1369 PolarHBondContact O-N 2.99Å; R1367-A1370 CarbonylContact O-C 3.52Å; R1367-A1370 PolarHBondContact O-N 2.96Å; R1367-T1371 HydrophobicContact CB-CG2 4.3Å; R1367-T1371 HydrophobicContact CG-CG2 3.49Å; R1367-T1371 VanDerWaalsContact CG-CG2 3.49Å; R1367-T1371 VanDerWaalsContact O-CA 3.26Å; R1367-T1371 WeakPolarHBondContact O-CA 3.45Å; R1367-T1371 WeakPolarHBondContact O-CB 2.94Å; R1367-T1371 PolarHBondContact O-N 2.6Å; R1367-T1371 PolarHBondContact O-OG1 2.73Å; R1367-L1372 PolarHBondContact O-N 2.9Å; R1367-L1372 VanDerWaalsContact O-N 3.17Å; R1367-Q1813 VanDerWaalsContact CD-OE1 3.25Å; R1367-Q1813 VanDerWaalsContact N-CD 3.27Å; R1367-Q1813 VanDerWaalsContact NH1-CD 3.34Å; R1367-E1816 IonicContact CZ-OE2 3.04Å; R1367-E1816 IonicContact NH1-OE2 3.27Å; R1367-E1816 PolarHBondContact NH1-OE2 3.35Å |
| 1368 | L | 61.2 | Low | 63.9 | Low | 23 Ų | 23 | 39.5 Ų | 39.5 | 12% | 0.12 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -45 | 1.4 | -175.5 | -68.8 | -174.4 | 0 | 0 | 0 | 121.6 | N283 C1364 I1365 L1372 | N283-L1368 HydrophobicContact CB-CD2 4.18Å; N283-L1368 HydrophobicContact CB-CG 4.15Å; N283-L1368 WeakPolarHBondContact OD1-CD1 3.48Å; N283-L1368 VanDerWaalsContact OD1-CG 3.3Å; N283-L1368 WeakPolarHBondContact OD1-CG 3.17Å; C1364-L1368 PolarHBondContact O-N 3.45Å; I1365-L1368 VanDerWaalsContact CA-N 3.33Å; I1365-L1368 HydrophobicContact CB-CB 4.04Å; I1365-L1368 HydrophobicContact CG2-CB 3.48Å; I1365-L1368 VanDerWaalsContact CG2-CB 3.48Å; L1368-L1372 WeakPolarHBondContact O-CB 3.12Å |
| 1369 | A | 72.6 | Confident | 63.6 | Low | 24 Ų | 24 | 42.6 Ų | 42.6 | 20% | 0.198 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -154.3 | 17.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1365 R1367 N1373 L1810 | I1365-A1369 HydrophobicContact CG2-CB 3.62Å; I1365-A1369 CarbonylContact O-C 3.46Å; I1365-A1369 VanDerWaalsContact O-C 3.32Å; I1365-A1369 WeakPolarHBondContact O-CA 3.43Å; I1365-A1369 WeakPolarHBondContact O-CB 3.12Å; I1365-A1369 PolarHBondContact O-N 2.93Å; R1367-A1369 PolarHBondContact O-N 2.99Å; A1369-N1373 VanDerWaalsContact O-CB 3.27Å; A1369-N1373 WeakPolarHBondContact O-CB 3.28Å; A1369-N1373 PolarHBondContact O-N 3.33Å; A1369-N1373 PolarHBondContact O-ND2 2.8Å; A1369-N1373 VanDerWaalsContact O-ND2 3.15Å; A1369-L1810 HydrophobicContact CB-CD2 3.91Å; A1369-L1810 HydrophobicContact CB-CG 4.45Å |
| 1370 | A | 68.9 | Low | 63.3 | Low | 18 Ų | 18 | 43.5 Ų | 43.5 | 15% | 0.149 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -125.5 | -27.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I1365 Q1366 R1367 N1373 E1374 D1817 | I1365-A1370 PolarHBondContact O-N 2.81Å; Q1366-A1370 HydrophobicContact CB-CB 3.69Å; Q1366-A1370 HydrophobicContact CG-CB 3.1Å; Q1366-A1370 CarbonylContact O-C 3.43Å; Q1366-A1370 WeakPolarHBondContact O-CA 3.2Å; Q1366-A1370 VanDerWaalsContact O-CB 3.23Å; Q1366-A1370 WeakPolarHBondContact O-CB 3.35Å; Q1366-A1370 PolarHBondContact O-N 2.82Å; Q1366-A1370 VanDerWaalsContact O-N 3.16Å; R1367-A1370 CarbonylContact O-C 3.52Å; R1367-A1370 PolarHBondContact O-N 2.96Å; A1370-N1373 CarbonylContact O-C 2.86Å; A1370-N1373 VanDerWaalsContact O-C 3.29Å; A1370-N1373 PolarHBondContact O-N 3.34Å; A1370-E1374 WeakPolarHBondContact O-CA 3.46Å; A1370-E1374 VanDerWaalsContact O-CB 3.23Å; A1370-E1374 WeakPolarHBondContact O-CB 3.17Å; A1370-E1374 WeakPolarHBondContact O-CG 3.1Å; A1370-E1374 PolarHBondContact O-N 2.84Å; A1370-D1817 WeakPolarHBondContact CB-OD2 3.18Å |
| 1371 | T | 62.5 | Low | 63.3 | Low | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -60 | -37.1 | 142.1 | 77.4 | 0 | 0 | 0 | 0 | 110.1 | H287 Q1366 R1367 E1374 L1375 | H287-T1371 PolarHBondContact CD2-OG1 2.96Å; H287-T1371 PolarHBondContact NE2-O 3.31Å; Q1366-T1371 PolarHBondContact O-N 3.26Å; R1367-T1371 HydrophobicContact CB-CG2 4.3Å; R1367-T1371 HydrophobicContact CG-CG2 3.49Å; R1367-T1371 VanDerWaalsContact CG-CG2 3.49Å; R1367-T1371 VanDerWaalsContact O-CA 3.26Å; R1367-T1371 WeakPolarHBondContact O-CA 3.45Å; R1367-T1371 WeakPolarHBondContact O-CB 2.94Å; R1367-T1371 PolarHBondContact O-N 2.6Å; R1367-T1371 PolarHBondContact O-OG1 2.73Å; T1371-E1374 VanDerWaalsContact CA-OE2 3.28Å; T1371-E1374 WeakPolarHBondContact CA-OE2 3.13Å; T1371-E1374 WeakPolarHBondContact CG2-OE2 3.43Å; T1371-E1374 CarbonylContact O-C 2.69Å; T1371-E1374 WeakPolarHBondContact O-CA 3.35Å; T1371-E1374 WeakPolarHBondContact O-CB 3.35Å; T1371-E1374 PolarHBondContact O-N 2.99Å; T1371-L1375 PolarHBondContact O-N 3.36Å |
| 1372 | L | 64.6 | Low | 62.5 | Low | 38 Ų | 38 | 47.9 Ų | 47.9 | 20% | 0.199 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -87.5 | -9.1 | 172.7 | -143.7 | 146.8 | 0 | 0 | 0 | 115.5 | K290 R1367 L1368 E1374 L1375 K1376 | K290-L1372 HydrophobicContact CD-CD1 3.58Å; R1367-L1372 PolarHBondContact O-N 2.9Å; R1367-L1372 VanDerWaalsContact O-N 3.17Å; L1368-L1372 WeakPolarHBondContact O-CB 3.12Å; L1372-E1374 VanDerWaalsContact C-N 3.34Å; L1372-L1375 HydrophobicContact CB-CB 4.4Å; L1372-L1375 HydrophobicContact CD1-CD1 4.26Å; L1372-L1375 HydrophobicContact CD2-CB 4.47Å; L1372-L1375 HydrophobicContact CG-CB 3.82Å; L1372-L1375 HydrophobicContact CG-CD1 4.1Å; L1372-K1376 WeakPolarHBondContact O-CB 2.98Å; L1372-K1376 WeakPolarHBondContact O-CG 3.39Å; L1372-K1376 PolarHBondContact O-N 3.14Å |
| 1373 | N | 71.6 | Confident | 61.6 | Low | 73 Ų | 73 | 46 Ų | 46 | 39% | 0.39 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -84.1 | -5.7 | 150.6 | -73.6 | -21.8 | 0 | 0 | 0 | 112.4 | A1369 A1370 K1376 Y1377 | A1369-N1373 VanDerWaalsContact O-CB 3.27Å; A1369-N1373 WeakPolarHBondContact O-CB 3.28Å; A1369-N1373 PolarHBondContact O-N 3.33Å; A1369-N1373 PolarHBondContact O-ND2 2.8Å; A1369-N1373 VanDerWaalsContact O-ND2 3.15Å; A1370-N1373 CarbonylContact O-C 2.86Å; A1370-N1373 VanDerWaalsContact O-C 3.29Å; A1370-N1373 PolarHBondContact O-N 3.34Å; N1373-K1376 CarbonylContact O-C 3.52Å; N1373-Y1377 WeakPolarHBondContact O-CA 3.47Å; N1373-Y1377 WeakPolarHBondContact O-CB 3.35Å; N1373-Y1377 WeakPolarHBondContact O-CD2 3.31Å; N1373-Y1377 PolarHBondContact O-N 2.87Å |
| 1374 | E | 62.7 | Low | 60.7 | Low | 84 Ų | 84 | 49.4 Ų | 49.4 | 39% | 0.393 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -92.1 | -15.7 | 162.4 | -69.4 | 157.7 | 174.5 | 0 | 0 | 110 | A1370 T1371 L1372 C1378 | A1370-E1374 WeakPolarHBondContact O-CA 3.46Å; A1370-E1374 VanDerWaalsContact O-CB 3.23Å; A1370-E1374 WeakPolarHBondContact O-CB 3.17Å; A1370-E1374 WeakPolarHBondContact O-CG 3.1Å; A1370-E1374 PolarHBondContact O-N 2.84Å; T1371-E1374 VanDerWaalsContact CA-OE2 3.28Å; T1371-E1374 WeakPolarHBondContact CA-OE2 3.13Å; T1371-E1374 WeakPolarHBondContact CG2-OE2 3.43Å; T1371-E1374 CarbonylContact O-C 2.69Å; T1371-E1374 WeakPolarHBondContact O-CA 3.35Å; T1371-E1374 WeakPolarHBondContact O-CB 3.35Å; T1371-E1374 PolarHBondContact O-N 2.99Å; L1372-E1374 VanDerWaalsContact C-N 3.34Å; E1374-C1378 WeakPolarHBondContact O-CA 2.96Å; E1374-C1378 WeakPolarHBondContact O-CB 3.48Å; E1374-C1378 PolarHBondContact O-N 2.69Å; E1374-C1378 PolarHBondContact O-SG 2.64Å |
| 1375 | L | 59.5 | Low | 60 | Low | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.042 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -83.5 | -36.7 | 161.5 | -123.7 | -179.7 | 0 | 0 | 0 | 108.8 | H287 K290 L291 D294 T1371 L1372 C1378 Q1379 | H287-L1375 WeakPolarHBondContact NE2-CA 3.46Å; H287-L1375 WeakPolarHBondContact NE2-CB 3.33Å; H287-L1375 WeakPolarHBondContact NE2-CG 3.31Å; H287-L1375 PolarHBondContact NE2-N 2.93Å; K290-L1375 HydrophobicContact CB-CD1 3.83Å; L291-L1375 HydrophobicContact CB-CD1 4.42Å; L291-L1375 HydrophobicContact CB-CD2 4.29Å; L291-L1375 HydrophobicContact CB-CG 4.39Å; L291-L1375 HydrophobicContact CD1-CD2 4.04Å; L291-L1375 HydrophobicContact CD1-CG 4.23Å; L291-L1375 HydrophobicContact CG-CD2 4Å; L291-L1375 HydrophobicContact CG-CG 4.46Å; D294-L1375 WeakPolarHBondContact OD2-CD1 3.07Å; T1371-L1375 PolarHBondContact O-N 3.36Å; L1372-L1375 HydrophobicContact CB-CB 4.4Å; L1372-L1375 HydrophobicContact CD1-CD1 4.26Å; L1372-L1375 HydrophobicContact CD2-CB 4.47Å; L1372-L1375 HydrophobicContact CG-CB 3.82Å; L1372-L1375 HydrophobicContact CG-CD1 4.1Å; L1375-C1378 CarbonylContact O-C 3.37Å; L1375-C1378 PolarHBondContact O-N 3.04Å; L1375-Q1379 VanDerWaalsContact O-CA 3.31Å; L1375-Q1379 WeakPolarHBondContact O-CA 3.41Å; L1375-Q1379 WeakPolarHBondContact O-CB 2.99Å; L1375-Q1379 PolarHBondContact O-N 2.6Å |
| 1376 | K | 67.5 | Low | 58.8 | Low | 111 Ų | 111 | 56.3 Ų | 56.3 | 48% | 0.483 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -78.3 | -22.4 | 167.6 | -71.9 | -179.8 | 176 | -177.7 | 0 | 114.1 | L1372 N1373 T1380 | L1372-K1376 WeakPolarHBondContact O-CB 2.98Å; L1372-K1376 WeakPolarHBondContact O-CG 3.39Å; L1372-K1376 PolarHBondContact O-N 3.14Å; N1373-K1376 CarbonylContact O-C 3.52Å; K1376-T1380 WeakPolarHBondContact O-CA 3.12Å; K1376-T1380 WeakPolarHBondContact O-CB 3.1Å; K1376-T1380 VanDerWaalsContact O-CG2 3.31Å; K1376-T1380 WeakPolarHBondContact O-CG2 3.31Å; K1376-T1380 PolarHBondContact O-N 2.75Å; K1376-T1380 PolarHBondContact O-OG1 2.86Å |
| 1377 | Y | 60.4 | Low | 57.4 | Low | 143 Ų | 143 | 59.6 Ų | 59.6 | 56% | 0.561 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -75.8 | -47.5 | 160.3 | -93.3 | -80.5 | 0 | 0 | 0 | 107.1 | N1373 Q1379 T1380 D1381 | N1373-Y1377 WeakPolarHBondContact O-CA 3.47Å; N1373-Y1377 WeakPolarHBondContact O-CB 3.35Å; N1373-Y1377 WeakPolarHBondContact O-CD2 3.31Å; N1373-Y1377 PolarHBondContact O-N 2.87Å; Y1377-Q1379 PolarHBondContact O-N 2.81Å; Y1377-T1380 CarbonylContact O-C 3.53Å; Y1377-T1380 PolarHBondContact O-N 3.13Å; Y1377-T1380 VanDerWaalsContact O-N 3.16Å; Y1377-D1381 WeakPolarHBondContact CD1-OD2 3.4Å; Y1377-D1381 WeakPolarHBondContact O-CA 3.14Å; Y1377-D1381 WeakPolarHBondContact O-CB 3.18Å; Y1377-D1381 PolarHBondContact O-N 2.97Å |
| 1378 | C | 49.9 | Very low | 56.1 | Low | 56 Ų | 56 | 62.2 Ų | 62.2 | 38% | 0.378 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.4 | -5.4 | 169.7 | -68.1 | 0 | 0 | 0 | 0 | 115.3 | E1374 L1375 I1382 | E1374-C1378 WeakPolarHBondContact O-CA 2.96Å; E1374-C1378 WeakPolarHBondContact O-CB 3.48Å; E1374-C1378 PolarHBondContact O-N 2.69Å; E1374-C1378 PolarHBondContact O-SG 2.64Å; L1375-C1378 CarbonylContact O-C 3.37Å; L1375-C1378 PolarHBondContact O-N 3.04Å; C1378-I1382 WeakPolarHBondContact O-CA 3.09Å; C1378-I1382 WeakPolarHBondContact O-CB 3.16Å; C1378-I1382 VanDerWaalsContact O-CD1 3.26Å; C1378-I1382 WeakPolarHBondContact O-CD1 3.1Å; C1378-I1382 WeakPolarHBondContact O-CG1 3.42Å; C1378-I1382 PolarHBondContact O-N 2.94Å |
| 1379 | Q | 52 | Low | 54.8 | Low | 110 Ų | 110 | 63.3 Ų | 63.3 | 51% | 0.514 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -118.7 | -11 | 176.1 | -172.7 | -171.1 | 47.5 | 0 | 0 | 111.5 | L1375 Y1377 G1383 | L1375-Q1379 VanDerWaalsContact O-CA 3.31Å; L1375-Q1379 WeakPolarHBondContact O-CA 3.41Å; L1375-Q1379 WeakPolarHBondContact O-CB 2.99Å; L1375-Q1379 PolarHBondContact O-N 2.6Å; Y1377-Q1379 PolarHBondContact O-N 2.81Å; Q1379-G1383 VanDerWaalsContact C-N 3.26Å; Q1379-G1383 WeakPolarHBondContact O-CA 3.07Å; Q1379-G1383 PolarHBondContact O-N 2.94Å |
| 1380 | T | 63 | Low | 53.2 | Low | 63 Ų | 63 | 66.2 Ų | 66.2 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -106.4 | 16.7 | 156.3 | 68.7 | 0 | 0 | 0 | 0 | 111.1 | K1376 Y1377 G1383 K1384 | K1376-T1380 WeakPolarHBondContact O-CA 3.12Å; K1376-T1380 WeakPolarHBondContact O-CB 3.1Å; K1376-T1380 VanDerWaalsContact O-CG2 3.31Å; K1376-T1380 WeakPolarHBondContact O-CG2 3.31Å; K1376-T1380 PolarHBondContact O-N 2.75Å; K1376-T1380 PolarHBondContact O-OG1 2.86Å; Y1377-T1380 CarbonylContact O-C 3.53Å; Y1377-T1380 PolarHBondContact O-N 3.13Å; Y1377-T1380 VanDerWaalsContact O-N 3.16Å; T1380-G1383 CarbonylContact O-C 3.42Å; T1380-K1384 VanDerWaalsContact O-CA 3.31Å; T1380-K1384 WeakPolarHBondContact O-CA 3.27Å; T1380-K1384 WeakPolarHBondContact O-CB 2.96Å; T1380-K1384 VanDerWaalsContact O-CE 3.25Å; T1380-K1384 WeakPolarHBondContact O-CE 3.01Å; T1380-K1384 WeakPolarHBondContact O-CG 3.22Å; T1380-K1384 PolarHBondContact O-N 3.41Å; T1380-K1384 PolarHBondContact O-NZ 2.84Å; T1380-K1384 PolarHBondContact OG1-NZ 3.45Å |
| 1381 | D | 54 | Low | 51.6 | Low | 59 Ų | 59 | 69.8 Ų | 69.8 | 32% | 0.316 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -133.5 | -30.2 | 168.9 | -61.7 | -27.7 | 0 | 0 | 0 | 107.7 | Y1377 K1384 L1385 | Y1377-D1381 WeakPolarHBondContact CD1-OD2 3.4Å; Y1377-D1381 WeakPolarHBondContact O-CA 3.14Å; Y1377-D1381 WeakPolarHBondContact O-CB 3.18Å; Y1377-D1381 PolarHBondContact O-N 2.97Å; D1381-K1384 IonicContact OD1-NZ 3.5Å; D1381-K1384 PolarHBondContact OD1-NZ 2.69Å; D1381-L1385 VanDerWaalsContact O-CA 3.26Å; D1381-L1385 WeakPolarHBondContact O-CA 3.11Å; D1381-L1385 WeakPolarHBondContact O-CB 3.22Å; D1381-L1385 WeakPolarHBondContact O-CD1 3.37Å; D1381-L1385 WeakPolarHBondContact O-CG 3.36Å; D1381-L1385 PolarHBondContact O-N 3.36Å |
| 1382 | I | 46.9 | Very low | 50.4 | Low | 85 Ų | 85 | 70.7 Ų | 70.7 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.2 | -24.8 | 141.3 | -66.2 | 165.3 | 0 | 0 | 0 | 108.6 | C1378 R1386 | C1378-I1382 WeakPolarHBondContact O-CA 3.09Å; C1378-I1382 WeakPolarHBondContact O-CB 3.16Å; C1378-I1382 VanDerWaalsContact O-CD1 3.26Å; C1378-I1382 WeakPolarHBondContact O-CD1 3.1Å; C1378-I1382 WeakPolarHBondContact O-CG1 3.42Å; C1378-I1382 PolarHBondContact O-N 2.94Å; I1382-R1386 HydrophobicContact CG2-CG 4.47Å; I1382-R1386 WeakPolarHBondContact O-CA 3.49Å; I1382-R1386 WeakPolarHBondContact O-CB 3.29Å; I1382-R1386 VanDerWaalsContact O-CD 3.27Å; I1382-R1386 WeakPolarHBondContact O-CD 2.98Å; I1382-R1386 WeakPolarHBondContact O-CG 3.13Å; I1382-R1386 PolarHBondContact O-N 2.98Å |
| 1383 | G | 52.4 | Low | 48.6 | Very low | 16 Ų | 16 | 71.6 Ų | 71.6 | 17% | 0.165 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -92.9 | -16.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116 | Q1379 T1380 E1387 | Q1379-G1383 VanDerWaalsContact C-N 3.26Å; Q1379-G1383 WeakPolarHBondContact O-CA 3.07Å; Q1379-G1383 PolarHBondContact O-N 2.94Å; T1380-G1383 CarbonylContact O-C 3.42Å; G1383-E1387 WeakPolarHBondContact O-CA 3.22Å; G1383-E1387 WeakPolarHBondContact O-CB 3.36Å; G1383-E1387 WeakPolarHBondContact O-CG 2.81Å; G1383-E1387 PolarHBondContact O-N 3.12Å |
| 1384 | K | 48 | Very low | 46.7 | Very low | 71 Ų | 71 | 71.9 Ų | 71.9 | 31% | 0.309 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -102.4 | -9.7 | 164.8 | -77.6 | 177.9 | -105.8 | 78.3 | 0 | 112.2 | T1380 D1381 Q1388 | T1380-K1384 VanDerWaalsContact O-CA 3.31Å; T1380-K1384 WeakPolarHBondContact O-CA 3.27Å; T1380-K1384 WeakPolarHBondContact O-CB 2.96Å; T1380-K1384 VanDerWaalsContact O-CE 3.25Å; T1380-K1384 WeakPolarHBondContact O-CE 3.01Å; T1380-K1384 WeakPolarHBondContact O-CG 3.22Å; T1380-K1384 PolarHBondContact O-N 3.41Å; T1380-K1384 PolarHBondContact O-NZ 2.84Å; T1380-K1384 PolarHBondContact OG1-NZ 3.45Å; D1381-K1384 IonicContact OD1-NZ 3.5Å; D1381-K1384 PolarHBondContact OD1-NZ 2.69Å; K1384-Q1388 WeakPolarHBondContact O-CA 3.28Å; K1384-Q1388 WeakPolarHBondContact O-CB 2.91Å; K1384-Q1388 WeakPolarHBondContact O-CG 3.17Å; K1384-Q1388 PolarHBondContact O-N 3.12Å; K1384-Q1388 PolarHBondContact O-OE1 2.88Å; K1384-Q1388 VanDerWaalsContact O-OE1 3.06Å |
| 1385 | L | 39.1 | Very low | 45.8 | Very low | 57 Ų | 57 | 71.8 Ų | 71.8 | 30% | 0.298 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -91.6 | -19.1 | 157.9 | -55.3 | 162.4 | 0 | 0 | 0 | 110.8 | D1381 V1389 K1628 | D1381-L1385 VanDerWaalsContact O-CA 3.26Å; D1381-L1385 WeakPolarHBondContact O-CA 3.11Å; D1381-L1385 WeakPolarHBondContact O-CB 3.22Å; D1381-L1385 WeakPolarHBondContact O-CD1 3.37Å; D1381-L1385 WeakPolarHBondContact O-CG 3.36Å; D1381-L1385 PolarHBondContact O-N 3.36Å; L1385-V1389 WeakPolarHBondContact O-CB 3.24Å; L1385-V1389 VanDerWaalsContact O-CG2 3.24Å; L1385-V1389 WeakPolarHBondContact O-CG2 3.07Å; L1385-V1389 PolarHBondContact O-N 2.9Å; L1385-K1628 HydrophobicContact CD2-CD 4.01Å |
| 1386 | R | 39.7 | Very low | 44.5 | Very low | 111 Ų | 111 | 73.2 Ų | 73.2 | 42% | 0.419 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -74.3 | -51.7 | 154 | -76.8 | 165 | -158.5 | -117.3 | 5.8 | 109.9 | H298 I1382 Q1388 V1389 D1390 | H298-R1386 PolarHBondContact CD2-NH2 2.67Å; H298-R1386 PolarHBondContact NE2-NH1 2.79Å; H298-R1386 PolarHBondContact NE2-NH2 3.47Å; I1382-R1386 HydrophobicContact CG2-CG 4.47Å; I1382-R1386 WeakPolarHBondContact O-CA 3.49Å; I1382-R1386 WeakPolarHBondContact O-CB 3.29Å; I1382-R1386 VanDerWaalsContact O-CD 3.27Å; I1382-R1386 WeakPolarHBondContact O-CD 2.98Å; I1382-R1386 WeakPolarHBondContact O-CG 3.13Å; I1382-R1386 PolarHBondContact O-N 2.98Å; R1386-Q1388 PolarHBondContact O-N 3.49Å; R1386-Q1388 VanDerWaalsContact O-N 3.15Å; R1386-V1389 CarbonylContact O-C 3.4Å; R1386-V1389 VanDerWaalsContact O-C 3.3Å; R1386-V1389 VanDerWaalsContact O-CA 3.24Å; R1386-V1389 WeakPolarHBondContact O-CA 3Å; R1386-V1389 WeakPolarHBondContact O-CB 3.39Å; R1386-V1389 PolarHBondContact O-N 3.24Å; R1386-D1390 WeakPolarHBondContact O-CA 2.87Å; R1386-D1390 VanDerWaalsContact O-CB 3.24Å; R1386-D1390 WeakPolarHBondContact O-CB 3.25Å; R1386-D1390 PolarHBondContact O-N 2.88Å |
| 1387 | E | 39.8 | Very low | 42.9 | Very low | 92 Ų | 92 | 70.4 Ų | 70.4 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.3 | -16.5 | 172.8 | -72.7 | -177.4 | 125.7 | 0 | 0 | 114 | G1383 Q1391 | G1383-E1387 WeakPolarHBondContact O-CA 3.22Å; G1383-E1387 WeakPolarHBondContact O-CB 3.36Å; G1383-E1387 WeakPolarHBondContact O-CG 2.81Å; G1383-E1387 PolarHBondContact O-N 3.12Å; E1387-Q1391 HydrophobicContact CB-CG 3.94Å; E1387-Q1391 HydrophobicContact CG-CG 4.26Å; E1387-Q1391 WeakPolarHBondContact O-CA 3.32Å; E1387-Q1391 WeakPolarHBondContact O-CB 3.35Å; E1387-Q1391 WeakPolarHBondContact O-CG 3.24Å; E1387-Q1391 PolarHBondContact O-N 2.67Å; E1387-Q1391 PolarHBondContact OE1-NE2 2.77Å |
| 1388 | Q | 42.6 | Very low | 41.4 | Very low | 62 Ų | 62 | 68 Ų | 68 | 29% | 0.29 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -89.4 | -12.2 | 163.7 | -70.7 | 157.5 | -12.8 | 0 | 0 | 112.5 | K1384 R1386 L1392 Q1632 | K1384-Q1388 WeakPolarHBondContact O-CA 3.28Å; K1384-Q1388 WeakPolarHBondContact O-CB 2.91Å; K1384-Q1388 WeakPolarHBondContact O-CG 3.17Å; K1384-Q1388 PolarHBondContact O-N 3.12Å; K1384-Q1388 PolarHBondContact O-OE1 2.88Å; K1384-Q1388 VanDerWaalsContact O-OE1 3.06Å; R1386-Q1388 PolarHBondContact O-N 3.49Å; R1386-Q1388 VanDerWaalsContact O-N 3.15Å; Q1388-L1392 HydrophobicContact CB-CD1 4.28Å; Q1388-L1392 WeakPolarHBondContact O-CB 3.34Å; Q1388-L1392 VanDerWaalsContact O-CD1 3.3Å; Q1388-L1392 WeakPolarHBondContact O-CD1 3.04Å; Q1388-L1392 VanDerWaalsContact O-CG 3.23Å; Q1388-L1392 WeakPolarHBondContact O-CG 3.36Å; Q1388-Q1632 PolarHBondContact O-NE2 2.97Å; Q1388-Q1632 PolarHBondContact O-OE1 2.75Å |
| 1389 | V | 33.9 | Very low | 40.6 | Very low | 46 Ų | 46 | 67.1 Ų | 67.1 | 28% | 0.279 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -75.3 | -70.1 | 155.9 | 166.3 | 0 | 0 | 0 | 0 | 107.3 | L1385 R1386 Q1391 L1392 E1393 | L1385-V1389 WeakPolarHBondContact O-CB 3.24Å; L1385-V1389 VanDerWaalsContact O-CG2 3.24Å; L1385-V1389 WeakPolarHBondContact O-CG2 3.07Å; L1385-V1389 PolarHBondContact O-N 2.9Å; R1386-V1389 CarbonylContact O-C 3.4Å; R1386-V1389 VanDerWaalsContact O-C 3.3Å; R1386-V1389 VanDerWaalsContact O-CA 3.24Å; R1386-V1389 WeakPolarHBondContact O-CA 3Å; R1386-V1389 WeakPolarHBondContact O-CB 3.39Å; R1386-V1389 PolarHBondContact O-N 3.24Å; V1389-Q1391 VanDerWaalsContact C-N 3.31Å; V1389-Q1391 PolarHBondContact O-N 2.93Å; V1389-L1392 CarbonylContact O-C 2.99Å; V1389-L1392 PolarHBondContact O-N 3.34Å; V1389-E1393 WeakPolarHBondContact CG1-OE2 3.13Å; V1389-E1393 VanDerWaalsContact O-CB 3.24Å; V1389-E1393 WeakPolarHBondContact O-CB 3.11Å; V1389-E1393 PolarHBondContact O-N 3.47Å |
| 1390 | D | 37.4 | Very low | 40.1 | Very low | 85 Ų | 85 | 66.6 Ų | 66.6 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.5 | -20.5 | -175.3 | -50.5 | -20.7 | 0 | 0 | 0 | 115.5 | R1386 S1394 | R1386-D1390 WeakPolarHBondContact O-CA 2.87Å; R1386-D1390 VanDerWaalsContact O-CB 3.24Å; R1386-D1390 WeakPolarHBondContact O-CB 3.25Å; R1386-D1390 PolarHBondContact O-N 2.88Å; D1390-S1394 VanDerWaalsContact O-CB 3.22Å; D1390-S1394 WeakPolarHBondContact O-CB 3.22Å; D1390-S1394 PolarHBondContact O-N 2.74Å |
| 1391 | Q | 36.5 | Very low | 38.5 | Very low | 93 Ų | 93 | 65.7 Ų | 65.7 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -116.6 | -9.4 | 171.5 | -43.2 | 177 | 4 | 0 | 0 | 114.6 | E1387 V1389 S1394 S1395 | E1387-Q1391 HydrophobicContact CB-CG 3.94Å; E1387-Q1391 HydrophobicContact CG-CG 4.26Å; E1387-Q1391 WeakPolarHBondContact O-CA 3.32Å; E1387-Q1391 WeakPolarHBondContact O-CB 3.35Å; E1387-Q1391 WeakPolarHBondContact O-CG 3.24Å; E1387-Q1391 PolarHBondContact O-N 2.67Å; E1387-Q1391 PolarHBondContact OE1-NE2 2.77Å; V1389-Q1391 VanDerWaalsContact C-N 3.31Å; V1389-Q1391 PolarHBondContact O-N 2.93Å; Q1391-S1394 WeakPolarHBondContact CA-OG 2.96Å; Q1391-S1394 WeakPolarHBondContact CB-OG 3.45Å; Q1391-S1395 WeakPolarHBondContact O-CB 3.03Å; Q1391-S1395 PolarHBondContact O-N 2.93Å; Q1391-S1395 PolarHBondContact O-OG 3.18Å |
| 1392 | L | 36.3 | Very low | 38.2 | Very low | 22 Ų | 22 | 65.8 Ų | 65.8 | 12% | 0.115 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -78 | -8.5 | 147.8 | -60.3 | 171.9 | 0 | 0 | 0 | 110.5 | Q1388 V1389 K1396 E1629 Q1632 | Q1388-L1392 HydrophobicContact CB-CD1 4.28Å; Q1388-L1392 WeakPolarHBondContact O-CB 3.34Å; Q1388-L1392 VanDerWaalsContact O-CD1 3.3Å; Q1388-L1392 WeakPolarHBondContact O-CD1 3.04Å; Q1388-L1392 VanDerWaalsContact O-CG 3.23Å; Q1388-L1392 WeakPolarHBondContact O-CG 3.36Å; V1389-L1392 CarbonylContact O-C 2.99Å; V1389-L1392 PolarHBondContact O-N 3.34Å; L1392-K1396 WeakPolarHBondContact O-CB 3.15Å; L1392-E1629 HydrophobicContact CD1-CB 4.31Å; L1392-E1629 HydrophobicContact CD1-CG 4.25Å; L1392-Q1632 HydrophobicContact CB-CB 4.08Å; L1392-Q1632 HydrophobicContact CD1-CB 3.31Å; L1392-Q1632 HydrophobicContact CD1-CG 4.32Å; L1392-Q1632 HydrophobicContact CG-CB 4.29Å |
| 1393 | E | 27 | Very low | 37.9 | Very low | 57 Ų | 57 | 68 Ų | 68 | 27% | 0.266 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -83.7 | -64.3 | 159.3 | -85.6 | 163.2 | 76.9 | 0 | 0 | 110.9 | V1389 S1395 K1396 H1636 K2082 | V1389-E1393 WeakPolarHBondContact CG1-OE2 3.13Å; V1389-E1393 VanDerWaalsContact O-CB 3.24Å; V1389-E1393 WeakPolarHBondContact O-CB 3.11Å; V1389-E1393 PolarHBondContact O-N 3.47Å; E1393-S1395 PolarHBondContact O-N 3.27Å; E1393-S1395 VanDerWaalsContact O-N 3.07Å; E1393-K1396 PolarHBondContact O-N 3.14Å; E1393-H1636 WeakPolarHBondContact CA-ND1 3.36Å; E1393-H1636 WeakPolarHBondContact CG-ND1 3.27Å; E1393-K2082 IonicContact OE2-NZ 2.67Å; E1393-K2082 PolarHBondContact OE2-NZ 3.29Å |
| 1394 | S | 31.2 | Very low | 37.4 | Very low | 78 Ų | 78 | 71.3 Ų | 71.3 | 55% | 0.545 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.1 | -14.4 | -176.4 | 85.4 | 0 | 0 | 0 | 0 | 115.9 | D1390 Q1391 | D1390-S1394 VanDerWaalsContact O-CB 3.22Å; D1390-S1394 WeakPolarHBondContact O-CB 3.22Å; D1390-S1394 PolarHBondContact O-N 2.74Å; Q1391-S1394 WeakPolarHBondContact CA-OG 2.96Å; Q1391-S1394 WeakPolarHBondContact CB-OG 3.45Å |
| 1395 | S | 44.9 | Very low | 37.1 | Very low | 82 Ų | 82 | 69 Ų | 69 | 57% | 0.573 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -8.7 | 171.9 | 75.7 | 0 | 0 | 0 | 0 | 113.7 | Q1391 E1393 K1397 | Q1391-S1395 WeakPolarHBondContact O-CB 3.03Å; Q1391-S1395 PolarHBondContact O-N 2.93Å; Q1391-S1395 PolarHBondContact O-OG 3.18Å; E1393-S1395 PolarHBondContact O-N 3.27Å; E1393-S1395 VanDerWaalsContact O-N 3.07Å; S1395-K1397 PolarHBondContact O-N 2.78Å |
| 1396 | K | 32.9 | Very low | 37.5 | Very low | 38 Ų | 38 | 72.3 Ų | 72.3 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -85.5 | 66.5 | 171.3 | -142.2 | 173.2 | -174.6 | -106.6 | 0 | 111.4 | L1392 E1393 K1633 H1636 E1637 D2078 | L1392-K1396 WeakPolarHBondContact O-CB 3.15Å; E1393-K1396 PolarHBondContact O-N 3.14Å; K1396-K1633 HydrophobicContact CD-CB 4.48Å; K1396-K1633 HydrophobicContact CD-CG 4.19Å; K1396-H1636 HydrophobicContact CB-CB 4.28Å; K1396-H1636 HydrophobicContact CD-CB 3.74Å; K1396-E1637 VanDerWaalsContact CD-OE2 3.25Å; K1396-E1637 WeakPolarHBondContact CD-OE2 3.41Å; K1396-E1637 WeakPolarHBondContact CE-OE2 3.12Å; K1396-E1637 IonicContact NZ-OE1 2.61Å; K1396-E1637 PolarHBondContact NZ-OE1 2.87Å; K1396-E1637 IonicContact NZ-OE2 2.79Å; K1396-E1637 PolarHBondContact NZ-OE2 2.7Å; K1396-D2078 WeakPolarHBondContact CD-OD2 3.49Å; K1396-D2078 VanDerWaalsContact CG-OD2 3.28Å; K1396-D2078 WeakPolarHBondContact CG-OD2 2.86Å; K1396-D2078 IonicContact NZ-OD1 3.1Å; K1396-D2078 PolarHBondContact NZ-OD1 3.28Å; K1396-D2078 IonicContact NZ-OD2 3.76Å; K1396-D2078 PolarHBondContact NZ-OD2 2.76Å |
| 1397 | K | 32.2 | Very low | 38.1 | Very low | 53 Ų | 53 | 70.7 Ų | 70.7 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | S | Bend | trans | 76.8 | 111.3 | 167.2 | -42.6 | 164.5 | -145.7 | 141 | 0 | 114.6 | S1395 L2074 C2077 D2078 | S1395-K1397 PolarHBondContact O-N 2.78Å; K1397-L2074 HydrophobicContact CB-CB 3.95Å; K1397-L2074 HydrophobicContact CB-CD1 4.29Å; K1397-L2074 HydrophobicContact CB-CD2 3.89Å; K1397-L2074 HydrophobicContact CB-CG 4.25Å; K1397-L2074 HydrophobicContact CD-CD2 3.89Å; K1397-L2074 PolarHBondContact NZ-O 3.06Å; K1397-L2074 WeakPolarHBondContact O-CB 3.2Å; K1397-C2077 PolarHBondContact NZ-O 3.09Å; K1397-C2077 PolarHBondContact NZ-SG 3.48Å; K1397-D2078 WeakPolarHBondContact CE-OD2 3.22Å; K1397-D2078 IonicContact NZ-OD1 3.3Å; K1397-D2078 PolarHBondContact NZ-OD1 3.2Å; K1397-D2078 IonicContact NZ-OD2 2.75Å; K1397-D2078 PolarHBondContact NZ-OD2 3.46Å |
| 1398 | N | 29.2 | Very low | 38.8 | Very low | 91 Ų | 91 | 71 Ų | 71 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | trans | 46.8 | 140.7 | 140 | 1 | -51.4 | 0 | 0 | 0 | 120.3 | C2070 L2074 | N1398-C2070 CarbonylContact O-C 3.13Å; N1398-L2074 HydrophobicContact CB-CD1 3.54Å; N1398-L2074 WeakPolarHBondContact ND2-CD1 3.27Å; N1398-L2074 WeakPolarHBondContact O-CD1 3.34Å | ||
| 1399 | S | 32.8 | Very low | 38.8 | Very low | 38 Ų | 38 | 71 Ų | 71 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | cis | 170.6 | -178.6 | -5.8 | 45.2 | 0 | 0 | 0 | 0 | 106.8 | Q1401 N2067 C2070 | S1399-Q1401 PolarHBondContact O-N 3.25Å; S1399-N2067 PolarHBondContact O-OD1 2.71Å; S1399-C2070 PolarHBondContact O-SG 2.94Å; S1399-C2070 VanDerWaalsContact O-SG 3.36Å | ||
| 1400 | D | 41.8 | Very low | 39.8 | Very low | 99 Ų | 99 | 75.9 Ų | 75.9 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 63.1 | -19.9 | 151.2 | -47.4 | -33.6 | 0 | 0 | 0 | 118.8 | L1404 | D1400-L1404 WeakPolarHBondContact O-CB 3.41Å; D1400-L1404 WeakPolarHBondContact O-CD1 2.92Å; D1400-L1404 VanDerWaalsContact O-CG 3.3Å; D1400-L1404 WeakPolarHBondContact O-CG 3.16Å; D1400-L1404 PolarHBondContact O-N 2.79Å; D1400-L1404 VanDerWaalsContact O-N 3.14Å |
| 1401 | Q | 29.9 | Very low | 40.9 | Very low | 44 Ų | 44 | 76 Ų | 76 | 21% | 0.206 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -20.6 | -172.7 | -75.6 | 172.6 | 17.7 | 0 | 0 | 113.2 | S1399 L1404 K1405 L2063 K2066 N2067 C2070 | S1399-Q1401 PolarHBondContact O-N 3.25Å; Q1401-L1404 HydrophobicContact CG-CD1 3.87Å; Q1401-K1405 PolarHBondContact O-N 3.49Å; Q1401-L2063 WeakPolarHBondContact O-CB 3.16Å; Q1401-L2063 VanDerWaalsContact O-CD2 3.26Å; Q1401-L2063 WeakPolarHBondContact O-CD2 3.01Å; Q1401-K2066 HydrophobicContact CB-CB 3.78Å; Q1401-K2066 HydrophobicContact CG-CB 3.95Å; Q1401-K2066 VanDerWaalsContact OE1-CA 3.22Å; Q1401-K2066 PolarHBondContact OE1-O 3.5Å; Q1401-N2067 VanDerWaalsContact CA-OD1 3.26Å; Q1401-N2067 WeakPolarHBondContact CA-OD1 3.46Å; Q1401-N2067 VanDerWaalsContact CB-OD1 3.28Å; Q1401-N2067 WeakPolarHBondContact CB-OD1 3.14Å; Q1401-N2067 PolarHBondContact N-OD1 3.23Å; Q1401-C2070 HydrophobicContact CB-CB 4.49Å |
| 1402 | S | 48.8 | Very low | 41.4 | Very low | 61 Ų | 61 | 74.7 Ų | 74.7 | 43% | 0.427 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -29.4 | 161.2 | 62.7 | 0 | 0 | 0 | 0 | 112.3 | K1405 L1406 N2067 | S1402-K1405 VanDerWaalsContact O-CB 3.23Å; S1402-K1405 WeakPolarHBondContact O-CB 2.92Å; S1402-K1405 PolarHBondContact O-N 2.85Å; S1402-L1406 PolarHBondContact O-N 3.32Å; S1402-N2067 PolarHBondContact N-OD1 2.79Å |
| 1403 | E | 40.2 | Very low | 42.1 | Very low | 132 Ų | 132 | 78.8 Ų | 78.8 | 62% | 0.617 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.1 | -46.2 | 168.4 | -171.2 | 164.8 | -141.6 | 0 | 0 | 110.6 | K1405 L1406 E1407 | E1403-K1405 PolarHBondContact O-N 3.12Å; E1403-L1406 PolarHBondContact O-N 3.07Å; E1403-E1407 PolarHBondContact O-N 2.56Å |
| 1404 | L | 40.9 | Very low | 43.8 | Very low | 86 Ų | 86 | 79.8 Ų | 79.8 | 45% | 0.45 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.7 | -2.9 | 169.3 | -76.9 | 165.5 | 0 | 0 | 0 | 114.5 | D1400 Q1401 E1407 R1408 L2063 | D1400-L1404 WeakPolarHBondContact O-CB 3.41Å; D1400-L1404 WeakPolarHBondContact O-CD1 2.92Å; D1400-L1404 VanDerWaalsContact O-CG 3.3Å; D1400-L1404 WeakPolarHBondContact O-CG 3.16Å; D1400-L1404 PolarHBondContact O-N 2.79Å; D1400-L1404 VanDerWaalsContact O-N 3.14Å; Q1401-L1404 HydrophobicContact CG-CD1 3.87Å; L1404-E1407 HydrophobicContact CD2-CB 4.3Å; L1404-E1407 CarbonylContact O-C 3.57Å; L1404-R1408 VanDerWaalsContact O-CB 3.32Å; L1404-R1408 WeakPolarHBondContact O-CB 3.47Å; L1404-R1408 PolarHBondContact O-N 3.45Å; L1404-L2063 HydrophobicContact CB-CD2 3.57Å; L1404-L2063 WeakPolarHBondContact O-CD2 3.41Å |
| 1405 | K | 42.3 | Very low | 45.1 | Very low | 23 Ų | 23 | 82.1 Ų | 82.1 | 10% | 0.1 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -97 | -39.2 | 175.9 | -168.7 | -171 | -58 | 175.3 | 0 | 113 | Q1401 S1402 E1403 E1407 R1408 Q1409 S2059 S2060 L2063 | Q1401-K1405 PolarHBondContact O-N 3.49Å; S1402-K1405 VanDerWaalsContact O-CB 3.23Å; S1402-K1405 WeakPolarHBondContact O-CB 2.92Å; S1402-K1405 PolarHBondContact O-N 2.85Å; E1403-K1405 PolarHBondContact O-N 3.12Å; K1405-E1407 PolarHBondContact O-N 3.37Å; K1405-R1408 PolarHBondContact O-N 2.87Å; K1405-Q1409 WeakPolarHBondContact O-CB 2.89Å; K1405-Q1409 WeakPolarHBondContact O-CG 3.27Å; K1405-Q1409 PolarHBondContact O-N 2.86Å; K1405-S2059 WeakPolarHBondContact CE-O 3.29Å; K1405-S2059 WeakPolarHBondContact CG-O 3.34Å; K1405-S2060 PolarHBondContact NZ-OG 2.96Å; K1405-L2063 HydrophobicContact CB-CB 4.05Å; K1405-L2063 HydrophobicContact CB-CD1 4.17Å; K1405-L2063 WeakPolarHBondContact CE-O 3.34Å; K1405-L2063 HydrophobicContact CG-CB 4.35Å; K1405-L2063 HydrophobicContact CG-CD1 4.14Å; K1405-L2063 VanDerWaalsContact NZ-C 3.35Å; K1405-L2063 PolarHBondContact NZ-O 2.77Å |
| 1406 | L | 47.4 | Very low | 45.7 | Very low | 125 Ų | 125 | 82.1 Ų | 82.1 | 65% | 0.654 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58.5 | -33.8 | 158.4 | -81.5 | 138.6 | 0 | 0 | 0 | 109.6 | S1402 E1403 R1410 | S1402-L1406 PolarHBondContact O-N 3.32Å; E1403-L1406 PolarHBondContact O-N 3.07Å; L1406-R1410 WeakPolarHBondContact O-CG 3.02Å; L1406-R1410 PolarHBondContact O-N 2.87Å |
| 1407 | E | 53.1 | Low | 47.4 | Very low | 77 Ų | 77 | 85.3 Ų | 85.3 | 36% | 0.36 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -72.4 | -41.2 | 170.3 | -141.8 | 67.6 | -105.4 | 0 | 0 | 113.4 | E1403 L1404 K1405 R1410 L1411 | E1403-E1407 PolarHBondContact O-N 2.56Å; L1404-E1407 HydrophobicContact CD2-CB 4.3Å; L1404-E1407 CarbonylContact O-C 3.57Å; K1405-E1407 PolarHBondContact O-N 3.37Å; E1407-R1410 VanDerWaalsContact CD-NH1 3.34Å; E1407-R1410 CarbonylContact O-C 3.59Å; E1407-R1410 WeakPolarHBondContact O-CA 3.27Å; E1407-R1410 VanDerWaalsContact O-CB 3.29Å; E1407-R1410 WeakPolarHBondContact O-CB 3.36Å; E1407-R1410 PolarHBondContact O-N 2.76Å; E1407-R1410 VanDerWaalsContact O-N 3.14Å; E1407-R1410 WeakPolarHBondContact OE1-CD 3.37Å; E1407-R1410 IonicContact OE1-CZ 3.55Å; E1407-R1410 IonicContact OE1-NE 2.68Å; E1407-R1410 IonicContact OE1-NH1 3.23Å; E1407-R1410 PolarHBondContact OE1-NH1 3.45Å; E1407-R1410 IonicContact OE2-NH1 3.26Å; E1407-R1410 PolarHBondContact OE2-NH1 2.78Å; E1407-L1411 PolarHBondContact O-N 2.75Å |
| 1408 | R | 52.6 | Low | 49.1 | Very low | 100 Ų | 100 | 85.5 Ų | 85.5 | 38% | 0.377 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -74.5 | -24.8 | 177.6 | -121.6 | 170.9 | -177.1 | 171.2 | 1.8 | 113.7 | L1404 K1405 R1410 L1411 E1412 L2063 | L1404-R1408 VanDerWaalsContact O-CB 3.32Å; L1404-R1408 WeakPolarHBondContact O-CB 3.47Å; L1404-R1408 PolarHBondContact O-N 3.45Å; K1405-R1408 PolarHBondContact O-N 2.87Å; R1408-R1410 VanDerWaalsContact C-N 3.34Å; R1408-L1411 HydrophobicContact CG-CB 4.23Å; R1408-L1411 CarbonylContact O-C 3.59Å; R1408-L1411 PolarHBondContact O-N 3.01Å; R1408-L1411 VanDerWaalsContact O-N 3.15Å; R1408-E1412 WeakPolarHBondContact O-CB 3.04Å; R1408-E1412 WeakPolarHBondContact O-CG 3.14Å; R1408-E1412 PolarHBondContact O-N 2.99Å; R1408-L2063 HydrophobicContact CB-CD1 3.9Å; R1408-L2063 HydrophobicContact CG-CD1 4.45Å |
| 1409 | Q | 43.3 | Very low | 50.9 | Low | 60 Ų | 60 | 85.1 Ų | 85.1 | 28% | 0.28 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68.9 | -32.4 | 165.7 | -75 | -177 | -37.2 | 0 | 0 | 112.1 | K1405 L1411 L1413 S2056 | K1405-Q1409 WeakPolarHBondContact O-CB 2.89Å; K1405-Q1409 WeakPolarHBondContact O-CG 3.27Å; K1405-Q1409 PolarHBondContact O-N 2.86Å; Q1409-L1411 VanDerWaalsContact C-N 3.35Å; Q1409-L1413 WeakPolarHBondContact O-CB 3.18Å; Q1409-L1413 PolarHBondContact O-N 2.57Å; Q1409-S2056 PolarHBondContact NE2-OG 3.03Å |
| 1410 | R | 55 | Low | 52.2 | Low | 149 Ų | 149 | 87.7 Ų | 87.7 | 56% | 0.562 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.2 | -38.7 | 165.2 | -68.3 | 163.7 | 171.4 | 174.7 | 3.5 | 111.4 | L1406 E1407 R1408 L1413 D1414 | L1406-R1410 WeakPolarHBondContact O-CG 3.02Å; L1406-R1410 PolarHBondContact O-N 2.87Å; E1407-R1410 VanDerWaalsContact CD-NH1 3.34Å; E1407-R1410 CarbonylContact O-C 3.59Å; E1407-R1410 WeakPolarHBondContact O-CA 3.27Å; E1407-R1410 VanDerWaalsContact O-CB 3.29Å; E1407-R1410 WeakPolarHBondContact O-CB 3.36Å; E1407-R1410 PolarHBondContact O-N 2.76Å; E1407-R1410 VanDerWaalsContact O-N 3.14Å; E1407-R1410 WeakPolarHBondContact OE1-CD 3.37Å; E1407-R1410 IonicContact OE1-CZ 3.55Å; E1407-R1410 IonicContact OE1-NE 2.68Å; E1407-R1410 IonicContact OE1-NH1 3.23Å; E1407-R1410 PolarHBondContact OE1-NH1 3.45Å; E1407-R1410 IonicContact OE2-NH1 3.26Å; E1407-R1410 PolarHBondContact OE2-NH1 2.78Å; R1408-R1410 VanDerWaalsContact C-N 3.34Å; R1410-L1413 CarbonylContact O-C 3.47Å; R1410-L1413 WeakPolarHBondContact O-CA 3.41Å; R1410-L1413 WeakPolarHBondContact O-CB 3.22Å; R1410-L1413 PolarHBondContact O-N 3.11Å; R1410-D1414 PolarHBondContact O-N 2.95Å |
| 1411 | L | 59.9 | Low | 53.3 | Low | 87 Ų | 87 | 86.9 Ų | 86.9 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -76.3 | -29.4 | -177.7 | -130.1 | 165.5 | 0 | 0 | 0 | 113.4 | E1407 R1408 Q1409 D1414 Q1415 | E1407-L1411 PolarHBondContact O-N 2.75Å; R1408-L1411 HydrophobicContact CG-CB 4.23Å; R1408-L1411 CarbonylContact O-C 3.59Å; R1408-L1411 PolarHBondContact O-N 3.01Å; R1408-L1411 VanDerWaalsContact O-N 3.15Å; Q1409-L1411 VanDerWaalsContact C-N 3.35Å; L1411-D1414 CarbonylContact O-C 2.96Å; L1411-D1414 PolarHBondContact O-N 2.82Å; L1411-Q1415 HydrophobicContact CD2-CG 4.25Å; L1411-Q1415 WeakPolarHBondContact O-CB 3.31Å; L1411-Q1415 WeakPolarHBondContact O-CG 3.13Å; L1411-Q1415 PolarHBondContact O-N 3.31Å |
| 1412 | E | 47 | Very low | 55 | Low | 67 Ų | 67 | 87.2 Ų | 87.2 | 31% | 0.313 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -74.2 | -32.8 | 167.7 | -72.9 | 174.1 | 126.8 | 0 | 0 | 110.4 | R1408 D1414 T1416 S2059 | R1408-E1412 WeakPolarHBondContact O-CB 3.04Å; R1408-E1412 WeakPolarHBondContact O-CG 3.14Å; R1408-E1412 PolarHBondContact O-N 2.99Å; E1412-D1414 VanDerWaalsContact C-N 3.27Å; E1412-D1414 PolarHBondContact O-N 3.18Å; E1412-T1416 WeakPolarHBondContact O-CB 3.4Å; E1412-T1416 WeakPolarHBondContact O-CG2 3.44Å; E1412-T1416 PolarHBondContact O-N 2.85Å; E1412-T1416 PolarHBondContact O-OG1 3.31Å; E1412-S2059 VanDerWaalsContact CD-OG 3.28Å; E1412-S2059 PolarHBondContact OE1-OG 3.24Å; E1412-S2059 WeakPolarHBondContact OE2-CB 3.22Å; E1412-S2059 PolarHBondContact OE2-OG 3.21Å |
| 1413 | L | 51.1 | Low | 55.2 | Low | 108 Ų | 108 | 89.7 Ų | 89.7 | 57% | 0.565 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.5 | -31.5 | 164.2 | -106.9 | 149.4 | 0 | 0 | 0 | 112.9 | Q1409 R1410 T1416 K1417 | Q1409-L1413 WeakPolarHBondContact O-CB 3.18Å; Q1409-L1413 PolarHBondContact O-N 2.57Å; R1410-L1413 CarbonylContact O-C 3.47Å; R1410-L1413 WeakPolarHBondContact O-CA 3.41Å; R1410-L1413 WeakPolarHBondContact O-CB 3.22Å; R1410-L1413 PolarHBondContact O-N 3.11Å; L1413-T1416 VanDerWaalsContact CA-OG1 3.32Å; L1413-T1416 WeakPolarHBondContact CA-OG1 3.42Å; L1413-T1416 PolarHBondContact O-OG1 3.34Å; L1413-T1416 VanDerWaalsContact O-OG1 3.08Å; L1413-K1417 WeakPolarHBondContact O-CG 3.16Å; L1413-K1417 PolarHBondContact O-N 2.7Å; L1413-K1417 VanDerWaalsContact O-N 3.09Å |
| 1414 | D | 62.9 | Low | 56.6 | Low | 77 Ų | 77 | 87.9 Ų | 87.9 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -89.2 | -28.7 | 177.8 | -76.3 | -15.1 | 0 | 0 | 0 | 113.4 | R1410 L1411 E1412 K1417 A1418 | R1410-D1414 PolarHBondContact O-N 2.95Å; L1411-D1414 CarbonylContact O-C 2.96Å; L1411-D1414 PolarHBondContact O-N 2.82Å; E1412-D1414 VanDerWaalsContact C-N 3.27Å; E1412-D1414 PolarHBondContact O-N 3.18Å; D1414-K1417 CarbonylContact O-C 3.04Å; D1414-K1417 WeakPolarHBondContact O-CB 2.98Å; D1414-K1417 PolarHBondContact O-N 3.19Å; D1414-K1417 WeakPolarHBondContact OD1-CD 3.35Å; D1414-K1417 VanDerWaalsContact OD1-CE 3.28Å; D1414-K1417 WeakPolarHBondContact OD1-CE 3.01Å; D1414-K1417 IonicContact OD1-NZ 3.48Å; D1414-K1417 PolarHBondContact OD1-NZ 2.72Å; D1414-A1418 PolarHBondContact O-N 3.35Å |
| 1415 | Q | 59.7 | Low | 57.8 | Low | 127 Ų | 127 | 89.9 Ų | 89.9 | 59% | 0.593 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -74.4 | -30.5 | 168.7 | -74.8 | -174.1 | -21.9 | 0 | 0 | 111.9 | L1411 A1418 T1419 | L1411-Q1415 HydrophobicContact CD2-CG 4.25Å; L1411-Q1415 WeakPolarHBondContact O-CB 3.31Å; L1411-Q1415 WeakPolarHBondContact O-CG 3.13Å; L1411-Q1415 PolarHBondContact O-N 3.31Å; Q1415-A1418 PolarHBondContact O-N 3.27Å; Q1415-T1419 PolarHBondContact O-N 2.73Å; Q1415-T1419 PolarHBondContact O-OG1 2.91Å; Q1415-T1419 VanDerWaalsContact O-OG1 3.05Å |
| 1416 | T | 56 | Low | 58.6 | Low | 83 Ų | 83 | 94.7 Ų | 94.7 | 51% | 0.509 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.4 | -33.5 | 165.1 | 51.4 | 0 | 0 | 0 | 0 | 112 | E1412 L1413 T1419 L1420 | E1412-T1416 WeakPolarHBondContact O-CB 3.4Å; E1412-T1416 WeakPolarHBondContact O-CG2 3.44Å; E1412-T1416 PolarHBondContact O-N 2.85Å; E1412-T1416 PolarHBondContact O-OG1 3.31Å; L1413-T1416 VanDerWaalsContact CA-OG1 3.32Å; L1413-T1416 WeakPolarHBondContact CA-OG1 3.42Å; L1413-T1416 PolarHBondContact O-OG1 3.34Å; L1413-T1416 VanDerWaalsContact O-OG1 3.08Å; T1416-T1419 WeakPolarHBondContact CA-OG1 3.26Å; T1416-T1419 PolarHBondContact O-OG1 2.76Å; T1416-L1420 WeakPolarHBondContact O-CB 3.26Å; T1416-L1420 PolarHBondContact O-N 2.79Å |
| 1417 | K | 69.8 | Low | 58.8 | Low | 105 Ų | 105 | 93.1 Ų | 93.1 | 46% | 0.457 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 164.7 | -75.7 | 173.7 | -157.3 | 157.8 | 0 | 112.2 | L1413 D1414 T1419 L1420 D1421 | L1413-K1417 WeakPolarHBondContact O-CG 3.16Å; L1413-K1417 PolarHBondContact O-N 2.7Å; L1413-K1417 VanDerWaalsContact O-N 3.09Å; D1414-K1417 CarbonylContact O-C 3.04Å; D1414-K1417 WeakPolarHBondContact O-CB 2.98Å; D1414-K1417 PolarHBondContact O-N 3.19Å; D1414-K1417 WeakPolarHBondContact OD1-CD 3.35Å; D1414-K1417 VanDerWaalsContact OD1-CE 3.28Å; D1414-K1417 WeakPolarHBondContact OD1-CE 3.01Å; D1414-K1417 IonicContact OD1-NZ 3.48Å; D1414-K1417 PolarHBondContact OD1-NZ 2.72Å; K1417-T1419 PolarHBondContact O-N 3.4Å; K1417-L1420 CarbonylContact O-C 3.57Å; K1417-L1420 WeakPolarHBondContact O-CB 3.28Å; K1417-L1420 PolarHBondContact O-N 2.81Å; K1417-D1421 WeakPolarHBondContact O-CB 3.26Å; K1417-D1421 PolarHBondContact O-N 3.19Å |
| 1418 | A | 67.8 | Low | 59.3 | Low | 57 Ų | 57 | 92.9 Ų | 92.9 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1414 Q1415 D1421 A1422 | D1414-A1418 PolarHBondContact O-N 3.35Å; Q1415-A1418 PolarHBondContact O-N 3.27Å; A1418-D1421 PolarHBondContact O-N 3.12Å; A1418-A1422 WeakPolarHBondContact O-CB 3.46Å; A1418-A1422 PolarHBondContact O-N 2.67Å |
| 1419 | T | 66.2 | Low | 59.5 | Low | 83 Ų | 83 | 92.6 Ų | 92.6 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -73.7 | -33.9 | 171.7 | 47.4 | 0 | 0 | 0 | 0 | 112.6 | Q1415 T1416 K1417 D1421 A1422 Q1423 | Q1415-T1419 PolarHBondContact O-N 2.73Å; Q1415-T1419 PolarHBondContact O-OG1 2.91Å; Q1415-T1419 VanDerWaalsContact O-OG1 3.05Å; T1416-T1419 WeakPolarHBondContact CA-OG1 3.26Å; T1416-T1419 PolarHBondContact O-OG1 2.76Å; K1417-T1419 PolarHBondContact O-N 3.4Å; T1419-D1421 VanDerWaalsContact C-N 3.28Å; T1419-D1421 PolarHBondContact O-N 3.24Å; T1419-A1422 PolarHBondContact O-N 2.82Å; T1419-Q1423 WeakPolarHBondContact O-CB 3.44Å; T1419-Q1423 WeakPolarHBondContact O-CG 3.01Å; T1419-Q1423 PolarHBondContact O-N 2.87Å |
| 1420 | L | 61.5 | Low | 59.6 | Low | 92 Ų | 92 | 92.9 Ų | 92.9 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.2 | -31.4 | 170 | -168.2 | 82 | 0 | 0 | 0 | 112 | T1416 K1417 K1424 | T1416-L1420 WeakPolarHBondContact O-CB 3.26Å; T1416-L1420 PolarHBondContact O-N 2.79Å; K1417-L1420 CarbonylContact O-C 3.57Å; K1417-L1420 WeakPolarHBondContact O-CB 3.28Å; K1417-L1420 PolarHBondContact O-N 2.81Å; L1420-K1424 WeakPolarHBondContact O-CB 3.34Å; L1420-K1424 WeakPolarHBondContact O-CE 3.4Å; L1420-K1424 VanDerWaalsContact O-CG 3.23Å; L1420-K1424 WeakPolarHBondContact O-CG 3.33Å; L1420-K1424 PolarHBondContact O-N 3.41Å |
| 1421 | D | 64.9 | Low | 59.1 | Low | 82 Ų | 82 | 86.7 Ų | 86.7 | 44% | 0.439 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -81.9 | -37.1 | 176.3 | -75.3 | -29.6 | 0 | 0 | 0 | 111.8 | K1417 A1418 T1419 K1424 E1425 | K1417-D1421 WeakPolarHBondContact O-CB 3.26Å; K1417-D1421 PolarHBondContact O-N 3.19Å; A1418-D1421 PolarHBondContact O-N 3.12Å; T1419-D1421 VanDerWaalsContact C-N 3.28Å; T1419-D1421 PolarHBondContact O-N 3.24Å; D1421-K1424 CarbonylContact O-C 3.2Å; D1421-K1424 WeakPolarHBondContact O-CA 3.01Å; D1421-K1424 WeakPolarHBondContact O-CB 3.36Å; D1421-K1424 PolarHBondContact O-N 3.14Å; D1421-K1424 VanDerWaalsContact O-N 3.16Å; D1421-K1424 WeakPolarHBondContact OD1-CD 3.22Å; D1421-K1424 WeakPolarHBondContact OD1-CE 3.4Å; D1421-K1424 IonicContact OD1-NZ 3.08Å; D1421-K1424 PolarHBondContact OD1-NZ 3.32Å; D1421-E1425 PolarHBondContact O-N 2.63Å |
| 1422 | A | 65.2 | Low | 58.3 | Low | 51 Ų | 51 | 87.2 Ų | 87.2 | 42% | 0.421 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1418 T1419 K1424 E1425 E1426 | A1418-A1422 WeakPolarHBondContact O-CB 3.46Å; A1418-A1422 PolarHBondContact O-N 2.67Å; T1419-A1422 PolarHBondContact O-N 2.82Å; A1422-K1424 VanDerWaalsContact C-N 3.34Å; A1422-E1425 WeakPolarHBondContact O-CB 3.24Å; A1422-E1425 PolarHBondContact O-N 3.05Å; A1422-E1425 VanDerWaalsContact O-N 3.11Å; A1422-E1426 PolarHBondContact O-N 3.44Å |
| 1423 | Q | 52.9 | Low | 58 | Low | 112 Ų | 112 | 88.6 Ų | 88.6 | 52% | 0.523 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.4 | -29.3 | 171.5 | -74.7 | -176.4 | -13.1 | 0 | 0 | 112.3 | T1419 E1425 I1427 | T1419-Q1423 WeakPolarHBondContact O-CB 3.44Å; T1419-Q1423 WeakPolarHBondContact O-CG 3.01Å; T1419-Q1423 PolarHBondContact O-N 2.87Å; Q1423-E1425 VanDerWaalsContact C-N 3.32Å; Q1423-I1427 VanDerWaalsContact O-CB 3.25Å; Q1423-I1427 WeakPolarHBondContact O-CB 2.91Å; Q1423-I1427 WeakPolarHBondContact O-CD1 3.39Å; Q1423-I1427 WeakPolarHBondContact O-CG1 3.27Å; Q1423-I1427 PolarHBondContact O-N 3.4Å |
| 1424 | K | 68.2 | Low | 57.2 | Low | 95 Ų | 95 | 85 Ų | 85 | 41% | 0.413 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.8 | -36.1 | 166.5 | -79.6 | 167.7 | -139.7 | 158.7 | 0 | 111.6 | L1420 D1421 A1422 I1427 T1428 | L1420-K1424 WeakPolarHBondContact O-CB 3.34Å; L1420-K1424 WeakPolarHBondContact O-CE 3.4Å; L1420-K1424 VanDerWaalsContact O-CG 3.23Å; L1420-K1424 WeakPolarHBondContact O-CG 3.33Å; L1420-K1424 PolarHBondContact O-N 3.41Å; D1421-K1424 CarbonylContact O-C 3.2Å; D1421-K1424 WeakPolarHBondContact O-CA 3.01Å; D1421-K1424 WeakPolarHBondContact O-CB 3.36Å; D1421-K1424 PolarHBondContact O-N 3.14Å; D1421-K1424 VanDerWaalsContact O-N 3.16Å; D1421-K1424 WeakPolarHBondContact OD1-CD 3.22Å; D1421-K1424 WeakPolarHBondContact OD1-CE 3.4Å; D1421-K1424 IonicContact OD1-NZ 3.08Å; D1421-K1424 PolarHBondContact OD1-NZ 3.32Å; A1422-K1424 VanDerWaalsContact C-N 3.34Å; K1424-I1427 CarbonylContact O-C 3.5Å; K1424-I1427 PolarHBondContact O-N 2.84Å; K1424-T1428 PolarHBondContact O-N 3.23Å; K1424-T1428 PolarHBondContact O-OG1 2.91Å; K1424-T1428 VanDerWaalsContact O-OG1 3.08Å |
| 1425 | E | 67.8 | Low | 55.7 | Low | 128 Ų | 128 | 85.7 Ų | 85.7 | 60% | 0.598 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.8 | -45.7 | 177.4 | -169.6 | 163.4 | -158.8 | 0 | 0 | 111 | D1421 A1422 Q1423 T1428 N1429 | D1421-E1425 PolarHBondContact O-N 2.63Å; A1422-E1425 WeakPolarHBondContact O-CB 3.24Å; A1422-E1425 PolarHBondContact O-N 3.05Å; A1422-E1425 VanDerWaalsContact O-N 3.11Å; Q1423-E1425 VanDerWaalsContact C-N 3.32Å; E1425-T1428 VanDerWaalsContact CA-OG1 3.32Å; E1425-T1428 WeakPolarHBondContact CA-OG1 3.22Å; E1425-T1428 PolarHBondContact O-N 2.84Å; E1425-T1428 PolarHBondContact O-OG1 2.74Å; E1425-N1429 PolarHBondContact O-N 3.18Å; E1425-N1429 PolarHBondContact O-ND2 3.5Å |
| 1426 | E | 57.9 | Low | 54.4 | Low | 124 Ų | 124 | 84.5 Ų | 84.5 | 58% | 0.579 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -53.4 | -55.7 | 165.5 | -72 | -169.3 | 122.4 | 0 | 0 | 110.8 | A1422 T1428 N1429 L1430 | A1422-E1426 PolarHBondContact O-N 3.44Å; E1426-T1428 PolarHBondContact O-N 3.37Å; E1426-T1428 VanDerWaalsContact O-N 3.14Å; E1426-N1429 CarbonylContact O-C 3.08Å; E1426-N1429 WeakPolarHBondContact O-CA 2.94Å; E1426-N1429 WeakPolarHBondContact O-CB 3.34Å; E1426-N1429 PolarHBondContact O-N 2.81Å; E1426-L1430 WeakPolarHBondContact O-CB 3.31Å; E1426-L1430 VanDerWaalsContact O-CG 3.26Å; E1426-L1430 WeakPolarHBondContact O-CG 2.94Å; E1426-L1430 PolarHBondContact O-N 3.17Å |
| 1427 | I | 52.5 | Low | 53.1 | Low | 92 Ų | 92 | 86.8 Ų | 86.8 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -56.5 | -33.6 | 179.3 | -72.3 | 164.1 | 0 | 0 | 0 | 111.7 | Q1423 K1424 N1431 | Q1423-I1427 VanDerWaalsContact O-CB 3.25Å; Q1423-I1427 WeakPolarHBondContact O-CB 2.91Å; Q1423-I1427 WeakPolarHBondContact O-CD1 3.39Å; Q1423-I1427 WeakPolarHBondContact O-CG1 3.27Å; Q1423-I1427 PolarHBondContact O-N 3.4Å; K1424-I1427 CarbonylContact O-C 3.5Å; K1424-I1427 PolarHBondContact O-N 2.84Å; I1427-N1431 WeakPolarHBondContact CG2-ND2 3.31Å; I1427-N1431 WeakPolarHBondContact O-CB 3.34Å; I1427-N1431 PolarHBondContact O-N 2.66Å; I1427-N1431 PolarHBondContact O-ND2 2.83Å |
| 1428 | T | 63.5 | Low | 51.3 | Low | 72 Ų | 72 | 87.2 Ų | 87.2 | 44% | 0.442 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -73.1 | -39.4 | 172.5 | 46.1 | 0 | 0 | 0 | 0 | 112.9 | K1424 E1425 E1426 L1430 N1431 N1432 | K1424-T1428 PolarHBondContact O-N 3.23Å; K1424-T1428 PolarHBondContact O-OG1 2.91Å; K1424-T1428 VanDerWaalsContact O-OG1 3.08Å; E1425-T1428 VanDerWaalsContact CA-OG1 3.32Å; E1425-T1428 WeakPolarHBondContact CA-OG1 3.22Å; E1425-T1428 PolarHBondContact O-N 2.84Å; E1425-T1428 PolarHBondContact O-OG1 2.74Å; E1426-T1428 PolarHBondContact O-N 3.37Å; E1426-T1428 VanDerWaalsContact O-N 3.14Å; T1428-L1430 VanDerWaalsContact C-N 3.34Å; T1428-L1430 PolarHBondContact O-N 3.34Å; T1428-N1431 PolarHBondContact O-N 2.95Å; T1428-N1432 VanDerWaalsContact O-CB 3.26Å; T1428-N1432 WeakPolarHBondContact O-CB 3.25Å; T1428-N1432 PolarHBondContact O-N 2.91Å; T1428-N1432 PolarHBondContact O-ND2 2.94Å |
| 1429 | N | 56.7 | Low | 49.5 | Very low | 94 Ų | 94 | 87.3 Ų | 87.3 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 173.9 | -71.8 | -36.1 | 0 | 0 | 0 | 111.2 | E1425 E1426 N1432 L1433 | E1425-N1429 PolarHBondContact O-N 3.18Å; E1425-N1429 PolarHBondContact O-ND2 3.5Å; E1426-N1429 CarbonylContact O-C 3.08Å; E1426-N1429 WeakPolarHBondContact O-CA 2.94Å; E1426-N1429 WeakPolarHBondContact O-CB 3.34Å; E1426-N1429 PolarHBondContact O-N 2.81Å; N1429-N1432 PolarHBondContact O-N 3.09Å; N1429-L1433 WeakPolarHBondContact O-CB 3.25Å; N1429-L1433 PolarHBondContact O-N 2.85Å |
| 1430 | L | 45.9 | Very low | 47.6 | Very low | 66 Ų | 66 | 89.6 Ų | 89.6 | 35% | 0.346 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 173.4 | -62 | -170.4 | 0 | 0 | 0 | 112.3 | E1426 T1428 L1433 L1434 V2278 | E1426-L1430 WeakPolarHBondContact O-CB 3.31Å; E1426-L1430 VanDerWaalsContact O-CG 3.26Å; E1426-L1430 WeakPolarHBondContact O-CG 2.94Å; E1426-L1430 PolarHBondContact O-N 3.17Å; T1428-L1430 VanDerWaalsContact C-N 3.34Å; T1428-L1430 PolarHBondContact O-N 3.34Å; L1430-L1433 PolarHBondContact O-N 2.48Å; L1430-L1434 WeakPolarHBondContact O-CB 3.35Å; L1430-L1434 PolarHBondContact O-N 2.89Å; L1430-V2278 HydrophobicContact CD1-CB 4.38Å; L1430-V2278 HydrophobicContact CD1-CG1 3.86Å; L1430-V2278 HydrophobicContact CD2-CB 3.82Å; L1430-V2278 HydrophobicContact CD2-CG1 3.73Å; L1430-V2278 HydrophobicContact CD2-CG2 3.49Å; L1430-V2278 VanDerWaalsContact CD2-CG2 3.49Å; L1430-V2278 HydrophobicContact CG-CG1 4.41Å |
| 1431 | N | 43.2 | Very low | 46.1 | Very low | 19 Ų | 19 | 89 Ų | 89 | 10% | 0.102 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -67 | -37.3 | 175.9 | -89.5 | -89.3 | 0 | 0 | 0 | 112.4 | I1427 T1428 N1435 K2274 I2275 | I1427-N1431 WeakPolarHBondContact CG2-ND2 3.31Å; I1427-N1431 WeakPolarHBondContact O-CB 3.34Å; I1427-N1431 PolarHBondContact O-N 2.66Å; I1427-N1431 PolarHBondContact O-ND2 2.83Å; T1428-N1431 PolarHBondContact O-N 2.95Å; N1431-N1435 VanDerWaalsContact O-CB 3.3Å; N1431-N1435 WeakPolarHBondContact O-CB 3.17Å; N1431-N1435 PolarHBondContact O-N 2.7Å; N1431-N1435 PolarHBondContact O-ND2 2.93Å; N1431-K2274 WeakPolarHBondContact OD1-CD 3.44Å; N1431-K2274 WeakPolarHBondContact OD1-CE 3.2Å; N1431-K2274 PolarHBondContact OD1-NZ 2.84Å; N1431-I2275 WeakPolarHBondContact OD1-CD1 3.43Å |
| 1432 | N | 43.2 | Very low | 44.5 | Very low | 98 Ų | 98 | 86.1 Ų | 86.1 | 52% | 0.524 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.1 | -49.5 | 176.4 | -70.5 | -21.7 | 0 | 0 | 0 | 109.5 | T1428 N1429 L1434 N1435 S1436 | T1428-N1432 VanDerWaalsContact O-CB 3.26Å; T1428-N1432 WeakPolarHBondContact O-CB 3.25Å; T1428-N1432 PolarHBondContact O-N 2.91Å; T1428-N1432 PolarHBondContact O-ND2 2.94Å; N1429-N1432 PolarHBondContact O-N 3.09Å; N1432-L1434 PolarHBondContact O-N 2.62Å; N1432-N1435 PolarHBondContact O-N 3.49Å; N1432-S1436 WeakPolarHBondContact O-CB 2.9Å; N1432-S1436 PolarHBondContact O-N 2.8Å; N1432-S1436 PolarHBondContact O-OG 2.61Å; N1432-S1436 VanDerWaalsContact O-OG 3.11Å |
| 1433 | L | 41.2 | Very low | 42.8 | Very low | 95 Ų | 95 | 88.4 Ų | 88.4 | 50% | 0.497 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 178.1 | -165.3 | 73.6 | 0 | 0 | 0 | 112.4 | N1429 L1430 S1436 L1437 V2278 | N1429-L1433 WeakPolarHBondContact O-CB 3.25Å; N1429-L1433 PolarHBondContact O-N 2.85Å; L1430-L1433 PolarHBondContact O-N 2.48Å; L1433-S1436 WeakPolarHBondContact O-CB 2.88Å; L1433-S1436 PolarHBondContact O-N 2.63Å; L1433-L1437 HydrophobicContact CG-CD1 4.3Å; L1433-L1437 PolarHBondContact O-N 3.49Å; L1433-V2278 HydrophobicContact CD2-CG2 4.39Å |
| 1434 | L | 34.5 | Very low | 42.2 | Very low | 33 Ų | 33 | 86.5 Ų | 86.5 | 17% | 0.173 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -72.7 | -38.1 | -178.5 | -165.7 | 73.2 | 0 | 0 | 0 | 113 | L1430 N1432 S1436 L1437 L1438 I2275 N2277 | L1430-L1434 WeakPolarHBondContact O-CB 3.35Å; L1430-L1434 PolarHBondContact O-N 2.89Å; N1432-L1434 PolarHBondContact O-N 2.62Å; L1434-S1436 PolarHBondContact O-N 2.87Å; L1434-L1437 PolarHBondContact O-N 3.5Å; L1434-L1438 HydrophobicContact CD1-CB 4.34Å; L1434-L1438 HydrophobicContact CD1-CD1 4.07Å; L1434-L1438 PolarHBondContact O-N 2.72Å; L1434-I2275 HydrophobicContact CD2-CB 4.43Å; L1434-I2275 HydrophobicContact CD2-CD1 3.5Å; L1434-I2275 VanDerWaalsContact CD2-CD1 3.5Å; L1434-I2275 HydrophobicContact CD2-CG1 3.4Å; L1434-I2275 VanDerWaalsContact CD2-CG1 3.4Å; L1434-I2275 HydrophobicContact CD2-CG2 4.25Å; L1434-N2277 HydrophobicContact CD1-CB 4.09Å |
| 1435 | N | 32 | Very low | 40.8 | Very low | 91 Ų | 91 | 85.8 Ų | 85.8 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.4 | -27.3 | 172.6 | -74.9 | -67.9 | 0 | 0 | 0 | 111.9 | N1431 N1432 | N1431-N1435 VanDerWaalsContact O-CB 3.3Å; N1431-N1435 WeakPolarHBondContact O-CB 3.17Å; N1431-N1435 PolarHBondContact O-N 2.7Å; N1431-N1435 PolarHBondContact O-ND2 2.93Å; N1432-N1435 PolarHBondContact O-N 3.49Å |
| 1436 | S | 32.1 | Very low | 39.4 | Very low | 102 Ų | 102 | 81.8 Ų | 81.8 | 71% | 0.713 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -74.3 | -17.3 | 172.2 | -72 | 0 | 0 | 0 | 0 | 114.7 | N1432 L1433 L1434 | N1432-S1436 WeakPolarHBondContact O-CB 2.9Å; N1432-S1436 PolarHBondContact O-N 2.8Å; N1432-S1436 PolarHBondContact O-OG 2.61Å; N1432-S1436 VanDerWaalsContact O-OG 3.11Å; L1433-S1436 WeakPolarHBondContact O-CB 2.88Å; L1433-S1436 PolarHBondContact O-N 2.63Å; L1434-S1436 PolarHBondContact O-N 2.87Å |
| 1437 | L | 28.2 | Very low | 38.2 | Very low | 131 Ų | 131 | 78.6 Ų | 78.6 | 69% | 0.686 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -116.6 | -36.4 | -174.2 | -80.9 | 167.2 | 0 | 0 | 0 | 115.7 | L1433 L1434 | L1433-L1437 HydrophobicContact CG-CD1 4.3Å; L1433-L1437 PolarHBondContact O-N 3.49Å; L1434-L1437 PolarHBondContact O-N 3.5Å |
| 1438 | L | 31.9 | Very low | 37.7 | Very low | 114 Ų | 114 | 79.5 Ų | 79.5 | 60% | 0.597 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -127.3 | 6.3 | -169.1 | -74.7 | 176.4 | 0 | 0 | 0 | 116.3 | L1434 L1440 | L1434-L1438 HydrophobicContact CD1-CB 4.34Å; L1434-L1438 HydrophobicContact CD1-CD1 4.07Å; L1434-L1438 PolarHBondContact O-N 2.72Å; L1438-L1440 VanDerWaalsContact C-N 3.3Å; L1438-L1440 PolarHBondContact O-N 3.18Å |
| 1439 | G | 29.1 | Very low | 36.6 | Very low | 59 Ų | 59 | 82.9 Ų | 82.9 | 61% | 0.608 | 47% | 0.473 | S | S | * | . | trans | 60.7 | 29.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1440 | L | 28.1 | Very low | 35.2 | Very low | 132 Ų | 132 | 84.3 Ų | 84.3 | 69% | 0.691 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 107.7 | 133.3 | 176 | -61.7 | 166.8 | 0 | 0 | 0 | 116.4 | L1438 | L1438-L1440 VanDerWaalsContact C-N 3.3Å; L1438-L1440 PolarHBondContact O-N 3.18Å |
| 1441 | N | 29 | Very low | 34.9 | Very low | 78 Ų | 78 | 87.2 Ų | 87.2 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | trans | 90.7 | 130.5 | 137.8 | -108.6 | 80.2 | 0 | 0 | 0 | 121.1 | L2273 | N1441-L2273 WeakPolarHBondContact OD1-CD1 2.98Š| ||
| 1442 | P | 30.9 | Very low | 35.3 | Very low | 22 Ų | 22 | 94.2 Ų | 94.2 | 14% | 0.143 | 52% | 0.516 | C | S | . | . | trans | -73.1 | -174.6 | 147.9 | 37.4 | -36.3 | 0 | 0 | 0 | 110.3 | D1444 | P1442-D1444 WeakPolarHBondContact CA-O 3.21Å; P1442-D1444 WeakPolarHBondContact CB-O 3.17Å | ||
| 1443 | N | 29.8 | Very low | 35.7 | Very low | 99 Ų | 99 | 96.7 Ų | 96.7 | 53% | 0.529 | 53% | 0.529 | S | S | . | . | 80.5 | 73.8 | -125.9 | -49.5 | -32.9 | 0 | 0 | 0 | 107.7 | V2451 | N1443-V2451 HydrophobicContact CB-CG2 3.73Å; N1443-V2451 VanDerWaalsContact OD1-CG1 3.25Å; N1443-V2451 WeakPolarHBondContact OD1-CG1 3.29Å; N1443-V2451 VanDerWaalsContact OD1-CG2 3.32Å; N1443-V2451 WeakPolarHBondContact OD1-CG2 3.5Å | |||
| 1444 | D | 40.4 | Very low | 35.4 | Very low | 73 Ų | 73 | 96.5 Ų | 96.5 | 39% | 0.39 | 53% | 0.525 | S | S | . | . | cis | -87.1 | -174.2 | 15.8 | -71.3 | -59.5 | 0 | 0 | 0 | 115.5 | P1442 Y2449 T2450 | P1442-D1444 WeakPolarHBondContact CA-O 3.21Å; P1442-D1444 WeakPolarHBondContact CB-O 3.17Å; D1444-Y2449 HydrophobicContact CB-CD1 4.33Å; D1444-Y2449 VanDerWaalsContact OD1-CB 3.29Å; D1444-Y2449 WeakPolarHBondContact OD1-CB 3.47Å; D1444-T2450 WeakPolarHBondContact CA-OG1 3.33Å; D1444-T2450 WeakPolarHBondContact CB-OG1 3.41Å; D1444-T2450 VanDerWaalsContact CG-OG1 3.29Å; D1444-T2450 WeakPolarHBondContact OD1-CB 2.91Å; D1444-T2450 PolarHBondContact OD1-N 2.97Å; D1444-T2450 PolarHBondContact OD1-OG1 3.01Å | ||
| 1445 | V | 38.6 | Very low | 36.1 | Very low | 79 Ų | 79 | 97.8 Ų | 97.8 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | cis | -140.2 | 144.5 | 20 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | Y2449 T2450 | V1445-Y2449 HydrophobicContact CB-CD1 4.45Å; V1445-Y2449 HydrophobicContact CG1-CD1 3.94Å; V1445-Y2449 HydrophobicContact CG1-CE1 3.89Å; V1445-T2450 WeakPolarHBondContact CA-OG1 3.4Å; V1445-T2450 PolarHBondContact N-OG1 3.01Å | ||
| 1446 | S | 38 | Very low | 37.1 | Very low | 45 Ų | 45 | 94.7 Ų | 94.7 | 32% | 0.315 | 52% | 0.524 | S | S | . | . | cis | -175.6 | 128.1 | -26.3 | 41.3 | 0 | 0 | 0 | 0 | 114.6 | T2450 | S1446-T2450 VanDerWaalsContact CA-OG1 3.23Å; S1446-T2450 WeakPolarHBondContact CA-OG1 3.21Å; S1446-T2450 WeakPolarHBondContact CB-OG1 3.14Å | ||
| 1447 | P | 33.5 | Very low | 36.9 | Very low | 57 Ų | 57 | 94.9 Ų | 94.9 | 37% | 0.37 | 52% | 0.517 | S | S | . | . | trans | -128.4 | 98.3 | 174.7 | 38.6 | -21.4 | 0 | 0 | 0 | 115.7 | L1450 | P1447-L1450 HydrophobicContact CB-CB 4.16Å; P1447-L1450 HydrophobicContact CB-CD2 4.4Å | ||
| 1448 | N | 42.7 | Very low | 37.7 | Very low | 110 Ų | 110 | 91 Ų | 91 | 59% | 0.588 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -149.6 | -36.3 | 150.1 | -139.2 | -25.1 | 0 | 0 | 0 | 110.6 | L1450 Q1451 | N1448-L1450 PolarHBondContact O-N 2.74Å; N1448-Q1451 PolarHBondContact O-N 2.71Å |
| 1449 | D | 38.8 | Very low | 38.8 | Very low | 144 Ų | 144 | 86.5 Ų | 86.5 | 77% | 0.77 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -60.4 | -23.8 | 161.3 | -54.4 | -62.2 | 0 | 0 | 0 | 112.2 | Q1451 | D1449-Q1451 PolarHBondContact O-N 2.76Š|
| 1450 | L | 29.1 | Very low | 38.5 | Very low | 123 Ų | 123 | 88.8 Ų | 88.8 | 64% | 0.644 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -67.4 | -12.2 | 173.7 | -166.2 | 136.2 | 0 | 0 | 0 | 113.6 | P1447 N1448 | P1447-L1450 HydrophobicContact CB-CB 4.16Å; P1447-L1450 HydrophobicContact CB-CD2 4.4Å; N1448-L1450 PolarHBondContact O-N 2.74Å |
| 1451 | Q | 39 | Very low | 38.9 | Very low | 128 Ų | 128 | 85.2 Ų | 85.2 | 60% | 0.598 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -123.6 | 15.7 | -169.6 | -118.2 | 175.5 | -13.6 | 0 | 0 | 114.6 | N1448 D1449 | N1448-Q1451 PolarHBondContact O-N 2.71Å; D1449-Q1451 PolarHBondContact O-N 2.76Å |
| 1452 | R | 52.3 | Low | 39.2 | Very low | 165 Ų | 165 | 82.2 Ų | 82.2 | 62% | 0.623 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -125.9 | -6.3 | -173.4 | -108.9 | -178.1 | 173.5 | -171.3 | -2.7 | 119.4 | H2466 | R1452-H2466 PolarHBondContact NH2-NE2 3.03Š|
| 1453 | L | 50.2 | Low | 39.3 | Very low | 151 Ų | 151 | 84.3 Ų | 84.3 | 79% | 0.791 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -118.9 | 12.3 | 164.2 | -67.7 | 174.3 | 0 | 0 | 0 | 112.6 | ||
| 1454 | Q | 36.2 | Very low | 39.4 | Very low | 90 Ų | 90 | 85.1 Ų | 85.1 | 42% | 0.421 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -81.6 | -2.6 | 156.8 | -158.1 | 173 | 31.4 | 0 | 0 | 111.4 | L1457 N2033 | Q1454-L1457 HydrophobicContact CG-CD1 4.41Å; Q1454-L1457 WeakPolarHBondContact O-CB 3.14Å; Q1454-N2033 PolarHBondContact NE2-ND2 2.71Å |
| 1455 | V | 48.1 | Very low | 39 | Very low | 61 Ų | 61 | 82.7 Ų | 82.7 | 37% | 0.37 | 43% | 0.429 | S | S | . | . | trans | -84.3 | 127.1 | 162.5 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1456 | G | 52.9 | Low | 38.4 | Very low | 25 Ų | 25 | 79.8 Ų | 79.8 | 26% | 0.258 | 41% | 0.412 | S | S | . | . | trans | 87.7 | 48.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q1950 | G1456-Q1950 PolarHBondContact O-NE2 2.67Š| ||
| 1457 | L | 29.1 | Very low | 37.9 | Very low | 107 Ų | 107 | 78.9 Ų | 78.9 | 56% | 0.56 | 40% | 0.404 | S | S | * | . | cis | 26.6 | 46.9 | 11.1 | -137.2 | -177.8 | 0 | 0 | 0 | 115.4 | Q1454 | Q1454-L1457 HydrophobicContact CG-CD1 4.41Å; Q1454-L1457 WeakPolarHBondContact O-CB 3.14Å | ||
| 1458 | L | 44.4 | Very low | 37.5 | Very low | 50 Ų | 50 | 78.9 Ų | 78.9 | 26% | 0.262 | 41% | 0.405 | S | S | . | . | trans | -165.7 | 128.3 | 169.8 | -134.3 | 45.7 | 0 | 0 | 0 | 105 | K1953 Q1957 | L1458-K1953 WeakPolarHBondContact O-CD 3.41Å; L1458-K1953 WeakPolarHBondContact O-CE 3.33Å; L1458-K1953 PolarHBondContact O-NZ 2.8Å; L1458-Q1957 VanDerWaalsContact CG-NE2 3.33Å | ||
| 1459 | D | 55 | Low | 36.7 | Very low | 18 Ų | 18 | 75.2 Ų | 75.2 | 10% | 0.096 | 39% | 0.389 | C | S | . | . | S | Bend | trans | 51.8 | 62.2 | 169.7 | -23.8 | -45.5 | 0 | 0 | 0 | 117.2 | H1461 K1462 K1953 Q1957 | D1459-H1461 CarbonylContact C-O 3.5Å; D1459-H1461 VanDerWaalsContact C-O 3.3Å; D1459-H1461 WeakPolarHBondContact CA-O 3.46Å; D1459-H1461 VanDerWaalsContact CB-O 3.28Å; D1459-H1461 WeakPolarHBondContact CB-O 2.94Å; D1459-K1462 HydrophobicContact CB-CB 4.4Å; D1459-K1462 VanDerWaalsContact OD1-CD 3.31Å; D1459-K1462 WeakPolarHBondContact OD1-CD 2.97Å; D1459-K1462 WeakPolarHBondContact OD1-CE 3.47Å; D1459-K1953 HydrophobicContact CB-CD 3.59Å; D1459-K1953 HydrophobicContact CB-CG 4.15Å; D1459-K1953 WeakPolarHBondContact O-CE 3.39Å; D1459-K1953 PolarHBondContact O-NZ 3.14Å; D1459-K1953 WeakPolarHBondContact OD2-CD 3.44Å; D1459-K1953 WeakPolarHBondContact OD2-CG 3.34Å; D1459-Q1957 PolarHBondContact OD2-NE2 2.72Å |
| 1460 | L | 23.1 | Very low | 36.1 | Very low | 108 Ų | 108 | 69.3 Ų | 69.3 | 57% | 0.565 | 36% | 0.358 | S | S | * | . | S | Bend | -48.9 | 139.4 | 53.5 | -179.5 | 67.4 | 0 | 0 | 0 | 114.8 | A2320 | L1460-A2320 HydrophobicContact CD1-CB 3.67Š| |
| 1461 | H | 36.5 | Very low | 35.8 | Very low | 56 Ų | 56 | 63.6 Ų | 63.6 | 26% | 0.259 | 33% | 0.328 | S | S | . | . | S | Bend | 78.7 | 147.4 | -129.9 | -144.9 | 34.4 | 0 | 0 | 0 | 110.4 | D1459 S2480 L2481 | D1459-H1461 CarbonylContact C-O 3.5Å; D1459-H1461 VanDerWaalsContact C-O 3.3Å; D1459-H1461 WeakPolarHBondContact CA-O 3.46Å; D1459-H1461 VanDerWaalsContact CB-O 3.28Å; D1459-H1461 WeakPolarHBondContact CB-O 2.94Å; H1461-S2480 WeakPolarHBondContact CA-OG 3.4Å; H1461-S2480 PolarHBondContact ND1-O 3.11Å; H1461-S2480 PolarHBondContact ND1-OG 3.36Å; H1461-S2480 VanDerWaalsContact ND1-OG 3.16Å; H1461-L2481 WeakPolarHBondContact CE1-CD2 3.42Å; H1461-L2481 WeakPolarHBondContact CE1-CG 3.48Å; H1461-L2481 VanDerWaalsContact NE2-CG 3.35Å; H1461-L2481 WeakPolarHBondContact NE2-CG 3.48Å | |
| 1462 | K | 34.2 | Very low | 35.4 | Very low | 15 Ų | 15 | 64.8 Ų | 64.8 | 7% | 0.065 | 33% | 0.328 | C | S | . | . | trans | 59.4 | 133.1 | 161.8 | -34 | -179 | -173.8 | -80 | 0 | 119.2 | D1459 E2327 N2473 N2477 S2480 | D1459-K1462 HydrophobicContact CB-CB 4.4Å; D1459-K1462 VanDerWaalsContact OD1-CD 3.31Å; D1459-K1462 WeakPolarHBondContact OD1-CD 2.97Å; D1459-K1462 WeakPolarHBondContact OD1-CE 3.47Å; K1462-E2327 WeakPolarHBondContact CA-OE2 3.47Å; K1462-E2327 PolarHBondContact N-OE2 3.21Å; K1462-N2473 VanDerWaalsContact CD-OD1 3.24Å; K1462-N2473 WeakPolarHBondContact CD-OD1 3.43Å; K1462-N2473 WeakPolarHBondContact CE-OD1 3.12Å; K1462-N2473 PolarHBondContact NZ-OD1 2.91Å; K1462-N2477 HydrophobicContact CB-CB 3.85Å; K1462-N2477 HydrophobicContact CD-CB 3.97Å; K1462-N2477 HydrophobicContact CG-CB 3.86Å; K1462-N2477 WeakPolarHBondContact CG-OD1 3.2Å; K1462-N2477 PolarHBondContact NZ-OD1 2.74Å; K1462-S2480 WeakPolarHBondContact CA-O 3.45Å; K1462-S2480 WeakPolarHBondContact CG-O 3.13Å; K1462-S2480 PolarHBondContact N-O 3.41Å; K1462-S2480 PolarHBondContact N-OG 2.74Å | ||
| 1463 | H | 34.4 | Very low | 34.4 | Very low | 66 Ų | 66 | 58.4 Ų | 58.4 | 31% | 0.306 | 31% | 0.308 | S | S | . | . | trans | 99 | 110.4 | 151.3 | -51 | 122.1 | 0 | 0 | 0 | 114.7 | N2473 H2476 N2477 | H1463-N2473 VanDerWaalsContact NE2-C 3.28Å; H1463-N2473 VanDerWaalsContact NE2-CA 3.34Å; H1463-N2473 WeakPolarHBondContact NE2-CA 3.32Å; H1463-H2476 WeakPolarHBondContact CA-O 3.13Å; H1463-H2476 PolarHBondContact N-O 3.31Å; H1463-N2477 PolarHBondContact CD2-N 3.5Å; H1463-N2477 VanDerWaalsContact N-N 3.11Å | ||
| 1464 | M | 31.7 | Very low | 33.5 | Very low | 116 Ų | 116 | 53.7 Ų | 53.7 | 57% | 0.571 | 28% | 0.282 | S | S | * | . | cis | -146.4 | 139.1 | 8.7 | -76 | -172.8 | 53.8 | 0 | 0 | 114.3 | F2475 H2476 | M1464-F2475 VanDerWaalsContact CE-O 3.27Å; M1464-F2475 WeakPolarHBondContact CE-O 3.49Å; M1464-F2475 VanDerWaalsContact CG-O 3.32Å; M1464-F2475 WeakPolarHBondContact CG-O 3.45Å; M1464-H2476 WeakPolarHBondContact CA-O 3.13Å | ||
| 1465 | Q | 31.6 | Very low | 33.2 | Very low | 23 Ų | 23 | 53.3 Ų | 53.3 | 11% | 0.107 | 28% | 0.277 | C | S | . | . | trans | 70.3 | 92.6 | 143.1 | -60.5 | -89.4 | -32.5 | 0 | 0 | 118.1 | F2475 H2476 S2496 | Q1465-F2475 WeakPolarHBondContact CG-O 3.27Å; Q1465-F2475 PolarHBondContact NE2-O 2.76Å; Q1465-F2475 VanDerWaalsContact NE2-O 3.08Å; Q1465-H2476 HydrophobicContact CG-CB 4.06Å; Q1465-H2476 PolarHBondContact NE2-CD2 2.72Å; Q1465-H2476 PolarHBondContact OE1-CD2 2.67Å; Q1465-S2496 VanDerWaalsContact OE1-CB 3.25Å; Q1465-S2496 PolarHBondContact OE1-OG 3.02Å | ||
| 1466 | P | 26.1 | Very low | 32.8 | Very low | 18 Ų | 18 | 51.3 Ų | 51.3 | 12% | 0.117 | 26% | 0.264 | C | S | . | . | -110.3 | 171.5 | 111.9 | -5.5 | 19.6 | 0 | 0 | 0 | 111.7 | E2327 E2328 N2331 H2476 V2478 | P1466-E2327 WeakPolarHBondContact CD-O 2.94Å; P1466-E2327 WeakPolarHBondContact CG-O 3.44Å; P1466-E2328 HydrophobicContact CB-CG 4.43Å; P1466-E2328 HydrophobicContact CG-CB 4.42Å; P1466-E2328 HydrophobicContact CG-CG 3.41Å; P1466-E2328 VanDerWaalsContact CG-CG 3.41Å; P1466-N2331 WeakPolarHBondContact CB-ND2 3.37Å; P1466-N2331 VanDerWaalsContact CD-ND2 3.32Å; P1466-N2331 WeakPolarHBondContact CD-ND2 3.33Å; P1466-N2331 WeakPolarHBondContact CG-ND2 3.22Å; P1466-N2331 PolarHBondContact O-ND2 2.87Å; P1466-H2476 PolarHBondContact O-CD2 3.37Å; P1466-V2478 WeakPolarHBondContact O-CG1 3.46Å | |||
| 1467 | D | 27.1 | Very low | 31.5 | Very low | 25 Ų | 25 | 51.5 Ų | 51.5 | 13% | 0.134 | 26% | 0.257 | C | S | . | . | -161 | 154.5 | 129.7 | -160.5 | -38.5 | 0 | 0 | 0 | 107.3 | N2331 D2335 V2478 Q2479 | D1467-N2331 HydrophobicContact CB-CB 3.86Å; D1467-N2331 VanDerWaalsContact CG-O 3.29Å; D1467-N2331 VanDerWaalsContact OD1-C 3.23Å; D1467-N2331 WeakPolarHBondContact OD2-CB 3.26Å; D1467-D2335 HydrophobicContact CB-CB 4Å; D1467-D2335 VanDerWaalsContact CB-CG 3.46Å; D1467-D2335 WeakPolarHBondContact OD1-CB 3.46Å; D1467-D2335 PolarHBondContact OD1-N 2.72Å; D1467-D2335 VanDerWaalsContact OD1-N 3.09Å; D1467-D2335 PolarHBondContact OD2-N 3.49Å; D1467-V2478 HydrophobicContact CB-CG1 4.1Å; D1467-Q2479 PolarHBondContact OD2-NE2 3.11Å | |||
| 1468 | C | 24.8 | Very low | 31.4 | Very low | 58 Ų | 58 | 49.7 Ų | 49.7 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | trans | -133.5 | 145.3 | 167.5 | -42.7 | 0 | 0 | 0 | 0 | 112.4 | R2332 L2336 | C1468-R2332 HydrophobicContact CB-CG 3.58Å; C1468-R2332 VanDerWaalsContact SG-CD 3.54Å; C1468-L2336 WeakPolarHBondContact O-CA 3.04Å; C1468-L2336 WeakPolarHBondContact O-CB 2.97Å; C1468-L2336 VanDerWaalsContact O-CD2 3.28Å; C1468-L2336 WeakPolarHBondContact O-CD2 2.93Å; C1468-L2336 VanDerWaalsContact O-CG 3.29Å; C1468-L2336 WeakPolarHBondContact O-CG 3.37Å; C1468-L2336 PolarHBondContact O-N 2.79Å | ||
| 1469 | A | 26.8 | Very low | 30.6 | Very low | 32 Ų | 32 | 48.7 Ų | 48.7 | 26% | 0.264 | 24% | 0.24 | S | C | . | . | trans | -114.3 | 136.9 | -151 | 0 | 0 | 0 | 0 | 0 | 112.9 | D2335 Q2339 | A1469-D2335 WeakPolarHBondContact CA-O 3.46Å; A1469-D2335 HydrophobicContact CB-CB 3.69Å; A1469-Q2339 HydrophobicContact CB-CB 3.66Å; A1469-Q2339 HydrophobicContact CB-CG 4.39Å; A1469-Q2339 VanDerWaalsContact CB-NE2 3.33Å | ||
| 1470 | N | 24.9 | Very low | 29.1 | Very low | 20 Ų | 20 | 50.9 Ų | 50.9 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -72.3 | -176.5 | 173.7 | -81.6 | -64 | 0 | 0 | 0 | 105 | Y1472 L2336 Q2339 L2340 | N1470-Y1472 HydrophobicContact CB-CD2 4.24Å; N1470-Y1472 PolarHBondContact O-N 2.99Å; N1470-Y1472 WeakPolarHBondContact OD1-CE2 3.2Å; N1470-L2336 HydrophobicContact CB-CD2 4.09Å; N1470-L2336 WeakPolarHBondContact CB-O 3.3Å; N1470-L2336 VanDerWaalsContact CG-O 3.23Å; N1470-L2336 VanDerWaalsContact N-CA 3.29Å; N1470-L2336 PolarHBondContact N-O 3.38Å; N1470-L2336 VanDerWaalsContact ND2-C 3.26Å; N1470-L2336 PolarHBondContact ND2-O 2.84Å; N1470-Q2339 CarbonylContact C-O 2.99Å; N1470-Q2339 VanDerWaalsContact CA-O 3.29Å; N1470-Q2339 WeakPolarHBondContact CA-O 3.21Å; N1470-Q2339 WeakPolarHBondContact CB-O 3.49Å; N1470-Q2339 VanDerWaalsContact O-CB 3.27Å; N1470-Q2339 WeakPolarHBondContact O-CB 3.27Å; N1470-L2340 HydrophobicContact CB-CB 4.06Å; N1470-L2340 HydrophobicContact CB-CD1 4.23Å |
| 1471 | Q | 24.5 | Very low | 29 | Very low | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 53.2 | 47 | -171.7 | -57.4 | 162.2 | 152.7 | 0 | 0 | 105.1 | C1473 Y1475 Q2339 L2340 A2343 | Q1471-C1473 WeakPolarHBondContact O-CA 3.26Å; Q1471-C1473 WeakPolarHBondContact O-CB 3.23Å; Q1471-C1473 PolarHBondContact O-N 3.37Å; Q1471-C1473 PolarHBondContact O-SG 3.46Å; Q1471-Y1475 VanDerWaalsContact CA-CE2 3.47Å; Q1471-Y1475 HydrophobicContact CB-CD2 3.79Å; Q1471-Y1475 HydrophobicContact CB-CE2 3.96Å; Q1471-Y1475 HydrophobicContact CG-CD2 3.55Å; Q1471-Y1475 HydrophobicContact CG-CE2 3.5Å; Q1471-Y1475 VanDerWaalsContact CG-CE2 3.5Å; Q1471-Q2339 HydrophobicContact CB-CG 4.31Å; Q1471-Q2339 WeakPolarHBondContact CB-O 3.42Å; Q1471-Q2339 WeakPolarHBondContact CG-O 3.47Å; Q1471-Q2339 PolarHBondContact N-O 2.59Å; Q1471-Q2339 PolarHBondContact NE2-O 3.13Å; Q1471-Q2339 PolarHBondContact O-OE1 3.48Å; Q1471-Q2339 VanDerWaalsContact O-OE1 3.06Å; Q1471-L2340 VanDerWaalsContact OE1-C 3.32Å; Q1471-L2340 PolarHBondContact OE1-O 2.78Å; Q1471-A2343 HydrophobicContact CB-CB 3.54Å; Q1471-A2343 VanDerWaalsContact CD-C 3.49Å; Q1471-A2343 VanDerWaalsContact CD-CA 3.49Å; Q1471-A2343 VanDerWaalsContact CD-CB 3.48Å; Q1471-A2343 HydrophobicContact CG-CB 3.68Å |
| 1472 | Y | 29.6 | Very low | 28.1 | Very low | 152 Ų | 152 | 44.1 Ų | 44.1 | 60% | 0.596 | 22% | 0.216 | S | C | * | . | 37.6 | 60.6 | 77.4 | -81.5 | -131.4 | 0 | 0 | 0 | 104.1 | N1470 H1474 Y1475 | N1470-Y1472 HydrophobicContact CB-CD2 4.24Å; N1470-Y1472 PolarHBondContact O-N 2.99Å; N1470-Y1472 WeakPolarHBondContact OD1-CE2 3.2Å; Y1472-H1474 CarbonylContact O-C 3.48Å; Y1472-H1474 PolarHBondContact O-N 2.91Å; Y1472-Y1475 HydrophobicContact CG-CE2 4.23Å; Y1472-Y1475 WeakPolarHBondContact O-CD2 3.2Å; Y1472-Y1475 PolarHBondContact O-N 3.15Å | |||
| 1473 | C | 30.4 | Very low | 27.7 | Very low | 31 Ų | 31 | 45.4 Ų | 45.4 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -7.2 | -152.9 | -108.8 | 0 | 0 | 0 | 0 | 111.7 | Q1471 Y1475 Q1476 K2182 | Q1471-C1473 WeakPolarHBondContact O-CA 3.26Å; Q1471-C1473 WeakPolarHBondContact O-CB 3.23Å; Q1471-C1473 PolarHBondContact O-N 3.37Å; Q1471-C1473 PolarHBondContact O-SG 3.46Å; C1473-Y1475 VanDerWaalsContact C-N 3.27Å; C1473-Y1475 PolarHBondContact O-N 3.14Å; C1473-Q1476 VanDerWaalsContact O-CG 3.27Å; C1473-Q1476 WeakPolarHBondContact O-CG 3.1Å; C1473-Q1476 PolarHBondContact O-NE2 3.5Å; C1473-K2182 HydrophobicContact CB-CD 3.81Å; C1473-K2182 WeakPolarHBondContact O-CD 3.42Å; C1473-K2182 PolarHBondContact O-NZ 2.98Å; C1473-K2182 PolarHBondContact SG-NZ 3.41Å |
| 1474 | H | 31.9 | Very low | 27.5 | Very low | 53 Ų | 53 | 42.5 Ų | 42.5 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 25 | 159.6 | -74.5 | -91.6 | 0 | 0 | 0 | 116.8 | H1100 Y1472 Q1476 L2175 | H1100-H1474 PolarHBondContact NE2-O 3.44Å; Y1472-H1474 CarbonylContact O-C 3.48Å; Y1472-H1474 PolarHBondContact O-N 2.91Å; H1474-Q1476 PolarHBondContact CE1-NE2 3.47Å; H1474-Q1476 PolarHBondContact CE1-OE1 2.73Å; H1474-Q1476 PolarHBondContact ND1-OE1 3.47Å; H1474-Q1476 PolarHBondContact NE2-NE2 3.49Å; H1474-Q1476 PolarHBondContact O-N 3.06Å; H1474-L2175 VanDerWaalsContact CE1-CD1 3.49Å; H1474-L2175 WeakPolarHBondContact CE1-CD1 2.96Å; H1474-L2175 WeakPolarHBondContact NE2-CD1 3.18Å |
| 1475 | Y | 30.3 | Very low | 28.3 | Very low | 81 Ų | 81 | 39 Ų | 39 | 32% | 0.318 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -70.3 | 50 | 159.2 | -77.8 | -48.1 | 0 | 0 | 0 | 111.8 | Q1471 Y1472 C1473 R1477 Y2347 | Q1471-Y1475 VanDerWaalsContact CA-CE2 3.47Å; Q1471-Y1475 HydrophobicContact CB-CD2 3.79Å; Q1471-Y1475 HydrophobicContact CB-CE2 3.96Å; Q1471-Y1475 HydrophobicContact CG-CD2 3.55Å; Q1471-Y1475 HydrophobicContact CG-CE2 3.5Å; Q1471-Y1475 VanDerWaalsContact CG-CE2 3.5Å; Y1472-Y1475 HydrophobicContact CG-CE2 4.23Å; Y1472-Y1475 WeakPolarHBondContact O-CD2 3.2Å; Y1472-Y1475 PolarHBondContact O-N 3.15Å; C1473-Y1475 VanDerWaalsContact C-N 3.27Å; C1473-Y1475 PolarHBondContact O-N 3.14Å; Y1475-R1477 WeakPolarHBondContact O-CD 3.02Å; Y1475-R1477 WeakPolarHBondContact O-CG 3.41Å; Y1475-Y2347 PolarHBondContact O-OH 2.72Å |
| 1476 | Q | 40.1 | Very low | 28.3 | Very low | 20 Ų | 20 | 38.9 Ų | 38.9 | 9% | 0.093 | 19% | 0.194 | C | C | . | . | trans | -106.7 | 146.5 | -149.8 | -82.4 | 174.4 | 12.5 | 0 | 0 | 113.6 | H1100 P1243 C1473 H1474 | H1100-Q1476 PolarHBondContact CE1-O 2.99Å; P1243-Q1476 HydrophobicContact CG-CG 4.17Å; C1473-Q1476 VanDerWaalsContact O-CG 3.27Å; C1473-Q1476 WeakPolarHBondContact O-CG 3.1Å; C1473-Q1476 PolarHBondContact O-NE2 3.5Å; H1474-Q1476 PolarHBondContact CE1-NE2 3.47Å; H1474-Q1476 PolarHBondContact CE1-OE1 2.73Å; H1474-Q1476 PolarHBondContact ND1-OE1 3.47Å; H1474-Q1476 PolarHBondContact NE2-NE2 3.49Å; H1474-Q1476 PolarHBondContact O-N 3.06Å | ||
| 1477 | R | 25 | Very low | 29.7 | Very low | 28 Ų | 28 | 40 Ų | 40 | 11% | 0.106 | 20% | 0.202 | C | C | . | . | cis | 166.8 | -95.4 | -38.1 | -99.7 | 151.3 | 158.3 | -122.1 | 14.3 | 105.2 | Q1241 H1242 Y1475 Q1479 Q2346 Y2347 | Q1241-R1477 VanDerWaalsContact C-CB 3.49Å; Q1241-R1477 HydrophobicContact CB-CG 4.11Å; Q1241-R1477 CarbonylContact O-C 3.09Å; Q1241-R1477 WeakPolarHBondContact O-CA 3.49Å; Q1241-R1477 WeakPolarHBondContact O-CB 3.03Å; Q1241-R1477 VanDerWaalsContact O-CG 3.25Å; Q1241-R1477 WeakPolarHBondContact O-CG 3.32Å; H1242-R1477 WeakPolarHBondContact O-CB 2.91Å; H1242-R1477 WeakPolarHBondContact O-CD 3.39Å; H1242-R1477 VanDerWaalsContact O-CG 3.24Å; H1242-R1477 WeakPolarHBondContact O-CG 3.17Å; H1242-R1477 PolarHBondContact O-NE 3.41Å; H1242-R1477 PolarHBondContact O-NH1 2.88Å; Y1475-R1477 WeakPolarHBondContact O-CD 3.02Å; Y1475-R1477 WeakPolarHBondContact O-CG 3.41Å; R1477-Q1479 VanDerWaalsContact C-N 3.33Å; R1477-Q1479 PolarHBondContact O-N 2.6Å; R1477-Q1479 VanDerWaalsContact O-N 3.12Å; R1477-Q2346 VanDerWaalsContact NH2-CB 3.29Å; R1477-Q2346 PolarHBondContact NH2-O 2.75Å; R1477-Y2347 HydrophobicContact CG-CE2 4.46Å | ||
| 1478 | Q | 26.8 | Very low | 30.7 | Very low | 70 Ų | 70 | 44.4 Ų | 44.4 | 33% | 0.327 | 22% | 0.216 | S | C | . | . | trans | 30.9 | 59.7 | 176.1 | -72.2 | 177.9 | 21.9 | 0 | 0 | 113.7 | K1124 P1243 S1244 | K1124-Q1478 PolarHBondContact NZ-O 2.66Å; P1243-Q1478 WeakPolarHBondContact O-CG 3.37Å; S1244-Q1478 PolarHBondContact O-NE2 3.2Å | ||
| 1479 | Q | 27.7 | Very low | 31.3 | Very low | 29 Ų | 29 | 47 Ų | 47 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | trans | -94.5 | -7.3 | -160.8 | -108.5 | -166.1 | -8.2 | 0 | 0 | 115.5 | K1124 Q1241 H1242 R1477 V1481 I2354 | K1124-Q1479 WeakPolarHBondContact CE-O 3.15Å; Q1241-Q1479 VanDerWaalsContact CA-OE1 3.26Å; Q1241-Q1479 WeakPolarHBondContact O-CB 3.22Å; Q1241-Q1479 WeakPolarHBondContact O-CG 3.44Å; H1242-Q1479 HydrophobicContact CB-CB 4.4Å; H1242-Q1479 WeakPolarHBondContact CD2-CB 3.24Å; H1242-Q1479 VanDerWaalsContact CG-CB 3.5Å; R1477-Q1479 VanDerWaalsContact C-N 3.33Å; R1477-Q1479 PolarHBondContact O-N 2.6Å; R1477-Q1479 VanDerWaalsContact O-N 3.12Å; Q1479-V1481 CarbonylContact C-O 2.99Å; Q1479-V1481 PolarHBondContact O-N 3Å; Q1479-V1481 VanDerWaalsContact O-N 3.17Å; Q1479-I2354 HydrophobicContact CB-CD1 3.7Å; Q1479-I2354 HydrophobicContact CB-CG1 4.2Å; Q1479-I2354 HydrophobicContact CG-CD1 3.57Å; Q1479-I2354 WeakPolarHBondContact O-CD1 3.23Å; Q1479-I2354 VanDerWaalsContact OE1-CD1 3.31Å | ||
| 1480 | H | 23.6 | Very low | 31.5 | Very low | 64 Ų | 64 | 47.4 Ų | 47.4 | 30% | 0.296 | 22% | 0.222 | S | C | . | . | trans | -29.8 | 112 | 169.1 | -42.4 | -76.3 | 0 | 0 | 0 | 110.4 | K1124 H1242 P1482 E2185 | K1124-H1480 WeakPolarHBondContact CE-O 3.25Å; K1124-H1480 PolarHBondContact NZ-O 2.75Å; H1242-H1480 AromaticContact CE1-CD2 3.28Å; H1242-H1480 PolarHBondContact CE1-CD2 2.65Å; H1242-H1480 AromaticContact CE1-CE1 2.32Å; H1242-H1480 PolarHBondContact CE1-CE1 2.88Å; H1242-H1480 AromaticContact CE1-CG 2.94Å; H1242-H1480 PolarHBondContact CE1-N 2.73Å; H1242-H1480 AromaticContact CE1-ND1 2.31Å; H1242-H1480 PolarHBondContact CE1-ND1 3.22Å; H1242-H1480 AromaticContact CE1-NE2 2.89Å; H1242-H1480 PolarHBondContact CE1-NE2 3.18Å; H1242-H1480 AromaticContact CG-CE1 3.97Å; H1242-H1480 AromaticContact ND1-CD2 3.95Å; H1242-H1480 AromaticContact ND1-CE1 3.27Å; H1242-H1480 PolarHBondContact ND1-CE1 2.84Å; H1242-H1480 VanDerWaalsContact ND1-CE1 3.27Å; H1242-H1480 AromaticContact ND1-CG 3.7Å; H1242-H1480 PolarHBondContact ND1-N 2.66Å; H1242-H1480 VanDerWaalsContact ND1-N 3.18Å; H1242-H1480 AromaticContact ND1-ND1 3.27Å; H1242-H1480 PolarHBondContact ND1-ND1 3.39Å; H1242-H1480 AromaticContact ND1-NE2 3.64Å; H1242-H1480 WeakPolarHBondContact NE2-CA 3.46Å; H1242-H1480 PolarHBondContact NE2-N 3Å; H1480-P1482 WeakPolarHBondContact CA-O 3.32Å; H1480-P1482 VanDerWaalsContact CB-O 3.3Å; H1480-P1482 WeakPolarHBondContact CB-O 3.38Å; H1480-E2185 IonicContact CE1-OE1 3.04Å; H1480-E2185 PolarHBondContact CE1-OE1 2.73Å | ||
| 1481 | V | 21.7 | Very low | 31.8 | Very low | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | cis | -6.5 | 110.6 | -4.2 | -151.1 | 0 | 0 | 0 | 0 | 118.2 | H1242 Q1479 I2354 Y2357 M2361 | H1242-V1481 PolarHBondContact NE2-O 3.36Å; Q1479-V1481 CarbonylContact C-O 2.99Å; Q1479-V1481 PolarHBondContact O-N 3Å; Q1479-V1481 VanDerWaalsContact O-N 3.17Å; V1481-I2354 HydrophobicContact CB-CG1 4.15Å; V1481-I2354 WeakPolarHBondContact CG1-O 3.32Å; V1481-I2354 VanDerWaalsContact O-CG1 3.24Å; V1481-I2354 WeakPolarHBondContact O-CG1 3.09Å; V1481-Y2357 WeakPolarHBondContact CG1-O 3.14Å; V1481-M2361 HydrophobicContact CB-CG 4Å; V1481-M2361 HydrophobicContact CG1-CG 3.72Å; V1481-M2361 HydrophobicContact CG2-CG 3.68Å; V1481-M2361 HydrophobicContact CG2-SD 4.28Å | ||
| 1482 | P | 18 | Very low | 31.9 | Very low | 14 Ų | 14 | 54.3 Ų | 54.3 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | S | Bend | cis | -83.7 | 172.7 | 3.6 | 38.7 | -38.4 | 0 | 0 | 0 | 113.1 | H1242 H1480 Y2357 L2360 | H1242-P1482 WeakPolarHBondContact NE2-CD 2.91Å; H1242-P1482 VanDerWaalsContact NE2-N 3.15Å; H1480-P1482 WeakPolarHBondContact CA-O 3.32Å; H1480-P1482 VanDerWaalsContact CB-O 3.3Å; H1480-P1482 WeakPolarHBondContact CB-O 3.38Å; P1482-Y2357 VanDerWaalsContact CA-O 3.31Å; P1482-Y2357 WeakPolarHBondContact CA-O 3.12Å; P1482-Y2357 VanDerWaalsContact CB-CB 3.47Å; P1482-Y2357 HydrophobicContact CB-CD1 3.14Å; P1482-Y2357 HydrophobicContact CB-CD2 4.2Å; P1482-Y2357 HydrophobicContact CB-CE1 3.89Å; P1482-Y2357 HydrophobicContact CB-CG 3.36Å; P1482-Y2357 VanDerWaalsContact CB-O 3.24Å; P1482-Y2357 WeakPolarHBondContact CB-O 3.49Å; P1482-Y2357 HydrophobicContact CG-CD1 3.54Å; P1482-Y2357 HydrophobicContact CG-CD2 3.69Å; P1482-Y2357 HydrophobicContact CG-CE1 4.06Å; P1482-Y2357 HydrophobicContact CG-CE2 4.16Å; P1482-Y2357 HydrophobicContact CG-CG 3.37Å; P1482-L2360 HydrophobicContact CB-CB 4.49Å |
| 1483 | N | 24.9 | Very low | 31.6 | Very low | 43 Ų | 43 | 55.3 Ų | 55.3 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 57.1 | 138.5 | 133.2 | -75.1 | 4.1 | 0 | 0 | 0 | 122.1 | Y2357 | N1483-Y2357 WeakPolarHBondContact ND2-CE1 3.03Š|
| 1484 | S | 30.2 | Very low | 31.4 | Very low | 5 Ų | 5 | 58.8 Ų | 58.8 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | cis | -68.6 | -135.4 | -32.9 | 24.6 | 0 | 0 | 0 | 0 | 109 | N1119 N1486 P1487 R1488 M2361 E2372 | N1119-S1484 PolarHBondContact OD1-O 3.11Å; S1484-N1486 WeakPolarHBondContact CB-O 3.42Å; S1484-N1486 PolarHBondContact OG-O 2.92Å; S1484-P1487 VanDerWaalsContact C-CA 3.45Å; S1484-P1487 WeakPolarHBondContact O-CB 3.5Å; S1484-R1488 VanDerWaalsContact OG-CG 3.32Å; S1484-R1488 WeakPolarHBondContact OG-CG 3.44Å; S1484-R1488 PolarHBondContact OG-N 3.4Å; S1484-M2361 WeakPolarHBondContact O-CE 3.39Å; S1484-E2372 WeakPolarHBondContact CB-OE1 3.4Å | ||
| 1485 | I | 47.8 | Very low | 31.2 | Very low | 42 Ų | 42 | 64.1 Ų | 64.1 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -109.6 | -50.9 | 175.8 | -24.8 | 85.6 | 0 | 0 | 0 | 119.1 | N1119 P1487 M2361 I2365 E2372 | N1119-I1485 WeakPolarHBondContact ND2-CD1 3.03Å; N1119-I1485 WeakPolarHBondContact ND2-CG1 3.2Å; N1119-I1485 WeakPolarHBondContact OD1-CG1 3.17Å; I1485-P1487 VanDerWaalsContact C-CD 3.41Å; I1485-P1487 VanDerWaalsContact C-N 3.29Å; I1485-P1487 VanDerWaalsContact O-CG 3.24Å; I1485-P1487 WeakPolarHBondContact O-CG 3.44Å; I1485-M2361 HydrophobicContact CB-CE 4.4Å; I1485-M2361 HydrophobicContact CG2-CE 3.95Å; I1485-M2361 HydrophobicContact CG2-SD 4.38Å; I1485-I2365 HydrophobicContact CD1-CB 4.17Å; I1485-I2365 HydrophobicContact CD1-CG1 3.42Å; I1485-I2365 VanDerWaalsContact CD1-CG1 3.42Å; I1485-I2365 HydrophobicContact CD1-CG2 4.39Å; I1485-I2365 HydrophobicContact CG1-CD1 4.28Å; I1485-I2365 HydrophobicContact CG1-CG1 3.59Å; I1485-E2372 WeakPolarHBondContact CD1-OE2 3.47Å |
| 1486 | N | 32.7 | Very low | 31.2 | Very low | 20 Ų | 20 | 64.9 Ų | 64.9 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | S | Bend | cis | 52.6 | 30.9 | 35.8 | -42.7 | 9.8 | 0 | 0 | 0 | 113.2 | N1254 T1255 S1256 S1484 E2372 | N1254-N1486 WeakPolarHBondContact O-CA 3.38Å; N1254-N1486 PolarHBondContact O-N 3.17Å; N1254-N1486 PolarHBondContact O-OD1 2.87Å; N1254-N1486 VanDerWaalsContact O-OD1 3.07Å; T1255-N1486 VanDerWaalsContact N-CG 3.33Å; T1255-N1486 PolarHBondContact N-OD1 2.94Å; T1255-N1486 PolarHBondContact O-ND2 3.12Å; S1256-N1486 PolarHBondContact N-ND2 2.71Å; S1484-N1486 WeakPolarHBondContact CB-O 3.42Å; S1484-N1486 PolarHBondContact OG-O 2.92Å; N1486-E2372 VanDerWaalsContact CB-CD 3.49Å; N1486-E2372 HydrophobicContact CB-CG 4.17Å; N1486-E2372 PolarHBondContact ND2-OE2 2.69Å |
| 1487 | P | 55.2 | Low | 30.5 | Very low | 42 Ų | 42 | 71.2 Ų | 71.2 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | trans | -109.4 | 107.1 | -130 | 32.9 | -18.9 | 0 | 0 | 0 | 112.6 | S1484 I1485 Q1489 | S1484-P1487 VanDerWaalsContact C-CA 3.45Å; S1484-P1487 WeakPolarHBondContact O-CB 3.5Å; I1485-P1487 VanDerWaalsContact C-CD 3.41Å; I1485-P1487 VanDerWaalsContact C-N 3.29Å; I1485-P1487 VanDerWaalsContact O-CG 3.24Å; I1485-P1487 WeakPolarHBondContact O-CG 3.44Å; P1487-Q1489 PolarHBondContact O-N 3.05Å | ||
| 1488 | R | 48.3 | Very low | 30.8 | Very low | 117 Ų | 117 | 77.9 Ų | 77.9 | 44% | 0.442 | 39% | 0.388 | S | S | . | . | trans | -65.8 | 97.6 | -175.6 | -75.8 | 165.9 | 173 | 169 | -2 | 113.2 | S1484 E2375 | S1484-R1488 VanDerWaalsContact OG-CG 3.32Å; S1484-R1488 WeakPolarHBondContact OG-CG 3.44Å; S1484-R1488 PolarHBondContact OG-N 3.4Å; R1488-E2375 IonicContact CZ-OE2 3.41Å; R1488-E2375 IonicContact NE-OE2 2.74Å; R1488-E2375 PolarHBondContact NE-OE2 3.04Å; R1488-E2375 IonicContact NH2-OE2 3.23Å; R1488-E2375 PolarHBondContact NH2-OE2 3.43Å | ||
| 1489 | Q | 36.9 | Very low | 31.1 | Very low | 112 Ų | 112 | 80.3 Ų | 80.3 | 52% | 0.523 | 41% | 0.408 | S | S | . | . | -174.4 | 141.6 | 101 | -89 | 160.1 | 3.4 | 0 | 0 | 109.5 | P1487 L1491 | P1487-Q1489 PolarHBondContact O-N 3.05Å; Q1489-L1491 HydrophobicContact CG-CD1 4.25Å | |||
| 1490 | T | 32.2 | Very low | 31.2 | Very low | 42 Ų | 42 | 80.8 Ų | 80.8 | 26% | 0.258 | 42% | 0.421 | S | S | . | . | cis | 63.3 | 77.9 | 11.5 | -41 | 0 | 0 | 0 | 0 | 114.5 | F1248 S1249 | F1248-T1490 VanDerWaalsContact O-CB 3.25Å; F1248-T1490 WeakPolarHBondContact O-CB 3Å; F1248-T1490 WeakPolarHBondContact O-CG2 3.27Å; F1248-T1490 PolarHBondContact O-OG1 3.42Å; S1249-T1490 PolarHBondContact N-OG1 3.32Å | ||
| 1491 | L | 30.7 | Very low | 31.4 | Very low | 61 Ų | 61 | 81.7 Ų | 81.7 | 32% | 0.319 | 43% | 0.428 | S | S | . | . | trans | -169.9 | 106.8 | 160.5 | -109.2 | 162.2 | 0 | 0 | 0 | 109.7 | N1245 Q1489 R1493 | N1245-L1491 VanDerWaalsContact ND2-CB 3.33Å; N1245-L1491 WeakPolarHBondContact ND2-CB 3.1Å; N1245-L1491 PolarHBondContact ND2-N 3.31Å; N1245-L1491 PolarHBondContact ND2-O 2.67Å; Q1489-L1491 HydrophobicContact CG-CD1 4.25Å; L1491-R1493 HydrophobicContact CD2-CB 4.09Å | ||
| 1492 | H | 27.1 | Very low | 32.1 | Very low | 108 Ų | 108 | 84.8 Ų | 84.8 | 50% | 0.5 | 45% | 0.447 | S | S | . | . | cis | 27 | 86.7 | -20.4 | -76.8 | -76.9 | 0 | 0 | 0 | 117.1 | S2177 | H1492-S2177 PolarHBondContact CD2-OG 2.57Å; H1492-S2177 PolarHBondContact NE2-OG 2.57Å | ||
| 1493 | R | 22.6 | Very low | 32.7 | Very low | 173 Ų | 173 | 84.4 Ų | 84.4 | 65% | 0.653 | 45% | 0.446 | S | S | * | . | cis | 62.8 | 114.3 | 34.4 | -164.5 | -158.2 | 175.2 | 170.7 | -0 | 111.2 | L1491 | L1491-R1493 HydrophobicContact CD2-CB 4.09Š| ||
| 1494 | T | 25.8 | Very low | 33.6 | Very low | 104 Ų | 104 | 83.3 Ų | 83.3 | 64% | 0.638 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 59.6 | 173.1 | 169.9 | 39.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1495 | Q | 27.8 | Very low | 34 | Very low | 164 Ų | 164 | 84.3 Ų | 84.3 | 77% | 0.766 | 45% | 0.447 | S | S | * | . | trans | 20.9 | 116.5 | 178.5 | -77.2 | 72.3 | -72.9 | 0 | 0 | 117.5 | ||||
| 1496 | S | 29.8 | Very low | 33.5 | Very low | 97 Ų | 97 | 82.3 Ų | 82.3 | 68% | 0.678 | 44% | 0.437 | S | S | * | . | cis | -162.2 | 162.8 | 17.6 | -99.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1497 | L | 26 | Very low | 33.4 | Very low | 153 Ų | 153 | 81.4 Ų | 81.4 | 80% | 0.801 | 43% | 0.432 | S | S | * | . | cis | 58 | 84.3 | 4.3 | -54.2 | -180 | 0 | 0 | 0 | 115.2 | ||||
| 1498 | M | 31.4 | Very low | 32.1 | Very low | 168 Ų | 168 | 81.1 Ų | 81.1 | 83% | 0.828 | 43% | 0.427 | S | S | * | . | cis | -153.7 | 160.4 | 13.9 | -60.5 | 167 | 86.9 | 0 | 0 | 108 | ||||
| 1499 | T | 32 | Very low | 30.9 | Very low | 121 Ų | 121 | 81 Ų | 81 | 74% | 0.742 | 43% | 0.426 | S | S | * | . | cis | -104.6 | -156.5 | 7.4 | 51.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1500 | G | 30.2 | Very low | 30.3 | Very low | 40 Ų | 40 | 83 Ų | 83 | 41% | 0.412 | 44% | 0.437 | S | S | . | . | cis | 69.1 | 123.6 | 44.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1501 | L | 28 | Very low | 31 | Very low | 82 Ų | 82 | 83.8 Ų | 83.8 | 43% | 0.429 | 44% | 0.44 | S | S | . | . | cis | -80.5 | -168.9 | 6.6 | -62.2 | 172 | 0 | 0 | 0 | 112.2 | E2381 | L1501-E2381 CarbonylContact C-O 3.48Å; L1501-E2381 HydrophobicContact CB-CG 3.76Å; L1501-E2381 WeakPolarHBondContact CB-O 3.26Å; L1501-E2381 VanDerWaalsContact CD1-CD 3.42Å; L1501-E2381 HydrophobicContact CD1-CG 3.91Å; L1501-E2381 WeakPolarHBondContact CD1-OE1 3.03Å; L1501-E2381 HydrophobicContact CG-CG 4.49Å | ||
| 1502 | T | 36.8 | Very low | 31.2 | Very low | 73 Ų | 73 | 84 Ų | 84 | 45% | 0.448 | 44% | 0.437 | S | S | . | . | cis | 95.3 | 76.4 | -20.2 | 74.4 | 0 | 0 | 0 | 0 | 121 | K2378 E2381 | T1502-K2378 HydrophobicContact CG2-CD 4.48Å; T1502-K2378 HydrophobicContact CG2-CG 4.11Å; T1502-K2378 PolarHBondContact N-O 2.8Å; T1502-E2381 PolarHBondContact N-O 3.35Å | ||
| 1503 | G | 31 | Very low | 31.8 | Very low | 6 Ų | 6 | 80.3 Ų | 80.3 | 6% | 0.062 | 42% | 0.422 | C | S | . | . | trans | 144.5 | 90.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | G2377 L2380 E2381 | G1503-G2377 PolarHBondContact N-O 3.23Å; G1503-G2377 VanDerWaalsContact N-O 3.12Å; G1503-L2380 VanDerWaalsContact C-C 3.49Å; G1503-L2380 CarbonylContact O-C 3.52Å; G1503-E2381 VanDerWaalsContact N-CA 3.33Å; G1503-E2381 WeakPolarHBondContact O-CA 3.34Å; G1503-E2381 WeakPolarHBondContact O-CB 3.31Å; G1503-E2381 VanDerWaalsContact O-CG 3.22Å; G1503-E2381 WeakPolarHBondContact O-CG 3.39Å; G1503-E2381 PolarHBondContact O-N 2.78Å | ||
| 1504 | V | 42.9 | Very low | 32 | Very low | 20 Ų | 20 | 76.8 Ų | 76.8 | 12% | 0.121 | 41% | 0.413 | C | S | . | . | -169.8 | 162.3 | 50.9 | 121.3 | 0 | 0 | 0 | 0 | 114.5 | N1152 A1506 H2376 G2377 L2380 | N1152-V1504 HydrophobicContact CB-CG1 4.44Å; N1152-V1504 WeakPolarHBondContact OD1-CB 3.04Å; N1152-V1504 VanDerWaalsContact OD1-CG1 3.26Å; N1152-V1504 WeakPolarHBondContact OD1-CG1 2.71Å; N1152-V1504 WeakPolarHBondContact OD1-CG2 3.1Å; V1504-A1506 HydrophobicContact CG1-CB 4.49Å; V1504-H2376 CarbonylContact O-C 3.19Å; V1504-G2377 PolarHBondContact O-N 3.11Å; V1504-L2380 HydrophobicContact CB-CD2 3.86Å; V1504-L2380 HydrophobicContact CG1-CD2 3.94Å; V1504-L2380 VanDerWaalsContact N-CD2 3.27Å; V1504-L2380 WeakPolarHBondContact O-CB 3.43Å | |||
| 1505 | P | 38.2 | Very low | 32.1 | Very low | 25 Ų | 25 | 81.9 Ų | 81.9 | 16% | 0.162 | 42% | 0.42 | C | S | . | . | trans | -59.1 | -153.9 | 173.4 | -25.6 | 35.6 | 0 | 0 | 0 | 113.1 | S1256 R1257 L2373 G2377 | S1256-P1505 WeakPolarHBondContact OG-CA 3.34Å; R1257-P1505 HydrophobicContact CB-CB 4.37Å; R1257-P1505 HydrophobicContact CG-CB 4.44Å; P1505-L2373 WeakPolarHBondContact CA-O 3.18Å; P1505-L2373 HydrophobicContact CB-CD2 3.68Å; P1505-L2373 HydrophobicContact CB-CG 3.97Å; P1505-L2373 WeakPolarHBondContact CB-O 3.1Å; P1505-L2373 HydrophobicContact CG-CD2 3.61Å; P1505-L2373 HydrophobicContact CG-CG 4.43Å; P1505-L2373 WeakPolarHBondContact CG-O 3.25Å; P1505-G2377 VanDerWaalsContact N-CA 3.28Å | ||
| 1506 | A | 38.1 | Very low | 32.5 | Very low | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.008 | 41% | 0.413 | C | S | . | . | trans | 86.4 | 145.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1110 S1111 T1255 S1256 R1257 V1504 | N1110-A1506 CarbonylContact O-C 3.2Å; S1111-A1506 WeakPolarHBondContact OG-CB 3.16Å; T1255-A1506 WeakPolarHBondContact CG2-O 3.21Å; S1256-A1506 VanDerWaalsContact CB-N 3.29Å; S1256-A1506 VanDerWaalsContact CB-O 3.29Å; S1256-A1506 WeakPolarHBondContact CB-O 3.22Å; S1256-A1506 PolarHBondContact OG-N 2.89Å; R1257-A1506 VanDerWaalsContact CB-CA 3.44Å; R1257-A1506 VanDerWaalsContact CB-N 3.34Å; V1504-A1506 HydrophobicContact CG1-CB 4.49Å | ||
| 1507 | N | 29.4 | Very low | 32.3 | Very low | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.005 | 41% | 0.406 | C | S | . | . | cis | 165.7 | -177.4 | -12.8 | -112.1 | -30.9 | 0 | 0 | 0 | 112.9 | N1109 N1110 N1112 D1113 R1257 R1258 | N1109-N1507 WeakPolarHBondContact CB-O 3.18Å; N1109-N1507 PolarHBondContact ND2-O 3.04Å; N1109-N1507 PolarHBondContact OD1-O 2.8Å; N1109-N1507 VanDerWaalsContact OD1-O 3.06Å; N1110-N1507 PolarHBondContact O-N 3.36Å; N1112-N1507 VanDerWaalsContact C-ND2 3.27Å; N1112-N1507 VanDerWaalsContact CA-CB 3.49Å; N1112-N1507 VanDerWaalsContact CA-ND2 3.32Å; N1112-N1507 WeakPolarHBondContact CA-ND2 3.09Å; D1113-N1507 WeakPolarHBondContact CA-ND2 3.43Å; D1113-N1507 PolarHBondContact N-ND2 3.27Å; D1113-N1507 PolarHBondContact O-ND2 2.73Å; R1257-N1507 VanDerWaalsContact CB-OD1 3.23Å; R1257-N1507 WeakPolarHBondContact CB-OD1 3.38Å; R1257-N1507 VanDerWaalsContact CG-ND2 3.34Å; R1257-N1507 WeakPolarHBondContact CG-ND2 3.24Å; R1257-N1507 WeakPolarHBondContact CG-OD1 3.15Å; R1257-N1507 VanDerWaalsContact CZ-ND2 3.3Å; R1257-N1507 PolarHBondContact NE-ND2 2.89Å; R1258-N1507 PolarHBondContact N-OD1 2.83Å | ||
| 1508 | E | 29.8 | Very low | 32.5 | Very low | 35 Ų | 35 | 75.2 Ų | 75.2 | 16% | 0.164 | 39% | 0.386 | C | S | . | . | cis | -152.1 | -160.8 | -21.2 | -152.9 | -176.6 | -167.7 | 0 | 0 | 106.5 | N1112 D1113 K1114 R1258 F1259 | N1112-E1508 WeakPolarHBondContact O-CB 3.36Å; D1113-E1508 PolarHBondContact N-OE2 2.8Å; K1114-E1508 PolarHBondContact N-OE1 2.73Å; R1258-E1508 HydrophobicContact CB-CG 3.32Å; R1258-E1508 WeakPolarHBondContact CB-OE1 3.44Å; R1258-E1508 WeakPolarHBondContact CD-OE1 2.82Å; F1259-E1508 CarbonylContact O-C 3.12Å | ||
| 1509 | R | 22.7 | Very low | 32.3 | Very low | 114 Ų | 114 | 69.9 Ų | 69.9 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | S | Bend | -23 | 152.2 | 127.7 | -60.6 | 120 | 142.6 | -149.2 | -14 | 113.4 | R1258 F1259 | R1258-R1509 VanDerWaalsContact NH1-NH1 3.15Å; F1259-R1509 PolarHBondContact O-N 2.95Å | |
| 1510 | M | 23.2 | Very low | 32 | Very low | 154 Ų | 154 | 67.1 Ų | 67.1 | 76% | 0.759 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 65.1 | 150.3 | -178.7 | -84.4 | 72.7 | 158.1 | 0 | 0 | 115 | R1512 | M1510-R1512 PolarHBondContact O-N 2.81Š|
| 1511 | N | 46.9 | Very low | 31.8 | Very low | 60 Ų | 60 | 66 Ų | 66 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | trans | 40.8 | 66.9 | 138.7 | -49.9 | -20.3 | 0 | 0 | 0 | 123 | D1155 N1156 | D1155-N1511 CarbonylContact C-O 3.36Å; D1155-N1511 VanDerWaalsContact C-O 3.22Å; D1155-N1511 WeakPolarHBondContact CA-O 3.44Å; D1155-N1511 HydrophobicContact CB-CB 4.36Å; D1155-N1511 WeakPolarHBondContact OD1-CB 3.17Å; D1155-N1511 PolarHBondContact OD1-ND2 2.99Å; N1156-N1511 PolarHBondContact N-O 3.49Å | ||
| 1512 | R | 35.5 | Very low | 31.5 | Very low | 66 Ų | 66 | 62 Ų | 62 | 25% | 0.249 | 31% | 0.306 | C | S | . | . | 55.2 | -158.1 | 123.4 | -53.1 | 173.2 | -50 | -71.5 | -19.8 | 118.3 | N1108 N1110 N1156 R1219 M1510 | N1108-R1512 WeakPolarHBondContact OD1-CA 3.25Å; N1108-R1512 PolarHBondContact OD1-O 3.46Å; N1110-R1512 PolarHBondContact ND2-O 3.19Å; N1156-R1512 WeakPolarHBondContact O-CB 3.13Å; N1156-R1512 VanDerWaalsContact O-CZ 3.26Å; N1156-R1512 PolarHBondContact O-NE 3.48Å; N1156-R1512 PolarHBondContact O-NH2 2.86Å; R1219-R1512 PolarHBondContact O-NE 2.72Å; R1219-R1512 PolarHBondContact O-NH2 2.64Å; M1510-R1512 PolarHBondContact O-N 2.81Å | |||
| 1513 | V | 39 | Very low | 30.8 | Very low | 30 Ų | 30 | 59.5 Ų | 59.5 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | trans | -161.1 | 157.4 | -176.8 | 71.3 | 0 | 0 | 0 | 0 | 113 | N1107 N1108 N1110 N1156 N1157 | N1107-V1513 HydrophobicContact CB-CG1 4.29Å; N1107-V1513 HydrophobicContact CB-CG2 4.07Å; N1108-V1513 HydrophobicContact CB-CB 4.45Å; N1108-V1513 HydrophobicContact CB-CG1 4.04Å; N1108-V1513 WeakPolarHBondContact OD1-CB 3.09Å; N1108-V1513 VanDerWaalsContact OD1-CG1 3.29Å; N1108-V1513 WeakPolarHBondContact OD1-CG1 3.09Å; N1108-V1513 PolarHBondContact OD1-N 3.01Å; N1110-V1513 VanDerWaalsContact ND2-CA 3.26Å; N1110-V1513 WeakPolarHBondContact ND2-CA 2.95Å; N1110-V1513 WeakPolarHBondContact ND2-CB 3.13Å; N1110-V1513 WeakPolarHBondContact ND2-CG2 3.11Å; N1156-V1513 CarbonylContact C-O 3.59Å; N1157-V1513 CarbonylContact C-O 3.48Å; N1157-V1513 VanDerWaalsContact C-O 3.25Å; N1157-V1513 WeakPolarHBondContact CA-O 3.35Å; N1157-V1513 VanDerWaalsContact N-C 3.32Å; N1157-V1513 PolarHBondContact N-O 3.15Å | ||
| 1514 | E | 27.5 | Very low | 30.4 | Very low | 99 Ų | 99 | 63.6 Ų | 63.6 | 46% | 0.463 | 32% | 0.317 | S | S | . | . | trans | -100.7 | 160.1 | 169 | -69.8 | -168.2 | 144.7 | 0 | 0 | 114.4 | N1156 N1157 L1516 | N1156-E1514 HydrophobicContact CB-CG 3.44Å; N1156-E1514 VanDerWaalsContact CB-CG 3.44Å; N1157-E1514 HydrophobicContact CB-CG 4.03Å; N1157-E1514 PolarHBondContact ND2-OE1 2.78Å; N1157-E1514 WeakPolarHBondContact O-CA 3.09Å; E1514-L1516 PolarHBondContact O-N 2.85Å | ||
| 1515 | W | 27.2 | Very low | 29.3 | Very low | 210 Ų | 210 | 67.9 Ų | 67.9 | 80% | 0.795 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -78 | 91.6 | 161.6 | -76.2 | 80.8 | 0 | 0 | 0 | 110.7 | ||
| 1516 | L | 36.6 | Very low | 28.7 | Very low | 119 Ų | 119 | 72.2 Ų | 72.2 | 62% | 0.623 | 37% | 0.365 | S | S | * | . | trans | -170.6 | 120.2 | 147.6 | -107.5 | 166.4 | 0 | 0 | 0 | 109.3 | E1514 | E1514-L1516 PolarHBondContact O-N 2.85Š| ||
| 1517 | N | 26.6 | Very low | 27.9 | Very low | 97 Ų | 97 | 80 Ų | 80 | 52% | 0.519 | 40% | 0.401 | S | S | . | . | trans | -161.3 | 119 | 130.2 | -119.6 | 4.1 | 0 | 0 | 0 | 109.7 | V2387 | N1517-V2387 WeakPolarHBondContact ND2-CG2 3.17Š| ||
| 1518 | P | 28.9 | Very low | 27.7 | Very low | 58 Ų | 58 | 85.4 Ų | 85.4 | 38% | 0.377 | 44% | 0.439 | S | S | . | . | trans | -76.2 | 163.4 | 149 | 35.9 | -31.4 | 0 | 0 | 0 | 109.3 | N1520 V2387 | P1518-N1520 HydrophobicContact CB-CB 4.24Å; P1518-N1520 WeakPolarHBondContact CB-OD1 3.4Å; P1518-N1520 HydrophobicContact CG-CB 4.34Å; P1518-V2387 WeakPolarHBondContact O-CG2 3.36Å | ||
| 1519 | N | 26.8 | Very low | 27.4 | Very low | 56 Ų | 56 | 89.4 Ų | 89.4 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | trans | -95.6 | 109.8 | 152.1 | -66.4 | 38.8 | 0 | 0 | 0 | 105.2 | L1145 Y1251 A2386 V2387 | L1145-N1519 CarbonylContact O-C 3.47Å; Y1251-N1519 WeakPolarHBondContact CD2-ND2 3.3Å; N1519-A2386 WeakPolarHBondContact CB-O 3.46Å; N1519-A2386 WeakPolarHBondContact ND2-CB 3.26Å; N1519-A2386 PolarHBondContact ND2-O 2.64Å; N1519-V2387 HydrophobicContact CB-CG2 4.49Å | ||
| 1520 | N | 27.2 | Very low | 27.4 | Very low | 63 Ų | 63 | 87.4 Ų | 87.4 | 34% | 0.337 | 49% | 0.486 | S | S | . | . | trans | -178.1 | 150.6 | -176.9 | -73.9 | 137.9 | 0 | 0 | 0 | 110.3 | D1144 L1145 P1518 | D1144-N1520 PolarHBondContact O-ND2 3.3Å; L1145-N1520 PolarHBondContact O-N 3.45Å; P1518-N1520 HydrophobicContact CB-CB 4.24Å; P1518-N1520 WeakPolarHBondContact CB-OD1 3.4Å; P1518-N1520 HydrophobicContact CG-CB 4.34Å | ||
| 1521 | T | 24.8 | Very low | 27.5 | Very low | 16 Ų | 16 | 83 Ų | 83 | 10% | 0.098 | 48% | 0.48 | C | S | . | . | cis | -172.3 | 159.5 | -31.1 | -27.5 | 0 | 0 | 0 | 0 | 110.4 | D1144 L1145 E2390 Q2393 H2394 | D1144-T1521 HydrophobicContact CB-CG2 4.28Å; D1144-T1521 VanDerWaalsContact O-CG2 3.24Å; D1144-T1521 WeakPolarHBondContact O-CG2 3.16Å; D1144-T1521 PolarHBondContact O-OG1 2.94Å; D1144-T1521 WeakPolarHBondContact OD2-CG2 3.48Å; L1145-T1521 HydrophobicContact CB-CG2 3.87Å; L1145-T1521 HydrophobicContact CD1-CG2 4.24Å; L1145-T1521 HydrophobicContact CG-CG2 3.9Å; T1521-E2390 CarbonylContact C-O 2.82Å; T1521-E2390 VanDerWaalsContact CA-O 3.25Å; T1521-E2390 WeakPolarHBondContact CA-O 3.48Å; T1521-E2390 WeakPolarHBondContact CG2-O 3.29Å; T1521-Q2393 VanDerWaalsContact CG2-CA 3.46Å; T1521-Q2393 HydrophobicContact CG2-CB 3.39Å; T1521-H2394 HydrophobicContact CG2-CB 4.5Å; T1521-H2394 CarbonylContact O-C 3.34Å | ||
| 1522 | A | 22.8 | Very low | 26.3 | Very low | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 49% | 0.492 | C | S | . | . | trans | -124 | 0 | 167.4 | 0 | 0 | 0 | 0 | 0 | 125.3 | E2390 L2391 E2392 Q2393 H2394 N2395 N2396 | A1522-E2390 PolarHBondContact N-O 3.34Å; A1522-L2391 VanDerWaalsContact CB-CA 3.4Å; A1522-L2391 HydrophobicContact CB-CB 4.18Å; A1522-L2391 HydrophobicContact CB-CD2 3.97Å; A1522-L2391 HydrophobicContact CB-CG 3.97Å; A1522-L2391 WeakPolarHBondContact CB-O 2.98Å; A1522-E2392 VanDerWaalsContact CB-CA 3.45Å; A1522-E2392 VanDerWaalsContact N-N 3.18Å; A1522-E2392 CarbonylContact O-C 3.27Å; A1522-Q2393 VanDerWaalsContact C-N 3.3Å; A1522-Q2393 CarbonylContact C-O 3.56Å; A1522-Q2393 VanDerWaalsContact CA-N 3.26Å; A1522-Q2393 VanDerWaalsContact N-C 3.27Å; A1522-Q2393 CarbonylContact O-C 3.25Å; A1522-Q2393 WeakPolarHBondContact O-CA 3.43Å; A1522-Q2393 PolarHBondContact O-N 3.44Å; A1522-H2394 PolarHBondContact O-N 2.73Å; A1522-N2395 CarbonylContact C-O 3.13Å; A1522-N2395 VanDerWaalsContact CB-C 3.41Å; A1522-N2395 HydrophobicContact CB-CB 3.53Å; A1522-N2395 VanDerWaalsContact CB-N 3.28Å; A1522-N2395 WeakPolarHBondContact CB-O 3.19Å; A1522-N2395 CarbonylContact O-C 3.56Å; A1522-N2396 CarbonylContact O-C 3.36Å; A1522-N2396 WeakPolarHBondContact O-CA 3.45Å; A1522-N2396 PolarHBondContact O-N 3.32Å | ||
| 1523 | A | 21.8 | Very low | 25.6 | Very low | 19 Ų | 19 | 90.1 Ų | 90.1 | 16% | 0.157 | 52% | 0.517 | C | S | . | . | 0 | 104.2 | 0 | 0 | 0 | 0 | 0 | 0 | 131.2 | Q2393 H2394 N2396 T2397 | A1523-Q2393 PolarHBondContact N-O 2.82Å; A1523-H2394 CarbonylContact C-O 3.54Å; A1523-H2394 CarbonylContact O-C 3.47Å; A1523-H2394 WeakPolarHBondContact O-CA 3.47Å; A1523-H2394 VanDerWaalsContact O-CB 3.24Å; A1523-H2394 WeakPolarHBondContact O-CB 3.37Å; A1523-H2394 PolarHBondContact O-CD2 3.15Å; A1523-N2396 VanDerWaalsContact N-CA 3.25Å; A1523-T2397 HydrophobicContact CB-CG2 3.84Å; A1523-T2397 WeakPolarHBondContact CB-OG1 3.3Å | |||
| 1524 | P | 23.1 | Very low | 24.8 | Very low | 92 Ų | 92 | 95.3 Ų | 95.3 | 60% | 0.597 | 54% | 0.539 | S | S | * | . | -123.5 | 144.7 | 76 | 40.3 | -34 | 0 | 0 | 0 | 117.8 | H2394 N2395 | P1524-H2394 WeakPolarHBondContact CD-O 3Å; P1524-N2395 VanDerWaalsContact O-CA 3.3Å; P1524-N2395 WeakPolarHBondContact O-CA 3.32Å; P1524-N2395 WeakPolarHBondContact O-CB 3.14Å; P1524-N2395 PolarHBondContact O-OD1 2.74Å | |||
| 1525 | I | 19.8 | Very low | 24.5 | Very low | 110 Ų | 110 | 94.4 Ų | 94.4 | 56% | 0.564 | 54% | 0.537 | S | S | * | . | trans | -66.4 | 175.5 | 175.3 | -63.1 | 150.4 | 0 | 0 | 0 | 111.6 | N2395 | I1525-N2395 WeakPolarHBondContact CA-OD1 3.25Š| ||
| 1526 | T | 24.5 | Very low | 24.5 | Very low | 116 Ų | 116 | 93.7 Ų | 93.7 | 71% | 0.712 | 54% | 0.536 | S | S | * | . | trans | 95.2 | 126 | 174.1 | 71.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1527 | Q | 22.3 | Very low | 24.4 | Very low | 166 Ų | 166 | 92.4 Ų | 92.4 | 78% | 0.776 | 54% | 0.536 | S | S | * | . | cis | 75.5 | 124.1 | 43.3 | -64.6 | -170.6 | 0.1 | 0 | 0 | 115.4 | ||||
| 1528 | S | 24.1 | Very low | 24.7 | Very low | 113 Ų | 113 | 95.2 Ų | 95.2 | 79% | 0.79 | 55% | 0.551 | S | S | * | * | trans | 76.8 | 167.3 | 147.8 | 82.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1529 | S | 24.3 | Very low | 24.9 | Very low | 120 Ų | 120 | 97.3 Ų | 97.3 | 84% | 0.839 | 56% | 0.562 | S | S | * | * | trans | -13.5 | 143.4 | 169.2 | -51.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1530 | G | 23.4 | Very low | 26.1 | Very low | 72 Ų | 72 | 100.7 Ų | 100.7 | 74% | 0.742 | 59% | 0.587 | S | S | * | * | cis | 135 | 152 | 10.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1531 | G | 24.4 | Very low | 27 | Very low | 62 Ų | 62 | 105.8 Ų | 105.8 | 64% | 0.639 | 61% | 0.609 | S | S | * | * | trans | 77.4 | 158.9 | -153.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1532 | N | 21.3 | Very low | 28.1 | Very low | 109 Ų | 109 | 112.1 Ų | 112.1 | 58% | 0.583 | 64% | 0.637 | S | S | * | * | cis | -145.6 | 136.7 | 7.2 | -92.1 | -20.7 | 0 | 0 | 0 | 108.7 | Q1534 | N1532-Q1534 HydrophobicContact CB-CB 4.01Å; N1532-Q1534 PolarHBondContact ND2-OE1 2.84Å; N1532-Q1534 VanDerWaalsContact OD1-CG 3.32Å; N1532-Q1534 WeakPolarHBondContact OD1-CG 3.2Å; N1532-Q1534 PolarHBondContact OD1-N 3.37Å; N1532-Q1534 PolarHBondContact OD1-OE1 3.24Å | ||
| 1533 | H | 20.3 | Very low | 29.2 | Very low | 165 Ų | 165 | 117.9 Ų | 117.9 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | cis | 55.8 | 17.1 | -7.8 | -75 | 80.4 | 0 | 0 | 0 | 118.2 | L1535 | H1533-L1535 WeakPolarHBondContact O-CD1 3.35Å; H1533-L1535 WeakPolarHBondContact O-CG 3.09Å | ||
| 1534 | Q | 22.8 | Very low | 30.2 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 65% | 0.654 | 69% | 0.693 | S | S | * | * | -107.5 | 106.3 | 127.3 | -74 | 166.9 | -21.9 | 0 | 0 | 101.7 | N1532 | N1532-Q1534 HydrophobicContact CB-CB 4.01Å; N1532-Q1534 PolarHBondContact ND2-OE1 2.84Å; N1532-Q1534 VanDerWaalsContact OD1-CG 3.32Å; N1532-Q1534 WeakPolarHBondContact OD1-CG 3.2Å; N1532-Q1534 PolarHBondContact OD1-N 3.37Å; N1532-Q1534 PolarHBondContact OD1-OE1 3.24Å | |||
| 1535 | L | 21.3 | Very low | 31.1 | Very low | 80 Ų | 80 | 126.1 Ų | 126.1 | 42% | 0.419 | 70% | 0.7 | S | S | . | * | cis | 54.4 | 125.1 | 43.9 | -43.6 | 171.6 | 0 | 0 | 0 | 109.3 | H1533 | H1533-L1535 WeakPolarHBondContact O-CD1 3.35Å; H1533-L1535 WeakPolarHBondContact O-CG 3.09Å | ||
| 1536 | Y | 28.1 | Very low | 32.6 | Very low | 195 Ų | 195 | 126 Ų | 126 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | cis | -132.7 | 159.2 | 23.9 | -54.5 | -95.8 | 0 | 0 | 0 | 108.9 | ||||
| 1537 | C | 34.6 | Very low | 33.8 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | cis | -143.4 | 138.2 | 23.1 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | V1539 | C1537-V1539 PolarHBondContact O-N 3.32Š| ||
| 1538 | N | 32 | Very low | 34.7 | Very low | 157 Ų | 157 | 123.7 Ų | 123.7 | 84% | 0.84 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -77.6 | 28.4 | 177.2 | -87 | -13 | 0 | 0 | 0 | 113.6 | ||
| 1539 | V | 34 | Very low | 35.6 | Very low | 102 Ų | 102 | 123.3 Ų | 123.3 | 62% | 0.618 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -140 | 132.2 | -179.6 | -179 | 0 | 0 | 0 | 0 | 107.5 | C1537 E1541 | C1537-V1539 PolarHBondContact O-N 3.32Å; V1539-E1541 PolarHBondContact O-N 2.81Å; V1539-E1541 VanDerWaalsContact O-N 3.17Å |
| 1540 | P | 51.4 | Low | 36.6 | Very low | 127 Ų | 127 | 119.4 Ų | 119.4 | 83% | 0.825 | 66% | 0.659 | S | S | * | * | S | Bend | -88.3 | 7.8 | -128.6 | -19.3 | 35.5 | 0 | 0 | 0 | 119.5 | |||
| 1541 | E | 45.2 | Very low | 38.1 | Very low | 169 Ų | 169 | 123.6 Ų | 123.6 | 79% | 0.79 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -139.3 | 140.4 | -171.6 | -60.6 | -177.3 | 156.5 | 0 | 0 | 112.3 | V1539 | V1539-E1541 PolarHBondContact O-N 2.81Å; V1539-E1541 VanDerWaalsContact O-N 3.17Å |
| 1542 | H | 47.8 | Very low | 39.1 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 69% | 0.694 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 65.3 | 108.2 | 177 | -69.7 | -100 | 0 | 0 | 0 | 118.6 | ||
| 1543 | H | 46.3 | Very low | 40 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 56% | 0.556 | 66% | 0.66 | S | S | * | * | 179.2 | -5.4 | 96.9 | -92.8 | -72.1 | 0 | 0 | 0 | 114.4 | L1545 E1546 | H1543-L1545 PolarHBondContact O-N 3.45Å; H1543-E1546 IonicContact CE1-OE1 1.8Å; H1543-E1546 IonicContact CE1-OE2 3.41Å; H1543-E1546 PolarHBondContact CE1-OE2 3.07Å; H1543-E1546 VanDerWaalsContact ND1-CD 3.33Å; H1543-E1546 IonicContact ND1-OE1 3.17Å; H1543-E1546 IonicContact ND1-OE2 2.93Å; H1543-E1546 PolarHBondContact ND1-OE2 2.87Å; H1543-E1546 PolarHBondContact O-N 3.34Å; H1543-E1546 VanDerWaalsContact O-N 3.13Å | |||
| 1544 | D | 43.1 | Very low | 41.5 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 78% | 0.781 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | 4.4 | 172.9 | -70.4 | -47.5 | 0 | 0 | 0 | 116.3 | ||
| 1545 | L | 42.5 | Very low | 43 | Very low | 139 Ų | 139 | 129 Ų | 129 | 73% | 0.728 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -9.1 | -178.4 | -131.3 | 146.5 | 0 | 0 | 0 | 112.9 | H1543 L1549 | H1543-L1545 PolarHBondContact O-N 3.45Å; L1545-L1549 WeakPolarHBondContact O-CD1 3.25Å; L1545-L1549 WeakPolarHBondContact O-CG 3.04Å |
| 1546 | E | 50.9 | Low | 44.2 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 51% | 0.505 | 66% | 0.658 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.4 | -64.5 | -171.8 | -68.1 | -180 | 174.5 | 0 | 0 | 112.7 | H1543 C1548 L1549 | H1543-E1546 IonicContact CE1-OE1 1.8Å; H1543-E1546 IonicContact CE1-OE2 3.41Å; H1543-E1546 PolarHBondContact CE1-OE2 3.07Å; H1543-E1546 VanDerWaalsContact ND1-CD 3.33Å; H1543-E1546 IonicContact ND1-OE1 3.17Å; H1543-E1546 IonicContact ND1-OE2 2.93Å; H1543-E1546 PolarHBondContact ND1-OE2 2.87Å; H1543-E1546 PolarHBondContact O-N 3.34Å; H1543-E1546 VanDerWaalsContact O-N 3.13Å; E1546-C1548 PolarHBondContact O-N 2.75Å; E1546-L1549 WeakPolarHBondContact O-CB 3.25Å; E1546-L1549 PolarHBondContact O-N 2.71Å |
| 1547 | D | 49.2 | Very low | 45 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 77% | 0.765 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -73.1 | -27.7 | -173.9 | -72.8 | -18.1 | 0 | 0 | 0 | 114.2 | L1549 G1550 Q1551 | D1547-L1549 PolarHBondContact O-N 3.29Å; D1547-G1550 PolarHBondContact O-N 2.84Å; D1547-Q1551 PolarHBondContact O-N 3.41Å |
| 1548 | C | 41.8 | Very low | 45.5 | Very low | 89 Ų | 89 | 126.9 Ų | 126.9 | 60% | 0.601 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68 | -15.3 | 173.9 | -69.9 | 0 | 0 | 0 | 0 | 113.5 | E1546 | E1546-C1548 PolarHBondContact O-N 2.75Å |
| 1549 | L | 42.6 | Very low | 45.8 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 55% | 0.55 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -77.8 | -37 | 166.9 | -67.6 | 175.2 | 0 | 0 | 0 | 111.5 | L1545 E1546 D1547 Q1553 | L1545-L1549 WeakPolarHBondContact O-CD1 3.25Å; L1545-L1549 WeakPolarHBondContact O-CG 3.04Å; E1546-L1549 WeakPolarHBondContact O-CB 3.25Å; E1546-L1549 PolarHBondContact O-N 2.71Å; D1547-L1549 PolarHBondContact O-N 3.29Å; L1549-Q1553 PolarHBondContact O-N 3.2Å |
| 1550 | G | 46.4 | Very low | 46.7 | Very low | 39 Ų | 39 | 123.4 Ų | 123.4 | 40% | 0.402 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.5 | -50.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1547 L1552 Q1553 Y1554 | D1547-G1550 PolarHBondContact O-N 2.84Å; G1550-L1552 VanDerWaalsContact C-N 3.32Å; G1550-L1552 PolarHBondContact O-N 2.96Å; G1550-Q1553 PolarHBondContact O-N 2.8Å; G1550-Y1554 PolarHBondContact O-N 3.19Å |
| 1551 | Q | 53.2 | Low | 46.4 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 75% | 0.748 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.9 | -24.2 | -177.6 | -63.5 | -169 | 18.8 | 0 | 0 | 113.4 | D1547 Y1554 R1555 | D1547-Q1551 PolarHBondContact O-N 3.41Å; Q1551-Y1554 PolarHBondContact O-N 2.77Å; Q1551-R1555 PolarHBondContact O-N 3.35Å |
| 1552 | L | 46.6 | Very low | 46.2 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 60% | 0.597 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.3 | -34.5 | 171.8 | -110.6 | 163.8 | 0 | 0 | 0 | 111.8 | G1550 I1556 | G1550-L1552 VanDerWaalsContact C-N 3.32Å; G1550-L1552 PolarHBondContact O-N 2.96Å; L1552-I1556 HydrophobicContact CD2-CD1 4.41Å; L1552-I1556 VanDerWaalsContact O-CD1 3.28Å; L1552-I1556 WeakPolarHBondContact O-CD1 3.09Å; L1552-I1556 VanDerWaalsContact O-CG1 3.23Å; L1552-I1556 WeakPolarHBondContact O-CG1 2.88Å; L1552-I1556 PolarHBondContact O-N 2.72Å |
| 1553 | Q | 41 | Very low | 46.1 | Very low | 139 Ų | 139 | 118.4 Ų | 118.4 | 65% | 0.65 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.3 | -47.1 | 172.2 | -71.2 | -174.3 | -97.8 | 0 | 0 | 111.7 | L1549 G1550 I1556 E1557 | L1549-Q1553 PolarHBondContact O-N 3.2Å; G1550-Q1553 PolarHBondContact O-N 2.8Å; Q1553-I1556 PolarHBondContact O-N 2.98Å; Q1553-E1557 PolarHBondContact O-N 3.21Å |
| 1554 | Y | 50.8 | Low | 46.1 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.6 | -41.6 | -175.6 | -172.8 | -117 | 0 | 0 | 0 | 113.7 | G1550 Q1551 I1556 E1557 E1558 | G1550-Y1554 PolarHBondContact O-N 3.19Å; Q1551-Y1554 PolarHBondContact O-N 2.77Å; Y1554-I1556 PolarHBondContact O-N 2.62Å; Y1554-E1557 PolarHBondContact O-N 2.88Å; Y1554-E1558 PolarHBondContact O-N 2.78Å |
| 1555 | R | 53.5 | Low | 46.4 | Very low | 176 Ų | 176 | 119.5 Ų | 119.5 | 66% | 0.664 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.4 | -22.7 | 176.1 | -92.5 | -171.5 | 172.2 | 172.3 | 0.8 | 113.9 | Q1551 L1559 | Q1551-R1555 PolarHBondContact O-N 3.35Å; R1555-L1559 VanDerWaalsContact O-CB 3.27Å; R1555-L1559 WeakPolarHBondContact O-CB 3.06Å; R1555-L1559 WeakPolarHBondContact O-CD1 3.48Å; R1555-L1559 WeakPolarHBondContact O-CG 3.35Å; R1555-L1559 PolarHBondContact O-N 3.39Å |
| 1556 | I | 47.2 | Very low | 46.8 | Very low | 97 Ų | 97 | 116 Ų | 116 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.6 | -32.7 | 174.7 | -72.5 | 168.7 | 0 | 0 | 0 | 110.9 | L1552 Q1553 Y1554 C1560 | L1552-I1556 HydrophobicContact CD2-CD1 4.41Å; L1552-I1556 VanDerWaalsContact O-CD1 3.28Å; L1552-I1556 WeakPolarHBondContact O-CD1 3.09Å; L1552-I1556 VanDerWaalsContact O-CG1 3.23Å; L1552-I1556 WeakPolarHBondContact O-CG1 2.88Å; L1552-I1556 PolarHBondContact O-N 2.72Å; Q1553-I1556 PolarHBondContact O-N 2.98Å; Y1554-I1556 PolarHBondContact O-N 2.62Å; I1556-C1560 PolarHBondContact O-N 2.71Å; I1556-C1560 PolarHBondContact O-SG 2.81Å |
| 1557 | E | 44.6 | Very low | 46.5 | Very low | 128 Ų | 128 | 114.8 Ų | 114.8 | 60% | 0.598 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.8 | -48.1 | 174.4 | -66.7 | 179.5 | 130.9 | 0 | 0 | 111.5 | Q1553 Y1554 L1559 C1560 D1561 | Q1553-E1557 PolarHBondContact O-N 3.21Å; Y1554-E1557 PolarHBondContact O-N 2.88Å; E1557-L1559 VanDerWaalsContact C-N 3.29Å; E1557-L1559 PolarHBondContact O-N 3.15Å; E1557-C1560 WeakPolarHBondContact O-CB 3.35Å; E1557-C1560 PolarHBondContact O-N 3.46Å; E1557-D1561 PolarHBondContact O-N 2.72Å; E1557-D1561 VanDerWaalsContact O-N 3.15Å |
| 1558 | E | 45.8 | Very low | 47 | Very low | 95 Ų | 95 | 111.9 Ų | 111.9 | 44% | 0.444 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60 | -38.6 | 175.9 | -174.9 | 176.6 | -151.7 | 0 | 0 | 112.3 | Y1554 C1560 Q1562 | Y1554-E1558 PolarHBondContact O-N 2.78Å; E1558-C1560 VanDerWaalsContact C-N 3.26Å; E1558-C1560 PolarHBondContact O-N 2.66Å; E1558-Q1562 WeakPolarHBondContact O-CB 3.39Å; E1558-Q1562 WeakPolarHBondContact O-CG 3.2Å; E1558-Q1562 PolarHBondContact O-N 2.76Å; E1558-Q1562 VanDerWaalsContact O-N 3.14Å; E1558-Q1562 PolarHBondContact OE1-NE2 2.68Å |
| 1559 | L | 38.6 | Very low | 47.6 | Very low | 113 Ų | 113 | 109.6 Ų | 109.6 | 59% | 0.592 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.6 | -17.2 | 174.8 | -76.6 | 170.8 | 0 | 0 | 0 | 114 | R1555 E1557 H1563 | R1555-L1559 VanDerWaalsContact O-CB 3.27Å; R1555-L1559 WeakPolarHBondContact O-CB 3.06Å; R1555-L1559 WeakPolarHBondContact O-CD1 3.48Å; R1555-L1559 WeakPolarHBondContact O-CG 3.35Å; R1555-L1559 PolarHBondContact O-N 3.39Å; E1557-L1559 VanDerWaalsContact C-N 3.29Å; E1557-L1559 PolarHBondContact O-N 3.15Å; L1559-H1563 VanDerWaalsContact O-CB 3.31Å; L1559-H1563 WeakPolarHBondContact O-CB 3.45Å; L1559-H1563 PolarHBondContact O-N 3.3Å |
| 1560 | C | 52.4 | Low | 48.3 | Very low | 73 Ų | 73 | 108.5 Ų | 108.5 | 49% | 0.493 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -84.8 | -47.2 | 173.9 | -73.3 | 0 | 0 | 0 | 0 | 112 | I1556 E1557 E1558 Q1562 H1563 E1564 | I1556-C1560 PolarHBondContact O-N 2.71Å; I1556-C1560 PolarHBondContact O-SG 2.81Å; E1557-C1560 WeakPolarHBondContact O-CB 3.35Å; E1557-C1560 PolarHBondContact O-N 3.46Å; E1558-C1560 VanDerWaalsContact C-N 3.26Å; E1558-C1560 PolarHBondContact O-N 2.66Å; C1560-Q1562 PolarHBondContact O-N 3.27Å; C1560-H1563 WeakPolarHBondContact O-CA 3.42Å; C1560-H1563 WeakPolarHBondContact O-CB 3.37Å; C1560-H1563 PolarHBondContact O-N 3.44Å; C1560-E1564 PolarHBondContact O-N 3.34Å |
| 1561 | D | 44.1 | Very low | 48.6 | Very low | 129 Ų | 129 | 110.6 Ų | 110.6 | 69% | 0.69 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.4 | -36.4 | -179 | -75.5 | -8.7 | 0 | 0 | 0 | 111.9 | E1557 H1563 | E1557-D1561 PolarHBondContact O-N 2.72Å; E1557-D1561 VanDerWaalsContact O-N 3.15Å; D1561-H1563 PolarHBondContact O-N 2.66Å |
| 1562 | Q | 42.8 | Very low | 48.9 | Very low | 105 Ų | 105 | 108 Ų | 108 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.1 | -18.5 | 168.7 | -64.4 | -173.2 | 24.6 | 0 | 0 | 112.4 | E1558 C1560 T1566 | E1558-Q1562 WeakPolarHBondContact O-CB 3.39Å; E1558-Q1562 WeakPolarHBondContact O-CG 3.2Å; E1558-Q1562 PolarHBondContact O-N 2.76Å; E1558-Q1562 VanDerWaalsContact O-N 3.14Å; E1558-Q1562 PolarHBondContact OE1-NE2 2.68Å; C1560-Q1562 PolarHBondContact O-N 3.27Å; Q1562-T1566 WeakPolarHBondContact O-CB 3.38Å; Q1562-T1566 PolarHBondContact O-N 2.77Å; Q1562-T1566 PolarHBondContact O-OG1 2.82Å |
| 1563 | H | 44.1 | Very low | 49.7 | Very low | 108 Ų | 108 | 107.1 Ų | 107.1 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66 | -52.9 | 179.1 | -140.7 | 60.9 | 0 | 0 | 0 | 111.4 | L1559 C1560 D1561 T1566 Q1567 | L1559-H1563 VanDerWaalsContact O-CB 3.31Å; L1559-H1563 WeakPolarHBondContact O-CB 3.45Å; L1559-H1563 PolarHBondContact O-N 3.3Å; C1560-H1563 WeakPolarHBondContact O-CA 3.42Å; C1560-H1563 WeakPolarHBondContact O-CB 3.37Å; C1560-H1563 PolarHBondContact O-N 3.44Å; D1561-H1563 PolarHBondContact O-N 2.66Å; H1563-T1566 PolarHBondContact O-N 3.42Å; H1563-Q1567 PolarHBondContact NE2-NE2 2.85Å; H1563-Q1567 WeakPolarHBondContact O-CA 3.37Å; H1563-Q1567 WeakPolarHBondContact O-CB 3.49Å; H1563-Q1567 WeakPolarHBondContact O-CG 3.4Å; H1563-Q1567 PolarHBondContact O-N 3.29Å |
| 1564 | E | 47.5 | Very low | 50.5 | Low | 156 Ų | 156 | 104.4 Ų | 104.4 | 73% | 0.729 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68 | -43.9 | -174.7 | -67.3 | -156 | 133.5 | 0 | 0 | 112.3 | C1560 T1566 V1568 | C1560-E1564 PolarHBondContact O-N 3.34Å; E1564-T1566 PolarHBondContact O-N 2.94Å; E1564-V1568 WeakPolarHBondContact O-CB 3.09Å; E1564-V1568 VanDerWaalsContact O-CG2 3.26Å; E1564-V1568 WeakPolarHBondContact O-CG2 3.43Å; E1564-V1568 PolarHBondContact O-N 3.42Å |
| 1565 | I | 49.2 | Very low | 50.9 | Low | 133 Ų | 133 | 101.1 Ų | 101.1 | 68% | 0.682 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.5 | -43.2 | 179.4 | -59.4 | 178.6 | 0 | 0 | 0 | 110.6 | A1569 | I1565-A1569 WeakPolarHBondContact O-CB 3.4Å; I1565-A1569 PolarHBondContact O-N 2.86Å |
| 1566 | T | 50.5 | Low | 51.7 | Low | 66 Ų | 66 | 99 Ų | 99 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -81.4 | -31.2 | -178.2 | -37.6 | 0 | 0 | 0 | 0 | 112.5 | Q1562 H1563 E1564 A1569 I1570 | Q1562-T1566 WeakPolarHBondContact O-CB 3.38Å; Q1562-T1566 PolarHBondContact O-N 2.77Å; Q1562-T1566 PolarHBondContact O-OG1 2.82Å; H1563-T1566 PolarHBondContact O-N 3.42Å; E1564-T1566 PolarHBondContact O-N 2.94Å; T1566-A1569 PolarHBondContact O-N 3.14Å; T1566-I1570 HydrophobicContact CG2-CD1 3.83Å; T1566-I1570 HydrophobicContact CG2-CG1 4.23Å; T1566-I1570 WeakPolarHBondContact O-CB 3.2Å; T1566-I1570 WeakPolarHBondContact O-CG1 3.2Å; T1566-I1570 PolarHBondContact O-N 3.23Å |
| 1567 | Q | 45.1 | Very low | 52.4 | Low | 82 Ų | 82 | 98.4 Ų | 98.4 | 38% | 0.383 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 168.8 | -74.9 | -88.1 | 19.3 | 0 | 0 | 110.2 | H1563 I1570 I1571 | H1563-Q1567 PolarHBondContact NE2-NE2 2.85Å; H1563-Q1567 WeakPolarHBondContact O-CA 3.37Å; H1563-Q1567 WeakPolarHBondContact O-CB 3.49Å; H1563-Q1567 WeakPolarHBondContact O-CG 3.4Å; H1563-Q1567 PolarHBondContact O-N 3.29Å; Q1567-I1570 PolarHBondContact O-N 3.43Å; Q1567-I1571 WeakPolarHBondContact O-CB 3.44Å; Q1567-I1571 WeakPolarHBondContact O-CD1 3.43Å; Q1567-I1571 WeakPolarHBondContact O-CG1 3.48Å; Q1567-I1571 PolarHBondContact O-N 2.82Å |
| 1568 | V | 59 | Low | 53.5 | Low | 82 Ų | 82 | 98.7 Ų | 98.7 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.8 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | E1564 I1571 I1572 | E1564-V1568 WeakPolarHBondContact O-CB 3.09Å; E1564-V1568 VanDerWaalsContact O-CG2 3.26Å; E1564-V1568 WeakPolarHBondContact O-CG2 3.43Å; E1564-V1568 PolarHBondContact O-N 3.42Å; V1568-I1571 PolarHBondContact O-N 3.24Å; V1568-I1572 HydrophobicContact CG1-CD1 3.73Å; V1568-I1572 HydrophobicContact CG1-CG1 4.4Å; V1568-I1572 VanDerWaalsContact O-CB 3.3Å; V1568-I1572 WeakPolarHBondContact O-CB 3.25Å; V1568-I1572 WeakPolarHBondContact O-CG1 3.37Å; V1568-I1572 PolarHBondContact O-N 2.87Å |
| 1569 | A | 55.7 | Low | 54.4 | Low | 41 Ų | 41 | 98.6 Ų | 98.6 | 34% | 0.339 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1565 T1566 I1572 I1573 | I1565-A1569 WeakPolarHBondContact O-CB 3.4Å; I1565-A1569 PolarHBondContact O-N 2.86Å; T1566-A1569 PolarHBondContact O-N 3.14Å; A1569-I1572 PolarHBondContact O-N 2.94Å; A1569-I1573 WeakPolarHBondContact O-CB 3.03Å; A1569-I1573 WeakPolarHBondContact O-CD1 3.04Å; A1569-I1573 WeakPolarHBondContact O-CG1 3.3Å; A1569-I1573 PolarHBondContact O-N 3.18Å |
| 1570 | I | 55.8 | Low | 55.7 | Low | 81 Ų | 81 | 100.1 Ų | 100.1 | 42% | 0.415 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.1 | -38.3 | 178 | -72.7 | 169.4 | 0 | 0 | 0 | 111.1 | T1566 Q1567 I1573 I1574 | T1566-I1570 HydrophobicContact CG2-CD1 3.83Å; T1566-I1570 HydrophobicContact CG2-CG1 4.23Å; T1566-I1570 WeakPolarHBondContact O-CB 3.2Å; T1566-I1570 WeakPolarHBondContact O-CG1 3.2Å; T1566-I1570 PolarHBondContact O-N 3.23Å; Q1567-I1570 PolarHBondContact O-N 3.43Å; I1570-I1573 PolarHBondContact O-N 2.89Å; I1570-I1574 HydrophobicContact CG2-CD1 3.55Å; I1570-I1574 HydrophobicContact CG2-CG1 4.16Å; I1570-I1574 VanDerWaalsContact O-CB 3.22Å; I1570-I1574 WeakPolarHBondContact O-CB 2.85Å; I1570-I1574 WeakPolarHBondContact O-CG1 3.41Å; I1570-I1574 PolarHBondContact O-N 3.15Å |
| 1571 | I | 54.2 | Low | 56.1 | Low | 84 Ų | 84 | 102.1 Ų | 102.1 | 43% | 0.431 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 173.8 | -73 | 166 | 0 | 0 | 0 | 109.7 | Q1567 V1568 I1574 I1575 | Q1567-I1571 WeakPolarHBondContact O-CB 3.44Å; Q1567-I1571 WeakPolarHBondContact O-CD1 3.43Å; Q1567-I1571 WeakPolarHBondContact O-CG1 3.48Å; Q1567-I1571 PolarHBondContact O-N 2.82Å; V1568-I1571 PolarHBondContact O-N 3.24Å; I1571-I1574 PolarHBondContact O-N 3.3Å; I1571-I1575 HydrophobicContact CG2-CD1 3.61Å; I1571-I1575 HydrophobicContact CG2-CG1 4.31Å; I1571-I1575 WeakPolarHBondContact O-CB 2.99Å; I1571-I1575 WeakPolarHBondContact O-CG1 3.35Å; I1571-I1575 PolarHBondContact O-N 3.28Å |
| 1572 | I | 58.5 | Low | 57.2 | Low | 104 Ų | 104 | 100.4 Ų | 100.4 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 172.7 | -71.6 | 169.2 | 0 | 0 | 0 | 110.5 | V1568 A1569 I1575 F1576 | V1568-I1572 HydrophobicContact CG1-CD1 3.73Å; V1568-I1572 HydrophobicContact CG1-CG1 4.4Å; V1568-I1572 VanDerWaalsContact O-CB 3.3Å; V1568-I1572 WeakPolarHBondContact O-CB 3.25Å; V1568-I1572 WeakPolarHBondContact O-CG1 3.37Å; V1568-I1572 PolarHBondContact O-N 2.87Å; A1569-I1572 PolarHBondContact O-N 2.94Å; I1572-I1575 PolarHBondContact O-N 3.48Å; I1572-F1576 WeakPolarHBondContact O-CA 3.06Å; I1572-F1576 WeakPolarHBondContact O-CB 3.25Å; I1572-F1576 PolarHBondContact O-N 3.24Å |
| 1573 | I | 63.4 | Low | 58.4 | Low | 96 Ų | 96 | 100.5 Ų | 100.5 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -37.4 | 178.4 | -72.4 | 165 | 0 | 0 | 0 | 111.6 | A1569 I1570 N1577 | A1569-I1573 WeakPolarHBondContact O-CB 3.03Å; A1569-I1573 WeakPolarHBondContact O-CD1 3.04Å; A1569-I1573 WeakPolarHBondContact O-CG1 3.3Å; A1569-I1573 PolarHBondContact O-N 3.18Å; I1570-I1573 PolarHBondContact O-N 2.89Å; I1573-N1577 WeakPolarHBondContact O-CB 3.01Å; I1573-N1577 VanDerWaalsContact O-CG 3.25Å; I1573-N1577 PolarHBondContact O-N 3.47Å; I1573-N1577 PolarHBondContact O-ND2 2.74Å |
| 1574 | I | 58 | Low | 59.5 | Low | 82 Ų | 82 | 102.2 Ų | 102.2 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73 | -39.7 | 176.2 | -72 | 173.5 | 0 | 0 | 0 | 110.8 | I1570 I1571 K1578 | I1570-I1574 HydrophobicContact CG2-CD1 3.55Å; I1570-I1574 HydrophobicContact CG2-CG1 4.16Å; I1570-I1574 VanDerWaalsContact O-CB 3.22Å; I1570-I1574 WeakPolarHBondContact O-CB 2.85Å; I1570-I1574 WeakPolarHBondContact O-CG1 3.41Å; I1570-I1574 PolarHBondContact O-N 3.15Å; I1571-I1574 PolarHBondContact O-N 3.3Å; I1574-K1578 HydrophobicContact CG2-CD 4.07Å; I1574-K1578 HydrophobicContact CG2-CG 4.42Å; I1574-K1578 WeakPolarHBondContact O-CB 3.4Å; I1574-K1578 VanDerWaalsContact O-CG 3.25Å; I1574-K1578 WeakPolarHBondContact O-CG 3.33Å; I1574-K1578 PolarHBondContact O-N 2.92Å |
| 1575 | I | 60 | Low | 60.3 | Low | 93 Ų | 93 | 98.2 Ų | 98.2 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.9 | -42.2 | 174 | -72.2 | 172.6 | 0 | 0 | 0 | 110 | I1571 I1572 K1578 L1579 | I1571-I1575 HydrophobicContact CG2-CD1 3.61Å; I1571-I1575 HydrophobicContact CG2-CG1 4.31Å; I1571-I1575 WeakPolarHBondContact O-CB 2.99Å; I1571-I1575 WeakPolarHBondContact O-CG1 3.35Å; I1571-I1575 PolarHBondContact O-N 3.28Å; I1572-I1575 PolarHBondContact O-N 3.48Å; I1575-K1578 PolarHBondContact O-N 2.68Å; I1575-L1579 HydrophobicContact CG2-CD1 3.78Å; I1575-L1579 HydrophobicContact CG2-CG 4.34Å; I1575-L1579 VanDerWaalsContact O-CB 3.23Å; I1575-L1579 WeakPolarHBondContact O-CB 3.15Å; I1575-L1579 VanDerWaalsContact O-CG 3.26Å; I1575-L1579 WeakPolarHBondContact O-CG 2.99Å; I1575-L1579 PolarHBondContact O-N 2.63Å |
| 1576 | F | 69.5 | Low | 61.2 | Low | 131 Ų | 131 | 99.8 Ų | 99.8 | 58% | 0.575 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.4 | -37.5 | 177.8 | -159.7 | -92 | 0 | 0 | 0 | 111.5 | I1572 L1579 R1580 | I1572-F1576 WeakPolarHBondContact O-CA 3.06Å; I1572-F1576 WeakPolarHBondContact O-CB 3.25Å; I1572-F1576 PolarHBondContact O-N 3.24Å; F1576-L1579 PolarHBondContact O-N 3.41Å; F1576-R1580 WeakPolarHBondContact O-CB 3.37Å; F1576-R1580 PolarHBondContact O-N 2.97Å |
| 1577 | N | 62.7 | Low | 61.9 | Low | 84 Ų | 84 | 104.9 Ų | 104.9 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.1 | -37.5 | 172.4 | -77.7 | -30.2 | 0 | 0 | 0 | 112.3 | I1573 R1580 H1581 | I1573-N1577 WeakPolarHBondContact O-CB 3.01Å; I1573-N1577 VanDerWaalsContact O-CG 3.25Å; I1573-N1577 PolarHBondContact O-N 3.47Å; I1573-N1577 PolarHBondContact O-ND2 2.74Å; N1577-R1580 PolarHBondContact O-N 2.86Å; N1577-H1581 WeakPolarHBondContact O-CB 3.41Å; N1577-H1581 PolarHBondContact O-N 2.58Å |
| 1578 | K | 65.9 | Low | 63 | Low | 135 Ų | 135 | 108.3 Ų | 108.3 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.9 | -37.9 | 170.9 | -78.8 | 179.9 | 176.7 | -179.2 | 0 | 111.7 | I1574 I1575 N1582 | I1574-K1578 HydrophobicContact CG2-CD 4.07Å; I1574-K1578 HydrophobicContact CG2-CG 4.42Å; I1574-K1578 WeakPolarHBondContact O-CB 3.4Å; I1574-K1578 VanDerWaalsContact O-CG 3.25Å; I1574-K1578 WeakPolarHBondContact O-CG 3.33Å; I1574-K1578 PolarHBondContact O-N 2.92Å; I1575-K1578 PolarHBondContact O-N 2.68Å; K1578-N1582 WeakPolarHBondContact O-CA 3.19Å; K1578-N1582 WeakPolarHBondContact O-CB 3.07Å; K1578-N1582 PolarHBondContact O-N 2.99Å; K1578-N1582 PolarHBondContact O-ND2 3.49Å |
| 1579 | L | 64.8 | Low | 63.2 | Low | 93 Ų | 93 | 108.8 Ų | 108.8 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70 | -38.8 | 172.8 | -77 | 169.4 | 0 | 0 | 0 | 111.6 | I1575 F1576 M1583 | I1575-L1579 HydrophobicContact CG2-CD1 3.78Å; I1575-L1579 HydrophobicContact CG2-CG 4.34Å; I1575-L1579 VanDerWaalsContact O-CB 3.23Å; I1575-L1579 WeakPolarHBondContact O-CB 3.15Å; I1575-L1579 VanDerWaalsContact O-CG 3.26Å; I1575-L1579 WeakPolarHBondContact O-CG 2.99Å; I1575-L1579 PolarHBondContact O-N 2.63Å; F1576-L1579 PolarHBondContact O-N 3.41Å; L1579-M1583 WeakPolarHBondContact O-CB 3.47Å; L1579-M1583 VanDerWaalsContact O-CG 3.23Å; L1579-M1583 WeakPolarHBondContact O-CG 2.99Å; L1579-M1583 PolarHBondContact O-N 3.21Å |
| 1580 | R | 65.7 | Low | 63.7 | Low | 145 Ų | 145 | 109.8 Ų | 109.8 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.2 | -35.4 | 176.4 | -166.9 | 178.9 | -165.9 | -164.2 | 5.5 | 111.6 | F1576 N1577 K1584 | F1576-R1580 WeakPolarHBondContact O-CB 3.37Å; F1576-R1580 PolarHBondContact O-N 2.97Å; N1577-R1580 PolarHBondContact O-N 2.86Å; R1580-K1584 WeakPolarHBondContact O-CB 3.07Å; R1580-K1584 VanDerWaalsContact O-CG 3.32Å; R1580-K1584 WeakPolarHBondContact O-CG 3.24Å; R1580-K1584 PolarHBondContact O-N 3.42Å |
| 1581 | H | 62.5 | Low | 63.9 | Low | 114 Ų | 114 | 109.4 Ų | 109.4 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.4 | -45.2 | 173.1 | -170.1 | 75.3 | 0 | 0 | 0 | 110.9 | N1577 M1583 K1584 I1585 | N1577-H1581 WeakPolarHBondContact O-CB 3.41Å; N1577-H1581 PolarHBondContact O-N 2.58Å; H1581-M1583 VanDerWaalsContact C-N 3.32Å; H1581-M1583 PolarHBondContact O-N 3.15Å; H1581-K1584 CarbonylContact O-C 3.14Å; H1581-K1584 WeakPolarHBondContact O-CB 3.28Å; H1581-K1584 PolarHBondContact O-N 3.36Å; H1581-K1584 VanDerWaalsContact O-N 3.11Å; H1581-I1585 WeakPolarHBondContact NE2-CD1 3.26Å; H1581-I1585 WeakPolarHBondContact O-CB 2.93Å; H1581-I1585 WeakPolarHBondContact O-CG1 3.35Å; H1581-I1585 PolarHBondContact O-N 2.95Å |
| 1582 | N | 65.6 | Low | 64.4 | Low | 94 Ų | 94 | 110.1 Ų | 110.1 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -32.7 | 172.9 | -74.5 | -9.6 | 0 | 0 | 0 | 112.2 | K1578 R1586 | K1578-N1582 WeakPolarHBondContact O-CA 3.19Å; K1578-N1582 WeakPolarHBondContact O-CB 3.07Å; K1578-N1582 PolarHBondContact O-N 2.99Å; K1578-N1582 PolarHBondContact O-ND2 3.49Å; N1582-R1586 WeakPolarHBondContact O-CA 2.91Å; N1582-R1586 WeakPolarHBondContact O-CB 3.31Å; N1582-R1586 PolarHBondContact O-N 3.42Å |
| 1583 | M | 67.8 | Low | 64.9 | Low | 106 Ų | 106 | 110.5 Ų | 110.5 | 52% | 0.522 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74.8 | -29.4 | 171.2 | -76.6 | -169.4 | -62.1 | 0 | 0 | 112.2 | L1579 H1581 R1587 | L1579-M1583 WeakPolarHBondContact O-CB 3.47Å; L1579-M1583 VanDerWaalsContact O-CG 3.23Å; L1579-M1583 WeakPolarHBondContact O-CG 2.99Å; L1579-M1583 PolarHBondContact O-N 3.21Å; H1581-M1583 VanDerWaalsContact C-N 3.32Å; H1581-M1583 PolarHBondContact O-N 3.15Å; M1583-R1587 WeakPolarHBondContact O-CB 3.47Å; M1583-R1587 VanDerWaalsContact O-CG 3.27Å; M1583-R1587 WeakPolarHBondContact O-CG 2.72Å; M1583-R1587 PolarHBondContact O-N 2.86Å |
| 1584 | K | 68.9 | Low | 65 | Low | 144 Ų | 144 | 112 Ų | 112 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.1 | -41.8 | 169.7 | -82.5 | -177.3 | 173.4 | -166.5 | 0 | 111.8 | R1580 H1581 K1588 | R1580-K1584 WeakPolarHBondContact O-CB 3.07Å; R1580-K1584 VanDerWaalsContact O-CG 3.32Å; R1580-K1584 WeakPolarHBondContact O-CG 3.24Å; R1580-K1584 PolarHBondContact O-N 3.42Å; H1581-K1584 CarbonylContact O-C 3.14Å; H1581-K1584 WeakPolarHBondContact O-CB 3.28Å; H1581-K1584 PolarHBondContact O-N 3.36Å; H1581-K1584 VanDerWaalsContact O-N 3.11Å; K1584-K1588 WeakPolarHBondContact O-CB 3.49Å; K1584-K1588 PolarHBondContact O-N 2.74Å |
| 1585 | I | 63.5 | Low | 65.6 | Low | 72 Ų | 72 | 113.4 Ų | 113.4 | 37% | 0.369 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.5 | -48.8 | 174.3 | -72.3 | 173.1 | 0 | 0 | 0 | 109.9 | H1581 K1588 L1589 | H1581-I1585 WeakPolarHBondContact NE2-CD1 3.26Å; H1581-I1585 WeakPolarHBondContact O-CB 2.93Å; H1581-I1585 WeakPolarHBondContact O-CG1 3.35Å; H1581-I1585 PolarHBondContact O-N 2.95Å; I1585-K1588 CarbonylContact O-C 2.88Å; I1585-K1588 PolarHBondContact O-N 2.87Å; I1585-K1588 VanDerWaalsContact O-N 3.13Å; I1585-L1589 HydrophobicContact CG2-CD1 3.77Å; I1585-L1589 HydrophobicContact CG2-CG 4.32Å; I1585-L1589 WeakPolarHBondContact O-CB 3.38Å; I1585-L1589 WeakPolarHBondContact O-CG 3.21Å; I1585-L1589 PolarHBondContact O-N 3.02Å |
| 1586 | R | 67.1 | Low | 65.5 | Low | 166 Ų | 166 | 115.5 Ų | 115.5 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -39.9 | 180 | -157.5 | -170 | -164.3 | -122 | 8 | 110.9 | N1582 L1589 E1590 | N1582-R1586 WeakPolarHBondContact O-CA 2.91Å; N1582-R1586 WeakPolarHBondContact O-CB 3.31Å; N1582-R1586 PolarHBondContact O-N 3.42Å; R1586-L1589 CarbonylContact O-C 3.46Å; R1586-L1589 PolarHBondContact O-N 2.97Å; R1586-E1590 WeakPolarHBondContact CD-OE1 3.48Å; R1586-E1590 HydrophobicContact CG-CG 4.22Å; R1586-E1590 WeakPolarHBondContact CG-OE1 3.23Å; R1586-E1590 IonicContact CZ-OE1 3.04Å; R1586-E1590 IonicContact NE-OE1 2.92Å; R1586-E1590 PolarHBondContact NE-OE1 3.47Å; R1586-E1590 IonicContact NH1-OE1 3.37Å; R1586-E1590 PolarHBondContact NH1-OE1 2.93Å; R1586-E1590 WeakPolarHBondContact O-CA 3.24Å; R1586-E1590 WeakPolarHBondContact O-CB 3.33Å; R1586-E1590 WeakPolarHBondContact O-CG 3.33Å; R1586-E1590 PolarHBondContact O-N 2.64Å |
| 1587 | R | 65.6 | Low | 65.7 | Low | 174 Ų | 174 | 113.1 Ų | 113.1 | 66% | 0.657 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.2 | -34.2 | 169.3 | -75.6 | -179.1 | 173.1 | 174.8 | -2.8 | 113.5 | M1583 C1591 | M1583-R1587 WeakPolarHBondContact O-CB 3.47Å; M1583-R1587 VanDerWaalsContact O-CG 3.27Å; M1583-R1587 WeakPolarHBondContact O-CG 2.72Å; M1583-R1587 PolarHBondContact O-N 2.86Å; R1587-C1591 WeakPolarHBondContact O-CB 3.3Å; R1587-C1591 PolarHBondContact O-N 3.42Å; R1587-C1591 PolarHBondContact O-SG 2.79Å |
| 1588 | K | 69.6 | Low | 66.1 | Low | 153 Ų | 153 | 112.5 Ų | 112.5 | 67% | 0.665 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 170.4 | -91 | -159.7 | 169.2 | -163.3 | 0 | 111.3 | K1584 I1585 Q1592 | K1584-K1588 WeakPolarHBondContact O-CB 3.49Å; K1584-K1588 PolarHBondContact O-N 2.74Å; I1585-K1588 CarbonylContact O-C 2.88Å; I1585-K1588 PolarHBondContact O-N 2.87Å; I1585-K1588 VanDerWaalsContact O-N 3.13Å; K1588-Q1592 WeakPolarHBondContact O-CB 3.48Å; K1588-Q1592 WeakPolarHBondContact O-CG 3.45Å; K1588-Q1592 PolarHBondContact O-N 3.16Å; K1588-Q1592 PolarHBondContact O-OE1 2.82Å |
| 1589 | L | 62.5 | Low | 66.5 | Low | 92 Ų | 92 | 110 Ų | 110 | 48% | 0.482 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.6 | -34.7 | 178 | -70.4 | 172 | 0 | 0 | 0 | 112.7 | I1585 R1586 L1593 | I1585-L1589 HydrophobicContact CG2-CD1 3.77Å; I1585-L1589 HydrophobicContact CG2-CG 4.32Å; I1585-L1589 WeakPolarHBondContact O-CB 3.38Å; I1585-L1589 WeakPolarHBondContact O-CG 3.21Å; I1585-L1589 PolarHBondContact O-N 3.02Å; R1586-L1589 CarbonylContact O-C 3.46Å; R1586-L1589 PolarHBondContact O-N 2.97Å; L1589-L1593 WeakPolarHBondContact O-CB 3.26Å; L1589-L1593 WeakPolarHBondContact O-CD1 3.35Å; L1589-L1593 WeakPolarHBondContact O-CG 3.32Å; L1589-L1593 PolarHBondContact O-N 2.78Å |
| 1590 | E | 66.8 | Low | 66.4 | Low | 63 Ų | 63 | 109.5 Ų | 109.5 | 29% | 0.294 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.8 | -48.7 | 174.2 | -74.7 | 160.3 | 163.6 | 0 | 0 | 109.3 | R1586 Q1592 L1593 E1594 | R1586-E1590 WeakPolarHBondContact CD-OE1 3.48Å; R1586-E1590 HydrophobicContact CG-CG 4.22Å; R1586-E1590 WeakPolarHBondContact CG-OE1 3.23Å; R1586-E1590 IonicContact CZ-OE1 3.04Å; R1586-E1590 IonicContact NE-OE1 2.92Å; R1586-E1590 PolarHBondContact NE-OE1 3.47Å; R1586-E1590 IonicContact NH1-OE1 3.37Å; R1586-E1590 PolarHBondContact NH1-OE1 2.93Å; R1586-E1590 WeakPolarHBondContact O-CA 3.24Å; R1586-E1590 WeakPolarHBondContact O-CB 3.33Å; R1586-E1590 WeakPolarHBondContact O-CG 3.33Å; R1586-E1590 PolarHBondContact O-N 2.64Å; E1590-Q1592 VanDerWaalsContact C-N 3.34Å; E1590-Q1592 PolarHBondContact O-N 3.49Å; E1590-L1593 CarbonylContact O-C 3.13Å; E1590-L1593 PolarHBondContact O-N 3.23Å; E1590-L1593 VanDerWaalsContact O-N 3.15Å; E1590-E1594 WeakPolarHBondContact O-CB 3.32Å; E1590-E1594 VanDerWaalsContact O-CG 3.27Å; E1590-E1594 WeakPolarHBondContact O-CG 3.5Å; E1590-E1594 PolarHBondContact O-N 2.7Å |
| 1591 | C | 58.9 | Low | 66.6 | Low | 72 Ų | 72 | 106.1 Ų | 106.1 | 49% | 0.486 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.5 | -30.6 | 173.8 | -65 | 0 | 0 | 0 | 0 | 112.8 | R1587 E1595 | R1587-C1591 WeakPolarHBondContact O-CB 3.3Å; R1587-C1591 PolarHBondContact O-N 3.42Å; R1587-C1591 PolarHBondContact O-SG 2.79Å; C1591-E1595 WeakPolarHBondContact O-CA 3.47Å; C1591-E1595 WeakPolarHBondContact O-CB 3.12Å; C1591-E1595 PolarHBondContact O-N 3.27Å |
| 1592 | Q | 66 | Low | 67.2 | Low | 99 Ų | 99 | 108.3 Ų | 108.3 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -74.8 | -26.8 | 171.2 | -77.8 | 178.3 | -48.4 | 0 | 0 | 112.5 | K1588 E1590 Q1596 | K1588-Q1592 WeakPolarHBondContact O-CB 3.48Å; K1588-Q1592 WeakPolarHBondContact O-CG 3.45Å; K1588-Q1592 PolarHBondContact O-N 3.16Å; K1588-Q1592 PolarHBondContact O-OE1 2.82Å; E1590-Q1592 VanDerWaalsContact C-N 3.34Å; E1590-Q1592 PolarHBondContact O-N 3.49Å; Q1592-Q1596 WeakPolarHBondContact O-CB 2.9Å; Q1592-Q1596 VanDerWaalsContact O-CG 3.31Å; Q1592-Q1596 WeakPolarHBondContact O-CG 3.16Å; Q1592-Q1596 PolarHBondContact O-N 2.75Å |
| 1593 | L | 67.1 | Low | 67 | Low | 113 Ų | 113 | 108.3 Ų | 108.3 | 59% | 0.592 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -78.3 | -34.5 | 170.4 | -80.4 | 164.8 | 0 | 0 | 0 | 111.2 | L1589 E1590 D1597 | L1589-L1593 WeakPolarHBondContact O-CB 3.26Å; L1589-L1593 WeakPolarHBondContact O-CD1 3.35Å; L1589-L1593 WeakPolarHBondContact O-CG 3.32Å; L1589-L1593 PolarHBondContact O-N 2.78Å; E1590-L1593 CarbonylContact O-C 3.13Å; E1590-L1593 PolarHBondContact O-N 3.23Å; E1590-L1593 VanDerWaalsContact O-N 3.15Å; L1593-D1597 VanDerWaalsContact O-CB 3.28Å; L1593-D1597 WeakPolarHBondContact O-CB 3.13Å; L1593-D1597 PolarHBondContact O-N 2.73Å |
| 1594 | E | 65.9 | Low | 67.1 | Low | 128 Ų | 128 | 107.5 Ų | 107.5 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.7 | -35.3 | 172 | -71.6 | 169.2 | 162.9 | 0 | 0 | 111 | E1590 S1598 | E1590-E1594 WeakPolarHBondContact O-CB 3.32Å; E1590-E1594 VanDerWaalsContact O-CG 3.27Å; E1590-E1594 WeakPolarHBondContact O-CG 3.5Å; E1590-E1594 PolarHBondContact O-N 2.7Å; E1594-S1598 WeakPolarHBondContact O-CA 3.27Å; E1594-S1598 WeakPolarHBondContact O-CB 3.46Å; E1594-S1598 PolarHBondContact O-N 2.84Å; E1594-S1598 PolarHBondContact O-OG 3.3Å |
| 1595 | E | 71.1 | Confident | 66.9 | Low | 110 Ų | 110 | 104.7 Ų | 104.7 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.6 | -46 | 169.3 | -177.6 | 172.1 | -142.4 | 0 | 0 | 110.1 | C1591 S1598 I1599 | C1591-E1595 WeakPolarHBondContact O-CA 3.47Å; C1591-E1595 WeakPolarHBondContact O-CB 3.12Å; C1591-E1595 PolarHBondContact O-N 3.27Å; E1595-S1598 WeakPolarHBondContact CA-OG 3.28Å; E1595-S1598 PolarHBondContact O-N 3.31Å; E1595-S1598 PolarHBondContact O-OG 3.19Å; E1595-I1599 HydrophobicContact CG-CD1 3.78Å; E1595-I1599 WeakPolarHBondContact O-CB 2.98Å; E1595-I1599 WeakPolarHBondContact O-CG1 3.49Å; E1595-I1599 PolarHBondContact O-N 3.31Å |
| 1596 | Q | 58.2 | Low | 66.9 | Low | 138 Ų | 138 | 104.8 Ų | 104.8 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.3 | -33.4 | 174.9 | -77.2 | -164.8 | -0.9 | 0 | 0 | 113.7 | Q1592 L1600 | Q1592-Q1596 WeakPolarHBondContact O-CB 2.9Å; Q1592-Q1596 VanDerWaalsContact O-CG 3.31Å; Q1592-Q1596 WeakPolarHBondContact O-CG 3.16Å; Q1592-Q1596 PolarHBondContact O-N 2.75Å; Q1596-L1600 WeakPolarHBondContact O-CA 3.46Å; Q1596-L1600 WeakPolarHBondContact O-CB 3.17Å; Q1596-L1600 PolarHBondContact O-N 3.47Å |
| 1597 | D | 73.6 | Confident | 66.5 | Low | 81 Ų | 81 | 102 Ų | 102 | 43% | 0.433 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -78.2 | -29.8 | 173.5 | -112.1 | -28.1 | 0 | 0 | 0 | 111.5 | L1593 N1601 | L1593-D1597 VanDerWaalsContact O-CB 3.28Å; L1593-D1597 WeakPolarHBondContact O-CB 3.13Å; L1593-D1597 PolarHBondContact O-N 2.73Å; D1597-N1601 WeakPolarHBondContact O-CA 3.18Å; D1597-N1601 WeakPolarHBondContact O-CB 3.19Å; D1597-N1601 PolarHBondContact O-N 3.37Å; D1597-N1601 PolarHBondContact O-ND2 3.44Å; D1597-N1601 PolarHBondContact OD1-ND2 3.24Å |
| 1598 | S | 70.3 | Confident | 66.4 | Low | 71 Ų | 71 | 99.4 Ų | 99.4 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.5 | -39 | 171.6 | 60 | 0 | 0 | 0 | 0 | 111.4 | E1594 E1595 R1602 | E1594-S1598 WeakPolarHBondContact O-CA 3.27Å; E1594-S1598 WeakPolarHBondContact O-CB 3.46Å; E1594-S1598 PolarHBondContact O-N 2.84Å; E1594-S1598 PolarHBondContact O-OG 3.3Å; E1595-S1598 WeakPolarHBondContact CA-OG 3.28Å; E1595-S1598 PolarHBondContact O-N 3.31Å; E1595-S1598 PolarHBondContact O-OG 3.19Å; S1598-R1602 WeakPolarHBondContact O-CA 3.45Å; S1598-R1602 WeakPolarHBondContact O-CB 3.26Å; S1598-R1602 PolarHBondContact O-N 3.18Å |
| 1599 | I | 74.4 | Confident | 66.3 | Low | 83 Ų | 83 | 95.1 Ų | 95.1 | 43% | 0.426 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 169.1 | -70 | 168.7 | 0 | 0 | 0 | 110.6 | E1595 R1602 L1603 | E1595-I1599 HydrophobicContact CG-CD1 3.78Å; E1595-I1599 WeakPolarHBondContact O-CB 2.98Å; E1595-I1599 WeakPolarHBondContact O-CG1 3.49Å; E1595-I1599 PolarHBondContact O-N 3.31Å; I1599-R1602 PolarHBondContact O-N 2.97Å; I1599-L1603 HydrophobicContact CG2-CD1 3.73Å; I1599-L1603 HydrophobicContact CG2-CG 4.24Å; I1599-L1603 WeakPolarHBondContact O-CB 3.23Å; I1599-L1603 WeakPolarHBondContact O-CG 3.41Å; I1599-L1603 PolarHBondContact O-N 2.67Å |
| 1600 | L | 64 | Low | 65.8 | Low | 82 Ų | 82 | 94.4 Ų | 94.4 | 43% | 0.429 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.7 | -36 | -179.5 | 179.3 | 65.6 | 0 | 0 | 0 | 111.8 | Q1596 K1604 | Q1596-L1600 WeakPolarHBondContact O-CA 3.46Å; Q1596-L1600 WeakPolarHBondContact O-CB 3.17Å; Q1596-L1600 PolarHBondContact O-N 3.47Å; L1600-K1604 HydrophobicContact CG-CD 4.29Å; L1600-K1604 VanDerWaalsContact O-CB 3.28Å; L1600-K1604 WeakPolarHBondContact O-CB 3.18Å; L1600-K1604 WeakPolarHBondContact O-CD 3.31Å; L1600-K1604 WeakPolarHBondContact O-CG 3.35Å; L1600-K1604 PolarHBondContact O-N 2.96Å |
| 1601 | N | 69.4 | Low | 65.4 | Low | 73 Ų | 73 | 94 Ų | 94 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.3 | -33 | 174.5 | -65 | -43.3 | 0 | 0 | 0 | 111.3 | D1597 K1604 S1605 | D1597-N1601 WeakPolarHBondContact O-CA 3.18Å; D1597-N1601 WeakPolarHBondContact O-CB 3.19Å; D1597-N1601 PolarHBondContact O-N 3.37Å; D1597-N1601 PolarHBondContact O-ND2 3.44Å; D1597-N1601 PolarHBondContact OD1-ND2 3.24Å; N1601-K1604 PolarHBondContact O-N 3.22Å; N1601-K1604 WeakPolarHBondContact OD1-CD 3.37Å; N1601-K1604 PolarHBondContact OD1-NZ 2.71Å; N1601-S1605 WeakPolarHBondContact O-CB 3.27Å; N1601-S1605 PolarHBondContact O-N 3.06Å; N1601-S1605 PolarHBondContact O-OG 3.32Å; N1601-S1605 VanDerWaalsContact O-OG 3.12Å |
| 1602 | R | 74.8 | Confident | 65.6 | Low | 160 Ų | 160 | 94.9 Ų | 94.9 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.1 | -50.6 | 166.1 | 176.9 | 178 | 170.1 | -168.6 | -8.8 | 111 | S1598 I1599 K1604 S1605 E1606 | S1598-R1602 WeakPolarHBondContact O-CA 3.45Å; S1598-R1602 WeakPolarHBondContact O-CB 3.26Å; S1598-R1602 PolarHBondContact O-N 3.18Å; I1599-R1602 PolarHBondContact O-N 2.97Å; R1602-K1604 VanDerWaalsContact C-N 3.31Å; R1602-K1604 PolarHBondContact O-N 3.07Å; R1602-S1605 CarbonylContact O-C 3.58Å; R1602-S1605 PolarHBondContact O-N 3.47Å; R1602-S1605 VanDerWaalsContact O-N 3.1Å; R1602-E1606 HydrophobicContact CG-CG 4.3Å; R1602-E1606 IonicContact CZ-OE1 3.49Å; R1602-E1606 VanDerWaalsContact CZ-OE1 3.29Å; R1602-E1606 IonicContact NE-OE1 2.86Å; R1602-E1606 PolarHBondContact NE-OE1 3.2Å; R1602-E1606 IonicContact NE-OE2 3.92Å; R1602-E1606 IonicContact NH2-OE1 3.85Å; R1602-E1606 PolarHBondContact NH2-OE1 2.95Å; R1602-E1606 WeakPolarHBondContact O-CB 3.44Å; R1602-E1606 WeakPolarHBondContact O-CG 3.37Å; R1602-E1606 PolarHBondContact O-N 3.18Å |
| 1603 | L | 60.5 | Low | 65.2 | Low | 94 Ų | 94 | 94.1 Ų | 94.1 | 49% | 0.492 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -30.8 | 176 | -74.8 | 172.9 | 0 | 0 | 0 | 112.1 | I1599 L1607 | I1599-L1603 HydrophobicContact CG2-CD1 3.73Å; I1599-L1603 HydrophobicContact CG2-CG 4.24Å; I1599-L1603 WeakPolarHBondContact O-CB 3.23Å; I1599-L1603 WeakPolarHBondContact O-CG 3.41Å; I1599-L1603 PolarHBondContact O-N 2.67Å; L1603-L1607 WeakPolarHBondContact O-CA 3.33Å; L1603-L1607 WeakPolarHBondContact O-CB 3.35Å; L1603-L1607 PolarHBondContact O-N 3.43Å |
| 1604 | K | 70.1 | Confident | 64.6 | Low | 89 Ų | 89 | 92.6 Ų | 92.6 | 39% | 0.387 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.9 | -37.8 | 169.6 | -76 | 162.8 | -170.3 | 154.9 | 0 | 111.5 | L1600 N1601 R1602 L1607 M1608 | L1600-K1604 HydrophobicContact CG-CD 4.29Å; L1600-K1604 VanDerWaalsContact O-CB 3.28Å; L1600-K1604 WeakPolarHBondContact O-CB 3.18Å; L1600-K1604 WeakPolarHBondContact O-CD 3.31Å; L1600-K1604 WeakPolarHBondContact O-CG 3.35Å; L1600-K1604 PolarHBondContact O-N 2.96Å; N1601-K1604 PolarHBondContact O-N 3.22Å; N1601-K1604 WeakPolarHBondContact OD1-CD 3.37Å; N1601-K1604 PolarHBondContact OD1-NZ 2.71Å; R1602-K1604 VanDerWaalsContact C-N 3.31Å; R1602-K1604 PolarHBondContact O-N 3.07Å; K1604-L1607 PolarHBondContact O-N 3.28Å; K1604-M1608 VanDerWaalsContact O-CB 3.23Å; K1604-M1608 WeakPolarHBondContact O-CB 3.03Å; K1604-M1608 WeakPolarHBondContact O-CG 3.41Å; K1604-M1608 PolarHBondContact O-N 3.44Å |
| 1605 | S | 65.2 | Low | 64.6 | Low | 85 Ų | 85 | 87.9 Ų | 87.9 | 59% | 0.594 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -69.2 | -43.9 | 174.9 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | N1601 R1602 M1608 S1609 | N1601-S1605 WeakPolarHBondContact O-CB 3.27Å; N1601-S1605 PolarHBondContact O-N 3.06Å; N1601-S1605 PolarHBondContact O-OG 3.32Å; N1601-S1605 VanDerWaalsContact O-OG 3.12Å; R1602-S1605 CarbonylContact O-C 3.58Å; R1602-S1605 PolarHBondContact O-N 3.47Å; R1602-S1605 VanDerWaalsContact O-N 3.1Å; S1605-M1608 PolarHBondContact O-N 3.12Å; S1605-S1609 VanDerWaalsContact O-CB 3.31Å; S1605-S1609 WeakPolarHBondContact O-CB 3.18Å; S1605-S1609 PolarHBondContact O-N 3.4Å |
| 1606 | E | 63.8 | Low | 64.3 | Low | 75 Ų | 75 | 87.1 Ų | 87.1 | 35% | 0.35 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 172.6 | -71.1 | 172.6 | 170.8 | 0 | 0 | 110.8 | R1602 C1610 | R1602-E1606 HydrophobicContact CG-CG 4.3Å; R1602-E1606 IonicContact CZ-OE1 3.49Å; R1602-E1606 VanDerWaalsContact CZ-OE1 3.29Å; R1602-E1606 IonicContact NE-OE1 2.86Å; R1602-E1606 PolarHBondContact NE-OE1 3.2Å; R1602-E1606 IonicContact NE-OE2 3.92Å; R1602-E1606 IonicContact NH2-OE1 3.85Å; R1602-E1606 PolarHBondContact NH2-OE1 2.95Å; R1602-E1606 WeakPolarHBondContact O-CB 3.44Å; R1602-E1606 WeakPolarHBondContact O-CG 3.37Å; R1602-E1606 PolarHBondContact O-N 3.18Å; E1606-C1610 WeakPolarHBondContact O-CA 3.13Å; E1606-C1610 WeakPolarHBondContact O-CB 3.41Å; E1606-C1610 PolarHBondContact O-N 2.63Å; E1606-C1610 PolarHBondContact O-SG 2.62Å |
| 1607 | L | 59.8 | Low | 64.1 | Low | 108 Ų | 108 | 82.7 Ų | 82.7 | 57% | 0.565 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -74.1 | -38.7 | 174.8 | -179.6 | 65.6 | 0 | 0 | 0 | 112.6 | L1603 K1604 C1610 Q1611 | L1603-L1607 WeakPolarHBondContact O-CA 3.33Å; L1603-L1607 WeakPolarHBondContact O-CB 3.35Å; L1603-L1607 PolarHBondContact O-N 3.43Å; K1604-L1607 PolarHBondContact O-N 3.28Å; L1607-C1610 CarbonylContact O-C 3.16Å; L1607-C1610 PolarHBondContact O-N 2.74Å; L1607-Q1611 WeakPolarHBondContact O-CA 3.21Å; L1607-Q1611 WeakPolarHBondContact O-CB 3.36Å; L1607-Q1611 PolarHBondContact O-N 2.74Å |
| 1608 | M | 63.6 | Low | 63 | Low | 119 Ų | 119 | 81.6 Ų | 81.6 | 59% | 0.586 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -70.5 | -36.9 | 175.2 | -73.4 | -62 | -56 | 0 | 0 | 111 | K1604 S1605 E1612 | K1604-M1608 VanDerWaalsContact O-CB 3.23Å; K1604-M1608 WeakPolarHBondContact O-CB 3.03Å; K1604-M1608 WeakPolarHBondContact O-CG 3.41Å; K1604-M1608 PolarHBondContact O-N 3.44Å; S1605-M1608 PolarHBondContact O-N 3.12Å; M1608-E1612 WeakPolarHBondContact O-CB 3.23Å; M1608-E1612 PolarHBondContact O-N 2.73Å |
| 1609 | S | 66.8 | Low | 62.4 | Low | 62 Ų | 62 | 81.7 Ų | 81.7 | 43% | 0.434 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61 | -60.2 | 166.7 | -167.2 | 0 | 0 | 0 | 0 | 109.3 | S1605 Q1611 E1612 D1613 | S1605-S1609 VanDerWaalsContact O-CB 3.31Å; S1605-S1609 WeakPolarHBondContact O-CB 3.18Å; S1605-S1609 PolarHBondContact O-N 3.4Å; S1609-Q1611 PolarHBondContact O-N 3.5Å; S1609-E1612 CarbonylContact O-C 3.53Å; S1609-E1612 WeakPolarHBondContact O-CA 3.11Å; S1609-E1612 PolarHBondContact O-N 2.91Å; S1609-D1613 WeakPolarHBondContact O-CB 3.25Å; S1609-D1613 VanDerWaalsContact O-CG 3.25Å; S1609-D1613 PolarHBondContact O-N 3.27Å; S1609-D1613 PolarHBondContact OG-OD2 3.49Å |
| 1610 | C | 52.5 | Low | 61.4 | Low | 77 Ų | 77 | 81 Ų | 81 | 52% | 0.52 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.2 | -26.5 | -178.6 | -72 | 0 | 0 | 0 | 0 | 113.4 | E1606 L1607 L1614 | E1606-C1610 WeakPolarHBondContact O-CA 3.13Å; E1606-C1610 WeakPolarHBondContact O-CB 3.41Å; E1606-C1610 PolarHBondContact O-N 2.63Å; E1606-C1610 PolarHBondContact O-SG 2.62Å; L1607-C1610 CarbonylContact O-C 3.16Å; L1607-C1610 PolarHBondContact O-N 2.74Å; C1610-L1614 WeakPolarHBondContact O-CA 3.5Å; C1610-L1614 WeakPolarHBondContact O-CB 3.15Å; C1610-L1614 PolarHBondContact O-N 2.65Å |
| 1611 | Q | 58.3 | Low | 60.7 | Low | 56 Ų | 56 | 81.7 Ų | 81.7 | 26% | 0.262 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -79.3 | -34 | 175 | -172.8 | 170.8 | 9.4 | 0 | 0 | 111.1 | L1607 S1609 L1614 K1615 D1827 | L1607-Q1611 WeakPolarHBondContact O-CA 3.21Å; L1607-Q1611 WeakPolarHBondContact O-CB 3.36Å; L1607-Q1611 PolarHBondContact O-N 2.74Å; S1609-Q1611 PolarHBondContact O-N 3.5Å; Q1611-L1614 CarbonylContact O-C 3.15Å; Q1611-L1614 PolarHBondContact O-N 3.12Å; Q1611-K1615 HydrophobicContact CG-CD 4.07Å; Q1611-K1615 WeakPolarHBondContact O-CB 3.4Å; Q1611-K1615 WeakPolarHBondContact O-CD 3.19Å; Q1611-K1615 WeakPolarHBondContact O-CG 3.19Å; Q1611-K1615 PolarHBondContact O-N 2.61Å; Q1611-D1827 PolarHBondContact NE2-OD1 3.27Å |
| 1612 | E | 62.9 | Low | 59.9 | Low | 89 Ų | 89 | 82.4 Ų | 82.4 | 42% | 0.416 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -73.4 | -43.8 | 170.5 | -157.7 | 61.7 | -154.3 | 0 | 0 | 111.4 | M1608 S1609 L1614 K1615 I1616 | M1608-E1612 WeakPolarHBondContact O-CB 3.23Å; M1608-E1612 PolarHBondContact O-N 2.73Å; S1609-E1612 CarbonylContact O-C 3.53Å; S1609-E1612 WeakPolarHBondContact O-CA 3.11Å; S1609-E1612 PolarHBondContact O-N 2.91Å; E1612-L1614 PolarHBondContact O-N 3.07Å; E1612-K1615 CarbonylContact O-C 3.42Å; E1612-K1615 WeakPolarHBondContact O-CA 3.21Å; E1612-K1615 WeakPolarHBondContact O-CB 3.22Å; E1612-K1615 PolarHBondContact O-N 2.94Å; E1612-K1615 IonicContact OE1-NZ 3.82Å; E1612-K1615 PolarHBondContact OE1-NZ 2.87Å; E1612-K1615 WeakPolarHBondContact OE2-CE 3.25Å; E1612-K1615 IonicContact OE2-NZ 2.93Å; E1612-K1615 PolarHBondContact OE2-NZ 2.57Å; E1612-I1616 HydrophobicContact CG-CD1 4.41Å; E1612-I1616 WeakPolarHBondContact O-CB 3.32Å; E1612-I1616 VanDerWaalsContact O-CG1 3.28Å; E1612-I1616 WeakPolarHBondContact O-CG1 3.45Å; E1612-I1616 PolarHBondContact O-N 2.83Å |
| 1613 | D | 57.9 | Low | 59.5 | Low | 84 Ų | 84 | 79.7 Ų | 79.7 | 45% | 0.449 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.4 | -35.1 | 169.3 | -63.2 | -51 | 0 | 0 | 0 | 111 | S1609 A1617 | S1609-D1613 WeakPolarHBondContact O-CB 3.25Å; S1609-D1613 VanDerWaalsContact O-CG 3.25Å; S1609-D1613 PolarHBondContact O-N 3.27Å; S1609-D1613 PolarHBondContact OG-OD2 3.49Å; D1613-A1617 WeakPolarHBondContact O-CA 3.46Å; D1613-A1617 WeakPolarHBondContact O-CB 3.39Å; D1613-A1617 PolarHBondContact O-N 3.1Å |
| 1614 | L | 53.8 | Low | 58.9 | Low | 81 Ų | 81 | 79 Ų | 79 | 42% | 0.424 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -77.7 | -27.6 | 171.7 | -176.7 | 68.6 | 0 | 0 | 0 | 112.4 | C1610 Q1611 E1612 K1618 | C1610-L1614 WeakPolarHBondContact O-CA 3.5Å; C1610-L1614 WeakPolarHBondContact O-CB 3.15Å; C1610-L1614 PolarHBondContact O-N 2.65Å; Q1611-L1614 CarbonylContact O-C 3.15Å; Q1611-L1614 PolarHBondContact O-N 3.12Å; E1612-L1614 PolarHBondContact O-N 3.07Å; L1614-K1618 HydrophobicContact CD1-CD 4.29Å; L1614-K1618 HydrophobicContact CD1-CG 4.15Å; L1614-K1618 HydrophobicContact CG-CD 3.94Å; L1614-K1618 HydrophobicContact CG-CG 4.25Å; L1614-K1618 WeakPolarHBondContact O-CB 3.17Å; L1614-K1618 WeakPolarHBondContact O-CD 3.44Å; L1614-K1618 WeakPolarHBondContact O-CG 3.07Å; L1614-K1618 PolarHBondContact O-N 3.43Å |
| 1615 | K | 64.7 | Low | 57.9 | Low | 28 Ų | 28 | 77 Ų | 77 | 12% | 0.122 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -71.2 | -45.6 | 173.3 | -80.4 | 149.3 | 82.3 | -71.6 | 0 | 109.8 | Q1611 E1612 K1618 Q1619 K1831 E1834 | Q1611-K1615 HydrophobicContact CG-CD 4.07Å; Q1611-K1615 WeakPolarHBondContact O-CB 3.4Å; Q1611-K1615 WeakPolarHBondContact O-CD 3.19Å; Q1611-K1615 WeakPolarHBondContact O-CG 3.19Å; Q1611-K1615 PolarHBondContact O-N 2.61Å; E1612-K1615 CarbonylContact O-C 3.42Å; E1612-K1615 WeakPolarHBondContact O-CA 3.21Å; E1612-K1615 WeakPolarHBondContact O-CB 3.22Å; E1612-K1615 PolarHBondContact O-N 2.94Å; E1612-K1615 IonicContact OE1-NZ 3.82Å; E1612-K1615 PolarHBondContact OE1-NZ 2.87Å; E1612-K1615 WeakPolarHBondContact OE2-CE 3.25Å; E1612-K1615 IonicContact OE2-NZ 2.93Å; E1612-K1615 PolarHBondContact OE2-NZ 2.57Å; K1615-K1618 PolarHBondContact O-N 3.34Å; K1615-Q1619 WeakPolarHBondContact O-CB 2.93Å; K1615-Q1619 VanDerWaalsContact O-CG 3.25Å; K1615-Q1619 WeakPolarHBondContact O-CG 3.27Å; K1615-Q1619 PolarHBondContact O-N 3.14Å; K1615-K1831 PolarHBondContact O-NZ 3.36Å; K1615-E1834 WeakPolarHBondContact CE-OE1 3.38Å; K1615-E1834 IonicContact NZ-OE1 2.73Å; K1615-E1834 PolarHBondContact NZ-OE1 2.95Å |
| 1616 | I | 66.5 | Low | 56.9 | Low | 95 Ų | 95 | 76.4 Ų | 76.4 | 49% | 0.487 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.9 | -54 | 169.1 | -66 | 164.6 | 0 | 0 | 0 | 109.4 | E1612 K1618 Q1619 E1620 | E1612-I1616 HydrophobicContact CG-CD1 4.41Å; E1612-I1616 WeakPolarHBondContact O-CB 3.32Å; E1612-I1616 VanDerWaalsContact O-CG1 3.28Å; E1612-I1616 WeakPolarHBondContact O-CG1 3.45Å; E1612-I1616 PolarHBondContact O-N 2.83Å; I1616-K1618 VanDerWaalsContact C-N 3.35Å; I1616-K1618 PolarHBondContact O-N 2.9Å; I1616-Q1619 PolarHBondContact O-N 2.94Å; I1616-E1620 WeakPolarHBondContact O-CB 3.02Å; I1616-E1620 PolarHBondContact O-N 2.76Å |
| 1617 | A | 52.8 | Low | 56.4 | Low | 44 Ų | 44 | 76.8 Ų | 76.8 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66 | -30.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1613 V1621 | D1613-A1617 WeakPolarHBondContact O-CA 3.46Å; D1613-A1617 WeakPolarHBondContact O-CB 3.39Å; D1613-A1617 PolarHBondContact O-N 3.1Å; A1617-V1621 WeakPolarHBondContact O-CB 3.15Å; A1617-V1621 WeakPolarHBondContact O-CG2 3.03Å; A1617-V1621 PolarHBondContact O-N 3.3Å |
| 1618 | K | 51.8 | Low | 56.3 | Low | 59 Ų | 59 | 75.2 Ų | 75.2 | 26% | 0.257 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -71.8 | -42.9 | 171.7 | -77.6 | 167.8 | 176.9 | 162.9 | 0 | 111.5 | L1614 K1615 I1616 V1621 T1622 D1827 K1831 | L1614-K1618 HydrophobicContact CD1-CD 4.29Å; L1614-K1618 HydrophobicContact CD1-CG 4.15Å; L1614-K1618 HydrophobicContact CG-CD 3.94Å; L1614-K1618 HydrophobicContact CG-CG 4.25Å; L1614-K1618 WeakPolarHBondContact O-CB 3.17Å; L1614-K1618 WeakPolarHBondContact O-CD 3.44Å; L1614-K1618 WeakPolarHBondContact O-CG 3.07Å; L1614-K1618 PolarHBondContact O-N 3.43Å; K1615-K1618 PolarHBondContact O-N 3.34Å; I1616-K1618 VanDerWaalsContact C-N 3.35Å; I1616-K1618 PolarHBondContact O-N 2.9Å; K1618-V1621 PolarHBondContact O-N 2.92Å; K1618-T1622 PolarHBondContact O-N 3.41Å; K1618-T1622 PolarHBondContact O-OG1 3.46Å; K1618-D1827 IonicContact NZ-OD2 3.48Å; K1618-D1827 PolarHBondContact NZ-OD2 3.05Å; K1618-K1831 HydrophobicContact CD-CD 4.1Å; K1618-K1831 VanDerWaalsContact CD-CE 3.41Å |
| 1619 | Q | 56.4 | Low | 55.1 | Low | 73 Ų | 73 | 73.8 Ų | 73.8 | 34% | 0.341 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 174.5 | -74.4 | 171.5 | 17.9 | 0 | 0 | 110.5 | K1615 I1616 T1622 R1623 E1834 I1838 | K1615-Q1619 WeakPolarHBondContact O-CB 2.93Å; K1615-Q1619 VanDerWaalsContact O-CG 3.25Å; K1615-Q1619 WeakPolarHBondContact O-CG 3.27Å; K1615-Q1619 PolarHBondContact O-N 3.14Å; I1616-Q1619 PolarHBondContact O-N 2.94Å; Q1619-T1622 WeakPolarHBondContact CA-OG1 3.27Å; Q1619-T1622 CarbonylContact O-C 3.54Å; Q1619-T1622 PolarHBondContact O-N 2.82Å; Q1619-T1622 VanDerWaalsContact O-N 3.15Å; Q1619-T1622 PolarHBondContact O-OG1 2.69Å; Q1619-R1623 WeakPolarHBondContact O-CB 3.23Å; Q1619-R1623 PolarHBondContact O-N 2.94Å; Q1619-E1834 PolarHBondContact NE2-OE1 3.13Å; Q1619-E1834 PolarHBondContact NE2-OE2 3.48Å; Q1619-I1838 HydrophobicContact CG-CD1 4.04Å |
| 1620 | E | 55 | Low | 54.3 | Low | 68 Ų | 68 | 74 Ų | 74 | 32% | 0.318 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 173.8 | -178.9 | 62.8 | -176.1 | 0 | 0 | 111.3 | I1616 T1622 R1623 L1624 | I1616-E1620 WeakPolarHBondContact O-CB 3.02Å; I1616-E1620 PolarHBondContact O-N 2.76Å; E1620-T1622 VanDerWaalsContact C-N 3.3Å; E1620-T1622 PolarHBondContact O-N 2.6Å; E1620-R1623 PolarHBondContact O-N 3.42Å; E1620-R1623 IonicContact OE1-CZ 2.71Å; E1620-R1623 IonicContact OE1-NE 2.74Å; E1620-R1623 IonicContact OE1-NH2 2.69Å; E1620-R1623 PolarHBondContact OE1-NH2 2.65Å; E1620-R1623 IonicContact OE2-CZ 2.6Å; E1620-R1623 VanDerWaalsContact OE2-CZ 3.25Å; E1620-R1623 IonicContact OE2-NE 2.73Å; E1620-R1623 PolarHBondContact OE2-NE 2.97Å; E1620-R1623 IonicContact OE2-NH2 2.72Å; E1620-R1623 PolarHBondContact OE2-NH2 3.17Å; E1620-L1624 HydrophobicContact CG-CD1 3.77Å; E1620-L1624 HydrophobicContact CG-CG 4.07Å; E1620-L1624 WeakPolarHBondContact O-CA 3.41Å; E1620-L1624 WeakPolarHBondContact O-CB 3.44Å; E1620-L1624 WeakPolarHBondContact O-CG 3.48Å; E1620-L1624 PolarHBondContact O-N 2.81Å; E1620-L1624 WeakPolarHBondContact OE1-CG 3.46Å |
| 1621 | V | 47.5 | Very low | 54.2 | Low | 97 Ų | 97 | 71.6 Ų | 71.6 | 59% | 0.588 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.9 | -34.3 | 173.1 | 162.4 | 0 | 0 | 0 | 0 | 111.6 | A1617 K1618 S1625 | A1617-V1621 WeakPolarHBondContact O-CB 3.15Å; A1617-V1621 WeakPolarHBondContact O-CG2 3.03Å; A1617-V1621 PolarHBondContact O-N 3.3Å; K1618-V1621 PolarHBondContact O-N 2.92Å; V1621-S1625 WeakPolarHBondContact O-CB 3.13Å; V1621-S1625 PolarHBondContact O-N 3.29Å |
| 1622 | T | 53.2 | Low | 53.5 | Low | 88 Ų | 88 | 69.2 Ų | 69.2 | 54% | 0.54 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -73.8 | -37.3 | 171.6 | 49.5 | 0 | 0 | 0 | 0 | 113.5 | K1618 Q1619 E1620 S1625 C1626 | K1618-T1622 PolarHBondContact O-N 3.41Å; K1618-T1622 PolarHBondContact O-OG1 3.46Å; Q1619-T1622 WeakPolarHBondContact CA-OG1 3.27Å; Q1619-T1622 CarbonylContact O-C 3.54Å; Q1619-T1622 PolarHBondContact O-N 2.82Å; Q1619-T1622 VanDerWaalsContact O-N 3.15Å; Q1619-T1622 PolarHBondContact O-OG1 2.69Å; E1620-T1622 VanDerWaalsContact C-N 3.3Å; E1620-T1622 PolarHBondContact O-N 2.6Å; T1622-S1625 WeakPolarHBondContact O-CB 3.16Å; T1622-S1625 PolarHBondContact O-N 3.05Å; T1622-S1625 VanDerWaalsContact O-N 3.16Å; T1622-C1626 PolarHBondContact O-N 3.45Å; T1622-C1626 PolarHBondContact O-SG 2.59Å |
| 1623 | R | 66.4 | Low | 52.9 | Low | 103 Ų | 103 | 69.9 Ų | 69.9 | 39% | 0.389 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.7 | -51.7 | 175.9 | -168.9 | -173.4 | 72.5 | 75.2 | 13.4 | 110 | Q1619 E1620 S1625 C1626 E1627 | Q1619-R1623 WeakPolarHBondContact O-CB 3.23Å; Q1619-R1623 PolarHBondContact O-N 2.94Å; E1620-R1623 PolarHBondContact O-N 3.42Å; E1620-R1623 IonicContact OE1-CZ 2.71Å; E1620-R1623 IonicContact OE1-NE 2.74Å; E1620-R1623 IonicContact OE1-NH2 2.69Å; E1620-R1623 PolarHBondContact OE1-NH2 2.65Å; E1620-R1623 IonicContact OE2-CZ 2.6Å; E1620-R1623 VanDerWaalsContact OE2-CZ 3.25Å; E1620-R1623 IonicContact OE2-NE 2.73Å; E1620-R1623 PolarHBondContact OE2-NE 2.97Å; E1620-R1623 IonicContact OE2-NH2 2.72Å; E1620-R1623 PolarHBondContact OE2-NH2 3.17Å; R1623-S1625 PolarHBondContact O-N 3.44Å; R1623-C1626 PolarHBondContact O-N 3.46Å; R1623-C1626 VanDerWaalsContact O-N 3.14Å; R1623-E1627 IonicContact CZ-OE1 2.66Å; R1623-E1627 IonicContact CZ-OE2 2.63Å; R1623-E1627 IonicContact NH1-OE1 3.61Å; R1623-E1627 PolarHBondContact NH1-OE1 2.88Å; R1623-E1627 IonicContact NH1-OE2 3.49Å; R1623-E1627 PolarHBondContact NH1-OE2 3.42Å; R1623-E1627 IonicContact NH2-OE2 2.69Å; R1623-E1627 WeakPolarHBondContact O-CB 3.26Å; R1623-E1627 WeakPolarHBondContact O-CG 3.41Å; R1623-E1627 PolarHBondContact O-N 3.17Å |
| 1624 | L | 47.5 | Very low | 52.9 | Low | 78 Ų | 78 | 67.4 Ų | 67.4 | 41% | 0.408 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60 | -25.5 | 169 | -67.7 | 177.3 | 0 | 0 | 0 | 112.4 | E1620 K1628 | E1620-L1624 HydrophobicContact CG-CD1 3.77Å; E1620-L1624 HydrophobicContact CG-CG 4.07Å; E1620-L1624 WeakPolarHBondContact O-CA 3.41Å; E1620-L1624 WeakPolarHBondContact O-CB 3.44Å; E1620-L1624 WeakPolarHBondContact O-CG 3.48Å; E1620-L1624 PolarHBondContact O-N 2.81Å; E1620-L1624 WeakPolarHBondContact OE1-CG 3.46Å; L1624-K1628 WeakPolarHBondContact O-CA 3.24Å; L1624-K1628 WeakPolarHBondContact O-CB 3.16Å; L1624-K1628 PolarHBondContact O-N 2.67Å |
| 1625 | S | 49.4 | Very low | 52.8 | Low | 47 Ų | 47 | 66.5 Ų | 66.5 | 33% | 0.329 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -71.6 | -42.3 | 172 | -167.7 | 0 | 0 | 0 | 0 | 111.5 | V1621 T1622 R1623 K1628 E1629 | V1621-S1625 WeakPolarHBondContact O-CB 3.13Å; V1621-S1625 PolarHBondContact O-N 3.29Å; T1622-S1625 WeakPolarHBondContact O-CB 3.16Å; T1622-S1625 PolarHBondContact O-N 3.05Å; T1622-S1625 VanDerWaalsContact O-N 3.16Å; R1623-S1625 PolarHBondContact O-N 3.44Å; S1625-K1628 CarbonylContact O-C 3.16Å; S1625-K1628 PolarHBondContact O-N 3.39Å; S1625-E1629 PolarHBondContact O-N 2.78Å |
| 1626 | C | 45.2 | Very low | 51.9 | Low | 74 Ų | 74 | 65.6 Ų | 65.6 | 50% | 0.5 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -72 | -40.3 | 176.2 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | T1622 R1623 K1628 E1629 T1630 | T1622-C1626 PolarHBondContact O-N 3.45Å; T1622-C1626 PolarHBondContact O-SG 2.59Å; R1623-C1626 PolarHBondContact O-N 3.46Å; R1623-C1626 VanDerWaalsContact O-N 3.14Å; C1626-K1628 VanDerWaalsContact C-N 3.27Å; C1626-E1629 PolarHBondContact O-N 2.96Å; C1626-T1630 PolarHBondContact O-N 3.1Å; C1626-T1630 PolarHBondContact O-OG1 3.06Å |
| 1627 | E | 51.6 | Low | 51 | Low | 82 Ų | 82 | 61.7 Ų | 61.7 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.4 | -30.8 | 170.1 | -72.4 | -173.1 | 166.1 | 0 | 0 | 111.2 | R1623 T1630 A1631 | R1623-E1627 IonicContact CZ-OE1 2.66Å; R1623-E1627 IonicContact CZ-OE2 2.63Å; R1623-E1627 IonicContact NH1-OE1 3.61Å; R1623-E1627 PolarHBondContact NH1-OE1 2.88Å; R1623-E1627 IonicContact NH1-OE2 3.49Å; R1623-E1627 PolarHBondContact NH1-OE2 3.42Å; R1623-E1627 IonicContact NH2-OE2 2.69Å; R1623-E1627 WeakPolarHBondContact O-CB 3.26Å; R1623-E1627 WeakPolarHBondContact O-CG 3.41Å; R1623-E1627 PolarHBondContact O-N 3.17Å; E1627-T1630 WeakPolarHBondContact CA-OG1 3.43Å; E1627-T1630 PolarHBondContact O-OG1 2.97Å; E1627-A1631 VanDerWaalsContact O-CA 3.3Å; E1627-A1631 WeakPolarHBondContact O-CA 3.38Å; E1627-A1631 WeakPolarHBondContact O-CB 3.36Å; E1627-A1631 PolarHBondContact O-N 2.68Å |
| 1628 | K | 57.7 | Low | 50.8 | Low | 75 Ų | 75 | 59.9 Ų | 59.9 | 33% | 0.326 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -74.1 | -36.7 | 172.3 | 173.7 | 166.2 | 179.3 | 173.1 | 0 | 112.7 | L1385 L1624 S1625 C1626 A1631 Q1632 | L1385-K1628 HydrophobicContact CD2-CD 4.01Å; L1624-K1628 WeakPolarHBondContact O-CA 3.24Å; L1624-K1628 WeakPolarHBondContact O-CB 3.16Å; L1624-K1628 PolarHBondContact O-N 2.67Å; S1625-K1628 CarbonylContact O-C 3.16Å; S1625-K1628 PolarHBondContact O-N 3.39Å; C1626-K1628 VanDerWaalsContact C-N 3.27Å; K1628-A1631 CarbonylContact O-C 3.59Å; K1628-Q1632 HydrophobicContact CG-CG 4.23Å; K1628-Q1632 WeakPolarHBondContact O-CA 3.33Å; K1628-Q1632 WeakPolarHBondContact O-CB 3.31Å; K1628-Q1632 WeakPolarHBondContact O-CG 3.45Å; K1628-Q1632 PolarHBondContact O-N 3.11Å; K1628-Q1632 PolarHBondContact O-OE1 2.71Å |
| 1629 | E | 38.2 | Very low | 50.5 | Low | 90 Ų | 90 | 60.7 Ų | 60.7 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 172.2 | -76.9 | -165.9 | 136.9 | 0 | 0 | 111.6 | L1392 S1625 C1626 Q1632 K1633 | L1392-E1629 HydrophobicContact CD1-CB 4.31Å; L1392-E1629 HydrophobicContact CD1-CG 4.25Å; S1625-E1629 PolarHBondContact O-N 2.78Å; C1626-E1629 PolarHBondContact O-N 2.96Å; E1629-Q1632 CarbonylContact O-C 3.3Å; E1629-Q1632 VanDerWaalsContact O-CA 3.31Å; E1629-Q1632 WeakPolarHBondContact O-CA 3.23Å; E1629-Q1632 PolarHBondContact O-N 3.13Å; E1629-K1633 PolarHBondContact O-N 3.35Å |
| 1630 | T | 50.3 | Low | 50.2 | Low | 66 Ų | 66 | 57.8 Ų | 57.8 | 41% | 0.405 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.5 | -45.3 | 178.4 | 50.2 | 0 | 0 | 0 | 0 | 111.2 | C1626 E1627 Q1632 K1633 S1634 | C1626-T1630 PolarHBondContact O-N 3.1Å; C1626-T1630 PolarHBondContact O-OG1 3.06Å; E1627-T1630 WeakPolarHBondContact CA-OG1 3.43Å; E1627-T1630 PolarHBondContact O-OG1 2.97Å; T1630-Q1632 PolarHBondContact O-N 3.13Å; T1630-Q1632 VanDerWaalsContact O-N 3.11Å; T1630-K1633 PolarHBondContact O-N 3.3Å; T1630-S1634 WeakPolarHBondContact O-CA 3.11Å; T1630-S1634 WeakPolarHBondContact O-CB 3.25Å; T1630-S1634 PolarHBondContact O-N 3.27Å |
| 1631 | A | 51.2 | Low | 50.5 | Low | 27 Ų | 27 | 54.6 Ų | 54.6 | 22% | 0.223 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 33.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1627 K1628 K1635 | E1627-A1631 VanDerWaalsContact O-CA 3.3Å; E1627-A1631 WeakPolarHBondContact O-CA 3.38Å; E1627-A1631 WeakPolarHBondContact O-CB 3.36Å; E1627-A1631 PolarHBondContact O-N 2.68Å; K1628-A1631 CarbonylContact O-C 3.59Å; A1631-K1635 WeakPolarHBondContact O-CB 3.43Å; A1631-K1635 VanDerWaalsContact O-CD 3.3Å; A1631-K1635 WeakPolarHBondContact O-CD 3.25Å; A1631-K1635 WeakPolarHBondContact O-CG 3.16Å; A1631-K1635 PolarHBondContact O-N 2.88Å |
| 1632 | Q | 42.9 | Very low | 50.9 | Low | 5 Ų | 5 | 51.4 Ų | 51.4 | 2% | 0.023 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | 8.9 | 154.9 | -82.4 | 172.5 | -51.2 | 0 | 0 | 112.2 | Q1388 L1392 K1628 E1629 T1630 K1635 H1636 | Q1388-Q1632 PolarHBondContact O-NE2 2.97Å; Q1388-Q1632 PolarHBondContact O-OE1 2.75Å; L1392-Q1632 HydrophobicContact CB-CB 4.08Å; L1392-Q1632 HydrophobicContact CD1-CB 3.31Å; L1392-Q1632 HydrophobicContact CD1-CG 4.32Å; L1392-Q1632 HydrophobicContact CG-CB 4.29Å; K1628-Q1632 HydrophobicContact CG-CG 4.23Å; K1628-Q1632 WeakPolarHBondContact O-CA 3.33Å; K1628-Q1632 WeakPolarHBondContact O-CB 3.31Å; K1628-Q1632 WeakPolarHBondContact O-CG 3.45Å; K1628-Q1632 PolarHBondContact O-N 3.11Å; K1628-Q1632 PolarHBondContact O-OE1 2.71Å; E1629-Q1632 CarbonylContact O-C 3.3Å; E1629-Q1632 VanDerWaalsContact O-CA 3.31Å; E1629-Q1632 WeakPolarHBondContact O-CA 3.23Å; E1629-Q1632 PolarHBondContact O-N 3.13Å; T1630-Q1632 PolarHBondContact O-N 3.13Å; T1630-Q1632 VanDerWaalsContact O-N 3.11Å; Q1632-K1635 CarbonylContact C-O 3.58Å; Q1632-K1635 VanDerWaalsContact CA-CA 3.46Å; Q1632-K1635 VanDerWaalsContact CA-N 3.31Å; Q1632-K1635 WeakPolarHBondContact CA-O 3.17Å; Q1632-K1635 HydrophobicContact CG-CB 4.39Å; Q1632-K1635 VanDerWaalsContact N-N 3.18Å; Q1632-K1635 CarbonylContact O-C 2.88Å; Q1632-H1636 PolarHBondContact O-N 2.79Å |
| 1633 | K | 50.2 | Low | 50.9 | Low | 104 Ų | 104 | 49.8 Ų | 49.8 | 45% | 0.452 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -51.8 | 151.7 | -67.7 | 179.8 | 176.6 | 168.4 | 0 | 110.3 | K1396 E1629 T1630 K1635 H1636 | K1396-K1633 HydrophobicContact CD-CB 4.48Å; K1396-K1633 HydrophobicContact CD-CG 4.19Å; E1629-K1633 PolarHBondContact O-N 3.35Å; T1630-K1633 PolarHBondContact O-N 3.3Å; K1633-K1635 VanDerWaalsContact N-N 3.14Å; K1633-K1635 CarbonylContact O-C 3.08Å; K1633-K1635 WeakPolarHBondContact O-CA 3.39Å; K1633-K1635 PolarHBondContact O-N 2.69Å; K1633-H1636 PolarHBondContact O-N 3.39Å |
| 1634 | S | 57.9 | Low | 50.7 | Low | 31 Ų | 31 | 47.8 Ų | 47.8 | 22% | 0.217 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -8 | 147.5 | 173.4 | 0 | 0 | 0 | 0 | 112.1 | T1630 K1863 K2082 S2085 | T1630-S1634 WeakPolarHBondContact O-CA 3.11Å; T1630-S1634 WeakPolarHBondContact O-CB 3.25Å; T1630-S1634 PolarHBondContact O-N 3.27Å; S1634-K1863 PolarHBondContact OG-NZ 3.01Å; S1634-K2082 WeakPolarHBondContact O-CB 3.23Å; S1634-S2085 WeakPolarHBondContact O-CB 3.02Å; S1634-S2085 PolarHBondContact O-OG 2.67Å; S1634-S2085 VanDerWaalsContact O-OG 3.12Å; S1634-S2085 PolarHBondContact OG-OG 2.78Å |
| 1635 | K | 51.8 | Low | 51.3 | Low | 62 Ų | 62 | 47.3 Ų | 47.3 | 27% | 0.27 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | 75.6 | 139.2 | -52.9 | 174.7 | 173.4 | 149 | 0 | 120.1 | A1631 Q1632 K1633 K2082 D2089 | A1631-K1635 WeakPolarHBondContact O-CB 3.43Å; A1631-K1635 VanDerWaalsContact O-CD 3.3Å; A1631-K1635 WeakPolarHBondContact O-CD 3.25Å; A1631-K1635 WeakPolarHBondContact O-CG 3.16Å; A1631-K1635 PolarHBondContact O-N 2.88Å; Q1632-K1635 CarbonylContact C-O 3.58Å; Q1632-K1635 VanDerWaalsContact CA-CA 3.46Å; Q1632-K1635 VanDerWaalsContact CA-N 3.31Å; Q1632-K1635 WeakPolarHBondContact CA-O 3.17Å; Q1632-K1635 HydrophobicContact CG-CB 4.39Å; Q1632-K1635 VanDerWaalsContact N-N 3.18Å; Q1632-K1635 CarbonylContact O-C 2.88Å; K1633-K1635 VanDerWaalsContact N-N 3.14Å; K1633-K1635 CarbonylContact O-C 3.08Å; K1633-K1635 WeakPolarHBondContact O-CA 3.39Å; K1633-K1635 PolarHBondContact O-N 2.69Å; K1635-K2082 HydrophobicContact CB-CB 4.48Å; K1635-K2082 HydrophobicContact CB-CD 3.88Å; K1635-K2082 HydrophobicContact CB-CG 3.63Å; K1635-K2082 HydrophobicContact CG-CD 4.44Å; K1635-K2082 HydrophobicContact CG-CG 3.9Å; K1635-K2082 WeakPolarHBondContact O-CE 3.19Å; K1635-D2089 VanDerWaalsContact CE-CG 3.48Å; K1635-D2089 WeakPolarHBondContact CE-OD2 3.36Å; K1635-D2089 IonicContact NZ-OD2 3.72Å; K1635-D2089 PolarHBondContact NZ-OD2 2.93Å |
| 1636 | H | 46.9 | Very low | 51.3 | Low | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.046 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -22.7 | 151.5 | 163.3 | 53.4 | 0 | 0 | 0 | 112.9 | E1393 K1396 Q1632 K1633 D2078 K2082 | E1393-H1636 WeakPolarHBondContact CA-ND1 3.36Å; E1393-H1636 WeakPolarHBondContact CG-ND1 3.27Å; K1396-H1636 HydrophobicContact CB-CB 4.28Å; K1396-H1636 HydrophobicContact CD-CB 3.74Å; Q1632-H1636 PolarHBondContact O-N 2.79Å; K1633-H1636 PolarHBondContact O-N 3.39Å; H1636-D2078 WeakPolarHBondContact CD2-CB 3.43Å; H1636-D2078 IonicContact CD2-OD2 3.29Å; H1636-D2078 PolarHBondContact CD2-OD2 2.91Å; H1636-D2078 VanDerWaalsContact CD2-OD2 3.23Å; H1636-D2078 WeakPolarHBondContact NE2-CB 3.05Å; H1636-D2078 IonicContact NE2-OD2 2.81Å; H1636-K2082 WeakPolarHBondContact O-CE 3.44Å; H1636-K2082 PolarHBondContact O-NZ 3.03Å |
| 1637 | E | 48.1 | Very low | 51.7 | Low | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.056 | 26% | 0.255 | C | S | . | . | S | Bend | -135.9 | 11.1 | -126.3 | 178.5 | 179.3 | 161.4 | 0 | 0 | 111.8 | K1396 T1640 D2078 S2081 K2082 Q2083 | K1396-E1637 VanDerWaalsContact CD-OE2 3.25Å; K1396-E1637 WeakPolarHBondContact CD-OE2 3.41Å; K1396-E1637 WeakPolarHBondContact CE-OE2 3.12Å; K1396-E1637 IonicContact NZ-OE1 2.61Å; K1396-E1637 PolarHBondContact NZ-OE1 2.87Å; K1396-E1637 IonicContact NZ-OE2 2.79Å; K1396-E1637 PolarHBondContact NZ-OE2 2.7Å; E1637-T1640 WeakPolarHBondContact CA-OG1 3.39Å; E1637-T1640 PolarHBondContact O-OG1 3.31Å; E1637-D2078 CarbonylContact C-O 3.32Å; E1637-D2078 WeakPolarHBondContact CA-O 3.14Å; E1637-D2078 HydrophobicContact CB-CB 3.92Å; E1637-D2078 WeakPolarHBondContact CB-O 3.11Å; E1637-D2078 HydrophobicContact CG-CB 3.48Å; E1637-D2078 VanDerWaalsContact CG-CB 3.48Å; E1637-D2078 VanDerWaalsContact CG-O 3.3Å; E1637-D2078 WeakPolarHBondContact CG-O 3.1Å; E1637-D2078 WeakPolarHBondContact CG-OD1 3.25Å; E1637-S2081 VanDerWaalsContact CG-C 3.49Å; E1637-S2081 WeakPolarHBondContact OE1-CB 3.29Å; E1637-S2081 PolarHBondContact OE1-OG 3.05Å; E1637-K2082 VanDerWaalsContact CA-CB 3.47Å; E1637-K2082 VanDerWaalsContact CA-N 3.34Å; E1637-K2082 HydrophobicContact CB-CB 3.7Å; E1637-K2082 CarbonylContact O-C 3.45Å; E1637-K2082 VanDerWaalsContact O-CA 3.24Å; E1637-K2082 WeakPolarHBondContact O-CA 2.89Å; E1637-K2082 PolarHBondContact O-N 3.38Å; E1637-Q2083 VanDerWaalsContact C-N 3.3Å; E1637-Q2083 PolarHBondContact O-N 2.82Å | |
| 1638 | Q | 47.1 | Very low | 52.2 | Low | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -119.8 | -19.4 | 169.3 | 114.9 | -159.4 | 83 | 0 | 0 | 113.3 | T1640 G1641 I1642 K2082 D2086 | Q1638-T1640 PolarHBondContact N-OG1 3.08Å; Q1638-T1640 CarbonylContact O-C 3.18Å; Q1638-T1640 PolarHBondContact O-N 3.44Å; Q1638-G1641 CarbonylContact O-C 3.59Å; Q1638-G1641 WeakPolarHBondContact O-CA 2.93Å; Q1638-G1641 PolarHBondContact O-N 2.85Å; Q1638-I1642 HydrophobicContact CG-CB 4.49Å; Q1638-I1642 HydrophobicContact CG-CD1 3.49Å; Q1638-I1642 VanDerWaalsContact CG-CD1 3.49Å; Q1638-I1642 HydrophobicContact CG-CG1 3.8Å; Q1638-I1642 WeakPolarHBondContact O-CA 3.45Å; Q1638-I1642 WeakPolarHBondContact O-CB 3.35Å; Q1638-I1642 PolarHBondContact O-N 2.71Å; Q1638-K2082 VanDerWaalsContact CA-CD 3.47Å; Q1638-K2082 VanDerWaalsContact CA-CG 3.41Å; Q1638-K2082 HydrophobicContact CB-CB 3.51Å; Q1638-K2082 HydrophobicContact CB-CD 3.61Å; Q1638-K2082 HydrophobicContact CB-CG 3.11Å; Q1638-K2082 WeakPolarHBondContact CB-O 3.39Å; Q1638-K2082 HydrophobicContact CG-CB 4.45Å; Q1638-K2082 HydrophobicContact CG-CD 3.7Å; Q1638-K2082 HydrophobicContact CG-CG 3.52Å; Q1638-D2086 HydrophobicContact CB-CB 3.71Å; Q1638-D2086 VanDerWaalsContact CB-CG 3.41Å; Q1638-D2086 WeakPolarHBondContact CB-OD2 3.35Å; Q1638-D2086 HydrophobicContact CG-CB 4.17Å; Q1638-D2086 VanDerWaalsContact CG-CG 3.46Å; Q1638-D2086 WeakPolarHBondContact CG-OD1 3.42Å; Q1638-D2086 WeakPolarHBondContact CG-OD2 3.3Å; Q1638-D2086 PolarHBondContact NE2-O 3.32Å; Q1638-D2086 PolarHBondContact NE2-OD1 2.83Å |
| 1639 | L | 45.3 | Very low | 52 | Low | 76 Ų | 76 | 47.9 Ų | 47.9 | 40% | 0.398 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -15 | 165.9 | -87.3 | 157 | 0 | 0 | 0 | 107.7 | I1642 V1643 K2082 | L1639-I1642 HydrophobicContact CD2-CD1 4.47Å; L1639-I1642 HydrophobicContact CD2-CG2 4.33Å; L1639-V1643 WeakPolarHBondContact O-CB 2.77Å; L1639-V1643 WeakPolarHBondContact O-CG2 3.04Å; L1639-V1643 PolarHBondContact O-N 3.27Å; L1639-K2082 HydrophobicContact CB-CD 4.2Å; L1639-K2082 HydrophobicContact CG-CD 4.3Å |
| 1640 | T | 51.9 | Low | 52.6 | Low | 12 Ų | 12 | 46.9 Ų | 46.9 | 7% | 0.074 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -20.4 | 160.3 | 32.6 | 0 | 0 | 0 | 0 | 119.6 | E1637 Q1638 A2075 D2078 R2079 | E1637-T1640 WeakPolarHBondContact CA-OG1 3.39Å; E1637-T1640 PolarHBondContact O-OG1 3.31Å; Q1638-T1640 PolarHBondContact N-OG1 3.08Å; Q1638-T1640 CarbonylContact O-C 3.18Å; Q1638-T1640 PolarHBondContact O-N 3.44Å; T1640-A2075 HydrophobicContact CG2-CB 3.64Å; T1640-A2075 WeakPolarHBondContact CG2-O 3.45Å; T1640-D2078 PolarHBondContact OG1-O 2.94Å; T1640-R2079 HydrophobicContact CG2-CG 3.5Å |
| 1641 | G | 59.5 | Low | 52.9 | Low | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -38.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1638 V1643 T1644 D1645 D2086 | Q1638-G1641 CarbonylContact O-C 3.59Å; Q1638-G1641 WeakPolarHBondContact O-CA 2.93Å; Q1638-G1641 PolarHBondContact O-N 2.85Å; G1641-V1643 PolarHBondContact O-N 3.09Å; G1641-T1644 WeakPolarHBondContact CA-OG1 3.44Å; G1641-T1644 CarbonylContact O-C 3.55Å; G1641-T1644 VanDerWaalsContact O-CA 3.28Å; G1641-T1644 WeakPolarHBondContact O-CA 3.23Å; G1641-T1644 WeakPolarHBondContact O-CB 2.95Å; G1641-T1644 PolarHBondContact O-N 2.77Å; G1641-T1644 PolarHBondContact O-OG1 3.45Å; G1641-D1645 PolarHBondContact O-N 2.78Å; G1641-D2086 WeakPolarHBondContact CA-OD2 2.9Å |
| 1642 | I | 57 | Low | 53.3 | Low | 30 Ų | 30 | 45.8 Ų | 45.8 | 15% | 0.154 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53.2 | -22.6 | 149.5 | -66.4 | 166 | 0 | 0 | 0 | 110.4 | Q1638 L1639 D1645 L1646 D2086 E2090 | Q1638-I1642 HydrophobicContact CG-CB 4.49Å; Q1638-I1642 HydrophobicContact CG-CD1 3.49Å; Q1638-I1642 VanDerWaalsContact CG-CD1 3.49Å; Q1638-I1642 HydrophobicContact CG-CG1 3.8Å; Q1638-I1642 WeakPolarHBondContact O-CA 3.45Å; Q1638-I1642 WeakPolarHBondContact O-CB 3.35Å; Q1638-I1642 PolarHBondContact O-N 2.71Å; L1639-I1642 HydrophobicContact CD2-CD1 4.47Å; L1639-I1642 HydrophobicContact CD2-CG2 4.33Å; I1642-D1645 CarbonylContact O-C 3.59Å; I1642-L1646 HydrophobicContact CG2-CD1 3.77Å; I1642-L1646 HydrophobicContact CG2-CG 3.83Å; I1642-L1646 VanDerWaalsContact O-CA 3.28Å; I1642-L1646 WeakPolarHBondContact O-CA 3.41Å; I1642-L1646 WeakPolarHBondContact O-CB 3.16Å; I1642-L1646 WeakPolarHBondContact O-CD1 3.13Å; I1642-L1646 WeakPolarHBondContact O-CG 2.94Å; I1642-L1646 PolarHBondContact O-N 2.68Å; I1642-D2086 PolarHBondContact N-OD2 3.34Å; I1642-E2090 HydrophobicContact CD1-CG 3.65Å; I1642-E2090 HydrophobicContact CG1-CG 3.71Å |
| 1643 | V | 53.4 | Low | 54.1 | Low | 55 Ų | 55 | 47.4 Ų | 47.4 | 33% | 0.333 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -74.4 | -34 | 166.7 | 144.9 | 0 | 0 | 0 | 0 | 111.5 | L1639 G1641 L1646 A1647 | L1639-V1643 WeakPolarHBondContact O-CB 2.77Å; L1639-V1643 WeakPolarHBondContact O-CG2 3.04Å; L1639-V1643 PolarHBondContact O-N 3.27Å; G1641-V1643 PolarHBondContact O-N 3.09Å; V1643-L1646 HydrophobicContact CG2-CD1 4.48Å; V1643-A1647 PolarHBondContact O-N 3.33Å |
| 1644 | T | 60.6 | Low | 54.4 | Low | 60 Ų | 60 | 43.2 Ų | 43.2 | 37% | 0.368 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -72.1 | -32.9 | 169 | 44.8 | 0 | 0 | 0 | 0 | 112.6 | G1641 A1647 N1648 | G1641-T1644 WeakPolarHBondContact CA-OG1 3.44Å; G1641-T1644 CarbonylContact O-C 3.55Å; G1641-T1644 VanDerWaalsContact O-CA 3.28Å; G1641-T1644 WeakPolarHBondContact O-CA 3.23Å; G1641-T1644 WeakPolarHBondContact O-CB 2.95Å; G1641-T1644 PolarHBondContact O-N 2.77Å; G1641-T1644 PolarHBondContact O-OG1 3.45Å; T1644-A1647 WeakPolarHBondContact O-CB 3.26Å; T1644-A1647 PolarHBondContact O-N 2.64Å; T1644-N1648 PolarHBondContact O-N 2.7Å; T1644-N1648 PolarHBondContact O-ND2 3.3Å |
| 1645 | D | 60.1 | Low | 54.1 | Low | 69 Ų | 69 | 42.1 Ų | 42.1 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -84.7 | -12.1 | 172.6 | -79.7 | -59.7 | 0 | 0 | 0 | 113.5 | G1641 I1642 N1648 L1649 | G1641-D1645 PolarHBondContact O-N 2.78Å; I1642-D1645 CarbonylContact O-C 3.59Å; D1645-N1648 CarbonylContact O-C 3.14Å; D1645-N1648 PolarHBondContact OD1-ND2 2.64Å; D1645-L1649 WeakPolarHBondContact O-CA 3.35Å; D1645-L1649 VanDerWaalsContact O-CB 3.23Å; D1645-L1649 WeakPolarHBondContact O-CB 3.19Å; D1645-L1649 WeakPolarHBondContact O-CD1 3.37Å; D1645-L1649 WeakPolarHBondContact O-CG 3.32Å; D1645-L1649 PolarHBondContact O-N 2.9Å |
| 1646 | L | 51.2 | Low | 54.4 | Low | 80 Ų | 80 | 44 Ų | 44 | 42% | 0.419 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -79.1 | -30.1 | 163.3 | -81 | 165.3 | 0 | 0 | 0 | 110.1 | I1642 V1643 L1649 E1650 | I1642-L1646 HydrophobicContact CG2-CD1 3.77Å; I1642-L1646 HydrophobicContact CG2-CG 3.83Å; I1642-L1646 VanDerWaalsContact O-CA 3.28Å; I1642-L1646 WeakPolarHBondContact O-CA 3.41Å; I1642-L1646 WeakPolarHBondContact O-CB 3.16Å; I1642-L1646 WeakPolarHBondContact O-CD1 3.13Å; I1642-L1646 WeakPolarHBondContact O-CG 2.94Å; I1642-L1646 PolarHBondContact O-N 2.68Å; V1643-L1646 HydrophobicContact CG2-CD1 4.48Å; L1646-L1649 HydrophobicContact CD2-CD1 4.26Å; L1646-L1649 CarbonylContact O-C 3.18Å; L1646-L1649 PolarHBondContact O-N 2.7Å; L1646-E1650 WeakPolarHBondContact O-CA 3.48Å; L1646-E1650 WeakPolarHBondContact O-CB 3.16Å; L1646-E1650 PolarHBondContact O-N 2.99Å |
| 1647 | A | 53.8 | Low | 55.1 | Low | 45 Ų | 45 | 44 Ų | 44 | 37% | 0.372 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -70 | -37.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1643 T1644 L1649 E1650 A1651 | V1643-A1647 PolarHBondContact O-N 3.33Å; T1644-A1647 WeakPolarHBondContact O-CB 3.26Å; T1644-A1647 PolarHBondContact O-N 2.64Å; A1647-L1649 VanDerWaalsContact C-N 3.32Å; A1647-E1650 WeakPolarHBondContact O-CB 3.36Å; A1647-E1650 PolarHBondContact O-N 2.79Å; A1647-E1650 VanDerWaalsContact O-N 3.17Å; A1647-A1651 PolarHBondContact O-N 2.99Å |
| 1648 | N | 60.8 | Low | 55.6 | Low | 94 Ų | 94 | 44.7 Ų | 44.7 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.9 | -31.2 | 168.3 | -60.4 | -32.9 | 0 | 0 | 0 | 111.7 | T1644 D1645 E1650 T1652 | T1644-N1648 PolarHBondContact O-N 2.7Å; T1644-N1648 PolarHBondContact O-ND2 3.3Å; D1645-N1648 CarbonylContact O-C 3.14Å; D1645-N1648 PolarHBondContact OD1-ND2 2.64Å; N1648-E1650 VanDerWaalsContact C-N 3.3Å; N1648-T1652 WeakPolarHBondContact O-CB 3.13Å; N1648-T1652 PolarHBondContact O-N 3.06Å; N1648-T1652 PolarHBondContact O-OG1 3.18Å |
| 1649 | L | 54.3 | Low | 55.8 | Low | 71 Ų | 71 | 45.9 Ų | 45.9 | 37% | 0.372 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -78.7 | -12.1 | 171.4 | -71.1 | 161.5 | 0 | 0 | 0 | 112.5 | D1645 L1646 A1647 T1652 V1653 | D1645-L1649 WeakPolarHBondContact O-CA 3.35Å; D1645-L1649 VanDerWaalsContact O-CB 3.23Å; D1645-L1649 WeakPolarHBondContact O-CB 3.19Å; D1645-L1649 WeakPolarHBondContact O-CD1 3.37Å; D1645-L1649 WeakPolarHBondContact O-CG 3.32Å; D1645-L1649 PolarHBondContact O-N 2.9Å; L1646-L1649 HydrophobicContact CD2-CD1 4.26Å; L1646-L1649 CarbonylContact O-C 3.18Å; L1646-L1649 PolarHBondContact O-N 2.7Å; A1647-L1649 VanDerWaalsContact C-N 3.32Å; L1649-T1652 HydrophobicContact CD2-CG2 4Å; L1649-T1652 CarbonylContact O-C 3.1Å; L1649-T1652 WeakPolarHBondContact O-CB 3.15Å; L1649-T1652 PolarHBondContact O-N 2.73Å; L1649-V1653 WeakPolarHBondContact O-CB 3.23Å; L1649-V1653 WeakPolarHBondContact O-CG2 3.27Å; L1649-V1653 PolarHBondContact O-N 2.91Å |
| 1650 | E | 49.8 | Very low | 56.3 | Low | 68 Ų | 68 | 43.7 Ų | 43.7 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -85.1 | -42.8 | 174.7 | 178.7 | 162.2 | -89 | 0 | 0 | 110 | K313 L1646 A1647 N1648 T1652 S1654 | K313-E1650 HydrophobicContact CD-CG 4.49Å; K313-E1650 WeakPolarHBondContact CE-OE1 3.35Å; K313-E1650 IonicContact NZ-OE1 2.99Å; K313-E1650 PolarHBondContact NZ-OE1 3.34Å; L1646-E1650 WeakPolarHBondContact O-CA 3.48Å; L1646-E1650 WeakPolarHBondContact O-CB 3.16Å; L1646-E1650 PolarHBondContact O-N 2.99Å; A1647-E1650 WeakPolarHBondContact O-CB 3.36Å; A1647-E1650 PolarHBondContact O-N 2.79Å; A1647-E1650 VanDerWaalsContact O-N 3.17Å; N1648-E1650 VanDerWaalsContact C-N 3.3Å; E1650-T1652 PolarHBondContact O-N 2.8Å; E1650-S1654 WeakPolarHBondContact O-CB 3.38Å; E1650-S1654 PolarHBondContact O-N 2.85Å; E1650-S1654 PolarHBondContact O-OG 2.83Å |
| 1651 | A | 57.1 | Low | 57 | Low | 53 Ų | 53 | 44.5 Ų | 44.5 | 44% | 0.438 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -55.9 | -36.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1647 S1654 G2600 | A1647-A1651 PolarHBondContact O-N 2.99Å; A1651-S1654 VanDerWaalsContact O-CB 3.3Å; A1651-S1654 WeakPolarHBondContact O-CB 3.44Å; A1651-S1654 PolarHBondContact O-N 2.77Å; A1651-G2600 WeakPolarHBondContact O-CA 3.1Å; A1651-G2600 PolarHBondContact O-N 2.87Å |
| 1652 | T | 60.2 | Low | 57.1 | Low | 18 Ų | 18 | 44.7 Ų | 44.7 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.8 | -50.6 | 178.7 | -65.5 | 0 | 0 | 0 | 0 | 113.9 | N1648 L1649 E1650 S1654 Q1655 R1656 S2599 | N1648-T1652 WeakPolarHBondContact O-CB 3.13Å; N1648-T1652 PolarHBondContact O-N 3.06Å; N1648-T1652 PolarHBondContact O-OG1 3.18Å; L1649-T1652 HydrophobicContact CD2-CG2 4Å; L1649-T1652 CarbonylContact O-C 3.1Å; L1649-T1652 WeakPolarHBondContact O-CB 3.15Å; L1649-T1652 PolarHBondContact O-N 2.73Å; E1650-T1652 PolarHBondContact O-N 2.8Å; T1652-S1654 PolarHBondContact O-N 3.16Å; T1652-Q1655 WeakPolarHBondContact O-CA 3.5Å; T1652-Q1655 WeakPolarHBondContact O-CB 3.34Å; T1652-Q1655 PolarHBondContact O-N 2.9Å; T1652-R1656 PolarHBondContact O-N 3.4Å; T1652-S2599 WeakPolarHBondContact OG1-CB 3.13Å |
| 1653 | V | 58.3 | Low | 57.5 | Low | 38 Ų | 38 | 46 Ų | 46 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.2 | -30.1 | 175.4 | 171 | 0 | 0 | 0 | 0 | 108.4 | K313 L1649 Q1655 R1656 R1657 | K313-V1653 HydrophobicContact CB-CG1 4.37Å; K313-V1653 HydrophobicContact CD-CG1 4.13Å; L1649-V1653 WeakPolarHBondContact O-CB 3.23Å; L1649-V1653 WeakPolarHBondContact O-CG2 3.27Å; L1649-V1653 PolarHBondContact O-N 2.91Å; V1653-Q1655 CarbonylContact O-C 3.22Å; V1653-Q1655 PolarHBondContact O-N 3.02Å; V1653-Q1655 VanDerWaalsContact O-N 3.11Å; V1653-R1656 CarbonylContact O-C 3.58Å; V1653-R1656 WeakPolarHBondContact O-CA 3.07Å; V1653-R1656 WeakPolarHBondContact O-CB 3.19Å; V1653-R1656 PolarHBondContact O-N 3.11Å; V1653-R1657 HydrophobicContact CG1-CG 3.81Å; V1653-R1657 WeakPolarHBondContact O-CG 3.44Å; V1653-R1657 PolarHBondContact O-N 3.27Å |
| 1654 | S | 58.2 | Low | 57.8 | Low | 17 Ų | 17 | 45.4 Ų | 45.4 | 12% | 0.119 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.8 | -25.3 | 169.6 | -57.5 | 0 | 0 | 0 | 0 | 114.8 | L317 E1650 A1651 T1652 R1657 S2601 S2602 | L317-S1654 WeakPolarHBondContact CD1-O 3.48Å; E1650-S1654 WeakPolarHBondContact O-CB 3.38Å; E1650-S1654 PolarHBondContact O-N 2.85Å; E1650-S1654 PolarHBondContact O-OG 2.83Å; A1651-S1654 VanDerWaalsContact O-CB 3.3Å; A1651-S1654 WeakPolarHBondContact O-CB 3.44Å; A1651-S1654 PolarHBondContact O-N 2.77Å; T1652-S1654 PolarHBondContact O-N 3.16Å; S1654-R1657 VanDerWaalsContact OG-CZ 3.32Å; S1654-R1657 PolarHBondContact OG-NH1 2.89Å; S1654-R1657 VanDerWaalsContact OG-NH1 3.13Å; S1654-S2601 CarbonylContact O-C 3.49Å; S1654-S2601 VanDerWaalsContact O-CA 3.27Å; S1654-S2601 WeakPolarHBondContact O-CA 3.5Å; S1654-S2601 PolarHBondContact O-N 3.48Å; S1654-S2602 PolarHBondContact O-N 3.42Å |
| 1655 | Q | 50.5 | Low | 58 | Low | 7 Ų | 7 | 42.5 Ų | 42.5 | 3% | 0.033 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.3 | -53.3 | 163.1 | 179.1 | 177.4 | -36.3 | 0 | 0 | 110.9 | T1652 V1653 R1657 A1658 E1659 K2598 S2599 S2601 | T1652-Q1655 WeakPolarHBondContact O-CA 3.5Å; T1652-Q1655 WeakPolarHBondContact O-CB 3.34Å; T1652-Q1655 PolarHBondContact O-N 2.9Å; V1653-Q1655 CarbonylContact O-C 3.22Å; V1653-Q1655 PolarHBondContact O-N 3.02Å; V1653-Q1655 VanDerWaalsContact O-N 3.11Å; Q1655-R1657 PolarHBondContact O-N 3.02Å; Q1655-A1658 CarbonylContact O-C 3.34Å; Q1655-A1658 VanDerWaalsContact O-CA 3.28Å; Q1655-A1658 WeakPolarHBondContact O-CA 3.44Å; Q1655-A1658 WeakPolarHBondContact O-CB 3.08Å; Q1655-A1658 PolarHBondContact O-N 3.03Å; Q1655-E1659 HydrophobicContact CG-CG 3.74Å; Q1655-E1659 PolarHBondContact NE2-OE1 3.47Å; Q1655-E1659 WeakPolarHBondContact O-CG 3.25Å; Q1655-E1659 PolarHBondContact O-N 2.93Å; Q1655-K2598 VanDerWaalsContact CD-O 3.32Å; Q1655-K2598 PolarHBondContact NE2-O 3.03Å; Q1655-K2598 PolarHBondContact OE1-O 3.1Å; Q1655-S2599 VanDerWaalsContact CD-N 3.26Å; Q1655-S2599 PolarHBondContact OE1-O 3.19Å; Q1655-S2601 VanDerWaalsContact CA-O 3.31Å; Q1655-S2601 WeakPolarHBondContact CA-O 3.45Å |
| 1656 | R | 57.9 | Low | 58.1 | Low | 101 Ų | 101 | 40.3 Ų | 40.3 | 38% | 0.381 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -47.4 | -36.7 | -179.6 | -75.5 | -78 | 179.3 | 122.1 | -6.6 | 113.8 | T1652 V1653 A1658 E1659 L1660 H2596 F2597 | T1652-R1656 PolarHBondContact O-N 3.4Å; V1653-R1656 CarbonylContact O-C 3.58Å; V1653-R1656 WeakPolarHBondContact O-CA 3.07Å; V1653-R1656 WeakPolarHBondContact O-CB 3.19Å; V1653-R1656 PolarHBondContact O-N 3.11Å; R1656-A1658 VanDerWaalsContact C-N 3.33Å; R1656-E1659 VanDerWaalsContact CD-OE2 3.22Å; R1656-E1659 WeakPolarHBondContact CD-OE2 3.47Å; R1656-E1659 IonicContact NE-OE2 3.71Å; R1656-E1659 CarbonylContact O-C 3.49Å; R1656-E1659 WeakPolarHBondContact O-CA 3.38Å; R1656-E1659 WeakPolarHBondContact O-CB 3.05Å; R1656-E1659 PolarHBondContact O-N 2.83Å; R1656-E1659 VanDerWaalsContact O-N 3.16Å; R1656-L1660 WeakPolarHBondContact O-CG 3.44Å; R1656-L1660 PolarHBondContact O-N 3.17Å; R1656-H2596 PolarHBondContact NH2-O 2.87Å; R1656-F2597 PolarHBondContact NE-O 2.84Å; R1656-F2597 VanDerWaalsContact NE-O 3.14Å; R1656-F2597 PolarHBondContact NH2-O 3.1Å |
| 1657 | R | 62.8 | Low | 58.6 | Low | 11 Ų | 11 | 39.2 Ų | 39.2 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.7 | -22.9 | 176.4 | -55.6 | 163.5 | -152.4 | -176.2 | -21.5 | 113.4 | K313 E316 L317 V1653 S1654 Q1655 L1660 S1661 | K313-R1657 VanDerWaalsContact C-CD 3.46Å; K313-R1657 WeakPolarHBondContact O-CD 3.08Å; K313-R1657 PolarHBondContact O-NE 2.73Å; K313-R1657 VanDerWaalsContact O-NE 3.17Å; K313-R1657 PolarHBondContact O-NH1 2.86Å; K313-R1657 PolarHBondContact O-NH2 2.92Å; E316-R1657 IonicContact OE2-CZ 2.77Å; E316-R1657 IonicContact OE2-NH1 3.17Å; E316-R1657 IonicContact OE2-NH2 3.5Å; E316-R1657 PolarHBondContact OE2-NH2 3.42Å; L317-R1657 HydrophobicContact CB-CB 3.81Å; L317-R1657 HydrophobicContact CB-CG 4.16Å; L317-R1657 HydrophobicContact CD1-CB 4.34Å; L317-R1657 HydrophobicContact CD2-CB 3.16Å; L317-R1657 HydrophobicContact CD2-CG 4.35Å; L317-R1657 HydrophobicContact CG-CB 3.76Å; V1653-R1657 HydrophobicContact CG1-CG 3.81Å; V1653-R1657 WeakPolarHBondContact O-CG 3.44Å; V1653-R1657 PolarHBondContact O-N 3.27Å; S1654-R1657 VanDerWaalsContact OG-CZ 3.32Å; S1654-R1657 PolarHBondContact OG-NH1 2.89Å; S1654-R1657 VanDerWaalsContact OG-NH1 3.13Å; Q1655-R1657 PolarHBondContact O-N 3.02Å; R1657-L1660 WeakPolarHBondContact O-CB 3.34Å; R1657-S1661 PolarHBondContact O-N 3.49Å |
| 1658 | A | 57.9 | Low | 59.2 | Low | 27 Ų | 27 | 38.1 Ų | 38.1 | 22% | 0.223 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -90.8 | -18.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L317 Q1655 R1656 S1661 T1662 | L317-A1658 HydrophobicContact CD2-CB 4.2Å; Q1655-A1658 CarbonylContact O-C 3.34Å; Q1655-A1658 VanDerWaalsContact O-CA 3.28Å; Q1655-A1658 WeakPolarHBondContact O-CA 3.44Å; Q1655-A1658 WeakPolarHBondContact O-CB 3.08Å; Q1655-A1658 PolarHBondContact O-N 3.03Å; R1656-A1658 VanDerWaalsContact C-N 3.33Å; A1658-S1661 CarbonylContact O-C 3.14Å; A1658-S1661 WeakPolarHBondContact O-CB 3.17Å; A1658-S1661 PolarHBondContact O-N 2.61Å; A1658-T1662 WeakPolarHBondContact O-CG2 2.91Å; A1658-T1662 PolarHBondContact O-N 3.24Å |
| 1659 | E | 52 | Low | 59 | Low | 31 Ų | 31 | 33.6 Ų | 33.6 | 15% | 0.145 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -75.5 | -14 | 161.4 | -39.9 | -172 | 119.2 | 0 | 0 | 111.9 | Q1655 R1656 T1662 R1895 | Q1655-E1659 HydrophobicContact CG-CG 3.74Å; Q1655-E1659 PolarHBondContact NE2-OE1 3.47Å; Q1655-E1659 WeakPolarHBondContact O-CG 3.25Å; Q1655-E1659 PolarHBondContact O-N 2.93Å; R1656-E1659 VanDerWaalsContact CD-OE2 3.22Å; R1656-E1659 WeakPolarHBondContact CD-OE2 3.47Å; R1656-E1659 IonicContact NE-OE2 3.71Å; R1656-E1659 CarbonylContact O-C 3.49Å; R1656-E1659 WeakPolarHBondContact O-CA 3.38Å; R1656-E1659 WeakPolarHBondContact O-CB 3.05Å; R1656-E1659 PolarHBondContact O-N 2.83Å; R1656-E1659 VanDerWaalsContact O-N 3.16Å; E1659-T1662 VanDerWaalsContact C-OG1 3.29Å; E1659-T1662 WeakPolarHBondContact CA-OG1 3Å; E1659-T1662 CarbonylContact O-C 3.53Å; E1659-T1662 VanDerWaalsContact O-C 3.28Å; E1659-T1662 WeakPolarHBondContact O-CA 3.32Å; E1659-T1662 PolarHBondContact O-N 2.74Å; E1659-T1662 PolarHBondContact O-OG1 2.77Å; E1659-R1895 IonicContact OE1-NH1 3.41Å; E1659-R1895 PolarHBondContact OE1-NH1 3.14Å |
| 1660 | L | 54.5 | Low | 59.5 | Low | 29 Ų | 29 | 32.3 Ų | 32.3 | 15% | 0.152 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -80.1 | -37 | 164.5 | -79.8 | 165.8 | 0 | 0 | 0 | 110.2 | L310 T821 R1656 R1657 T1662 L1663 D1664 | L310-L1660 HydrophobicContact CD1-CD1 4.09Å; L310-L1660 HydrophobicContact CD2-CD1 3.83Å; L310-L1660 HydrophobicContact CG-CD1 4.24Å; T821-L1660 CarbonylContact O-C 3.33Å; T821-L1660 WeakPolarHBondContact OG1-CB 3.25Å; T821-L1660 VanDerWaalsContact OG1-CD2 3.27Å; T821-L1660 WeakPolarHBondContact OG1-CD2 2.88Å; T821-L1660 PolarHBondContact OG1-O 2.89Å; R1656-L1660 WeakPolarHBondContact O-CG 3.44Å; R1656-L1660 PolarHBondContact O-N 3.17Å; R1657-L1660 WeakPolarHBondContact O-CB 3.34Å; L1660-T1662 PolarHBondContact O-N 3.43Å; L1660-L1663 HydrophobicContact CD2-CB 4.46Å; L1660-L1663 HydrophobicContact CD2-CD2 4.41Å; L1660-L1663 CarbonylContact O-C 3.51Å; L1660-L1663 WeakPolarHBondContact O-CA 3.26Å; L1660-L1663 WeakPolarHBondContact O-CB 3.27Å; L1660-L1663 PolarHBondContact O-N 3.26Å; L1660-D1664 PolarHBondContact O-N 2.6Å; L1660-D1664 VanDerWaalsContact O-N 3.14Å |
| 1661 | S | 67.1 | Low | 60.2 | Low | 29 Ų | 29 | 32.2 Ų | 32.2 | 20% | 0.203 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.5 | -23 | 160.3 | -177.9 | 0 | 0 | 0 | 0 | 112.5 | T822 R1657 A1658 L1663 T1665 R1899 | T822-S1661 VanDerWaalsContact O-CA 3.3Å; T822-S1661 WeakPolarHBondContact O-CA 3.39Å; T822-S1661 VanDerWaalsContact O-CB 3.28Å; T822-S1661 WeakPolarHBondContact O-CB 3.44Å; T822-S1661 PolarHBondContact O-OG 2.79Å; T822-S1661 VanDerWaalsContact OG1-CA 3.29Å; T822-S1661 WeakPolarHBondContact OG1-CA 3.13Å; T822-S1661 PolarHBondContact OG1-N 3.23Å; R1657-S1661 PolarHBondContact O-N 3.49Å; A1658-S1661 CarbonylContact O-C 3.14Å; A1658-S1661 WeakPolarHBondContact O-CB 3.17Å; A1658-S1661 PolarHBondContact O-N 2.61Å; S1661-L1663 PolarHBondContact O-N 3.44Å; S1661-T1665 PolarHBondContact O-OG1 3.2Å; S1661-R1899 PolarHBondContact O-NH2 2.74Å; S1661-R1899 PolarHBondContact OG-NH2 2.68Å |
| 1662 | T | 62.3 | Low | 60.1 | Low | 6 Ų | 6 | 30.3 Ų | 30.3 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 25.4 | 161.4 | 84.7 | 0 | 0 | 0 | 0 | 113.5 | A1658 E1659 L1660 T1665 N1666 R1895 R1899 | A1658-T1662 WeakPolarHBondContact O-CG2 2.91Å; A1658-T1662 PolarHBondContact O-N 3.24Å; E1659-T1662 VanDerWaalsContact C-OG1 3.29Å; E1659-T1662 WeakPolarHBondContact CA-OG1 3Å; E1659-T1662 CarbonylContact O-C 3.53Å; E1659-T1662 VanDerWaalsContact O-C 3.28Å; E1659-T1662 WeakPolarHBondContact O-CA 3.32Å; E1659-T1662 PolarHBondContact O-N 2.74Å; E1659-T1662 PolarHBondContact O-OG1 2.77Å; L1660-T1662 PolarHBondContact O-N 3.43Å; T1662-T1665 WeakPolarHBondContact CA-OG1 3.48Å; T1662-N1666 PolarHBondContact O-ND2 2.88Å; T1662-R1895 VanDerWaalsContact CG2-CZ 3.48Å; T1662-R1895 WeakPolarHBondContact OG1-CD 3.2Å; T1662-R1895 PolarHBondContact OG1-NE 2.99Å; T1662-R1899 HydrophobicContact CG2-CG 4.35Å; T1662-R1899 VanDerWaalsContact CG2-CZ 3.45Å |
| 1663 | L | 64.6 | Low | 59.7 | Low | 57 Ų | 57 | 33.2 Ų | 33.2 | 30% | 0.298 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -147.5 | -27.3 | -175.1 | -142 | 110.6 | 0 | 0 | 0 | 117.6 | S820 L1660 S1661 T1665 N1666 I1667 | S820-L1663 CarbonylContact O-C 3.35Å; S820-L1663 WeakPolarHBondContact OG-CD2 3.43Å; L1660-L1663 HydrophobicContact CD2-CB 4.46Å; L1660-L1663 HydrophobicContact CD2-CD2 4.41Å; L1660-L1663 CarbonylContact O-C 3.51Å; L1660-L1663 WeakPolarHBondContact O-CA 3.26Å; L1660-L1663 WeakPolarHBondContact O-CB 3.27Å; L1660-L1663 PolarHBondContact O-N 3.26Å; S1661-L1663 PolarHBondContact O-N 3.44Å; L1663-T1665 PolarHBondContact N-OG1 3.42Å; L1663-T1665 PolarHBondContact O-N 3.35Å; L1663-N1666 VanDerWaalsContact CD1-ND2 3.26Å; L1663-N1666 WeakPolarHBondContact CD1-ND2 2.91Å; L1663-N1666 HydrophobicContact CG-CB 4.22Å; L1663-N1666 WeakPolarHBondContact CG-ND2 3Å; L1663-N1666 WeakPolarHBondContact O-CA 3.46Å; L1663-N1666 VanDerWaalsContact O-CB 3.29Å; L1663-N1666 WeakPolarHBondContact O-CB 3.12Å; L1663-N1666 PolarHBondContact O-N 3.39Å; L1663-I1667 PolarHBondContact O-N 3.33Å |
| 1664 | D | 60.2 | Low | 59.8 | Low | 42 Ų | 42 | 33.6 Ų | 33.6 | 23% | 0.225 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 47.1 | 135.2 | -78.2 | 7.1 | 0 | 0 | 0 | 106.5 | S820 T821 T822 V823 L1660 I1667 Q1906 | S820-D1664 PolarHBondContact O-N 3.29Å; T821-D1664 VanDerWaalsContact C-OD1 3.28Å; T821-D1664 WeakPolarHBondContact CA-OD1 3.32Å; T821-D1664 PolarHBondContact N-OD1 3.12Å; T821-D1664 WeakPolarHBondContact O-CA 3.45Å; T821-D1664 VanDerWaalsContact O-CB 3.25Å; T821-D1664 WeakPolarHBondContact O-CB 3.24Å; T821-D1664 PolarHBondContact O-N 2.73Å; T822-D1664 PolarHBondContact N-OD2 3.35Å; V823-D1664 CarbonylContact C-O 3.53Å; V823-D1664 VanDerWaalsContact CA-O 3.25Å; V823-D1664 WeakPolarHBondContact CA-O 3.4Å; V823-D1664 WeakPolarHBondContact CB-O 3.06Å; V823-D1664 WeakPolarHBondContact CG1-O 3.4Å; V823-D1664 PolarHBondContact N-O 3.19Å; L1660-D1664 PolarHBondContact O-N 2.6Å; L1660-D1664 VanDerWaalsContact O-N 3.14Å; D1664-I1667 WeakPolarHBondContact OD1-CD1 3.44Å; D1664-Q1906 VanDerWaalsContact O-CD 3.23Å; D1664-Q1906 PolarHBondContact O-NE2 2.88Å; D1664-Q1906 PolarHBondContact O-OE1 2.78Å |
| 1665 | T | 65.6 | Low | 60.4 | Low | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | 30.9 | 143.9 | 27 | 0 | 0 | 0 | 0 | 106.7 | V823 S1661 T1662 L1663 R1899 L1902 E1903 Q1906 | V823-T1665 HydrophobicContact CB-CG2 3.89Å; V823-T1665 HydrophobicContact CG1-CG2 3.17Å; S1661-T1665 PolarHBondContact O-OG1 3.2Å; T1662-T1665 WeakPolarHBondContact CA-OG1 3.48Å; L1663-T1665 PolarHBondContact N-OG1 3.42Å; L1663-T1665 PolarHBondContact O-N 3.35Å; T1665-R1899 HydrophobicContact CG2-CG 4.32Å; T1665-R1899 VanDerWaalsContact O-O 3.13Å; T1665-R1899 WeakPolarHBondContact OG1-CG 3.38Å; T1665-R1899 PolarHBondContact OG1-NE 2.81Å; T1665-L1902 CarbonylContact C-O 3.57Å; T1665-L1902 VanDerWaalsContact C-O 3.3Å; T1665-L1902 CarbonylContact O-C 3.51Å; T1665-E1903 HydrophobicContact CG2-CG 3.46Å; T1665-E1903 VanDerWaalsContact CG2-CG 3.46Å; T1665-E1903 WeakPolarHBondContact CG2-OE1 3.26Å; T1665-Q1906 WeakPolarHBondContact O-CB 3.15Å |
| 1666 | N | 62 | Low | 61.1 | Low | 23 Ų | 23 | 37.8 Ų | 37.8 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -146.7 | -4.4 | -179.3 | -57.2 | -19.3 | 0 | 0 | 0 | 115.3 | T1662 L1663 S1670 L1902 E1905 Q1906 | T1662-N1666 PolarHBondContact O-ND2 2.88Å; L1663-N1666 VanDerWaalsContact CD1-ND2 3.26Å; L1663-N1666 WeakPolarHBondContact CD1-ND2 2.91Å; L1663-N1666 HydrophobicContact CG-CB 4.22Å; L1663-N1666 WeakPolarHBondContact CG-ND2 3Å; L1663-N1666 WeakPolarHBondContact O-CA 3.46Å; L1663-N1666 VanDerWaalsContact O-CB 3.29Å; L1663-N1666 WeakPolarHBondContact O-CB 3.12Å; L1663-N1666 PolarHBondContact O-N 3.39Å; N1666-S1670 VanDerWaalsContact O-CB 3.31Å; N1666-S1670 WeakPolarHBondContact O-CB 3.39Å; N1666-S1670 PolarHBondContact O-OG 2.67Å; N1666-L1902 VanDerWaalsContact CA-O 3.23Å; N1666-L1902 WeakPolarHBondContact CA-O 3.32Å; N1666-L1902 HydrophobicContact CB-CB 4.42Å; N1666-L1902 HydrophobicContact CB-CD2 3.65Å; N1666-L1902 HydrophobicContact CB-CG 3.58Å; N1666-L1902 WeakPolarHBondContact OD1-CB 3.29Å; N1666-L1902 WeakPolarHBondContact OD1-CD2 3.42Å; N1666-L1902 WeakPolarHBondContact OD1-CG 3.06Å; N1666-E1905 CarbonylContact C-O 3.49Å; N1666-E1905 VanDerWaalsContact CA-O 3.32Å; N1666-E1905 WeakPolarHBondContact CA-O 3.25Å; N1666-Q1906 VanDerWaalsContact N-OE1 3.11Å |
| 1667 | I | 62 | Low | 61.5 | Low | 56 Ų | 56 | 35.1 Ų | 35.1 | 29% | 0.287 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -96.7 | -53.3 | 174 | -59.1 | 177.2 | 0 | 0 | 0 | 110.9 | L1663 D1664 D1669 S1670 E1905 | L1663-I1667 PolarHBondContact O-N 3.33Å; D1664-I1667 WeakPolarHBondContact OD1-CD1 3.44Å; I1667-D1669 CarbonylContact O-C 3.51Å; I1667-D1669 PolarHBondContact O-N 2.81Å; I1667-S1670 WeakPolarHBondContact CA-OG 3.2Å; I1667-S1670 PolarHBondContact O-N 2.98Å; I1667-S1670 PolarHBondContact O-OG 2.81Å; I1667-E1905 PolarHBondContact N-O 3.01Å |
| 1668 | Q | 65.5 | Low | 61.5 | Low | 22 Ų | 22 | 35.2 Ų | 35.2 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 13.8 | -176.1 | 141.6 | -119.4 | -64.5 | 0 | 0 | 116.4 | Q824 E825 Q1906 K1907 V1909 A1910 | Q824-Q1668 VanDerWaalsContact C-NE2 3.29Å; Q824-Q1668 VanDerWaalsContact N-OE1 3.13Å; Q824-Q1668 PolarHBondContact O-NE2 2.68Å; Q824-Q1668 PolarHBondContact O-OE1 3.45Å; E825-Q1668 PolarHBondContact O-NE2 2.74Å; E825-Q1668 VanDerWaalsContact O-NE2 3.07Å; Q1668-Q1906 VanDerWaalsContact C-CA 3.46Å; Q1668-Q1906 HydrophobicContact CB-CG 3.26Å; Q1668-Q1906 HydrophobicContact CG-CG 3.65Å; Q1668-Q1906 VanDerWaalsContact N-CD 3.25Å; Q1668-Q1906 VanDerWaalsContact NE2-C 3.28Å; Q1668-Q1906 PolarHBondContact NE2-O 3.39Å; Q1668-K1907 CarbonylContact O-C 3.42Å; Q1668-K1907 PolarHBondContact O-N 3.31Å; Q1668-V1909 VanDerWaalsContact C-C 3.46Å; Q1668-V1909 VanDerWaalsContact C-N 3.34Å; Q1668-V1909 CarbonylContact C-O 3.53Å; Q1668-V1909 WeakPolarHBondContact CA-O 3.32Å; Q1668-V1909 CarbonylContact O-C 3.32Å; Q1668-V1909 WeakPolarHBondContact O-CA 2.87Å; Q1668-V1909 PolarHBondContact O-N 3.28Å; Q1668-A1910 HydrophobicContact CB-CB 3.91Å; Q1668-A1910 HydrophobicContact CG-CB 3.41Å; Q1668-A1910 VanDerWaalsContact CG-CB 3.41Å |
| 1669 | D | 56.7 | Low | 61.7 | Low | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -132.1 | 0.2 | 137 | 27.5 | -173.5 | 0 | 0 | 0 | 115.6 | I1667 D1671 Q1672 Q1904 E1905 Q1906 K1907 S1908 V1909 | I1667-D1669 CarbonylContact O-C 3.51Å; I1667-D1669 PolarHBondContact O-N 2.81Å; D1669-D1671 CarbonylContact O-C 3.28Å; D1669-Q1672 HydrophobicContact CB-CB 4.31Å; D1669-Q1672 HydrophobicContact CB-CG 4.07Å; D1669-Q1672 WeakPolarHBondContact O-CA 3.42Å; D1669-Q1672 WeakPolarHBondContact O-CB 3.44Å; D1669-Q1672 PolarHBondContact O-N 2.99Å; D1669-Q1904 VanDerWaalsContact CG-CA 3.47Å; D1669-Q1904 WeakPolarHBondContact OD1-CA 3.01Å; D1669-Q1904 WeakPolarHBondContact OD2-CA 2.86Å; D1669-E1905 CarbonylContact C-O 3.45Å; D1669-E1905 VanDerWaalsContact CA-O 3.32Å; D1669-E1905 WeakPolarHBondContact CA-O 3.3Å; D1669-E1905 HydrophobicContact CB-CB 4.19Å; D1669-E1905 HydrophobicContact CB-CG 4.1Å; D1669-E1905 PolarHBondContact N-O 3.13Å; D1669-E1905 WeakPolarHBondContact O-CG 3.49Å; D1669-E1905 WeakPolarHBondContact OD2-CA 2.97Å; D1669-E1905 PolarHBondContact OD2-N 2.85Å; D1669-Q1906 VanDerWaalsContact N-CA 3.3Å; D1669-Q1906 WeakPolarHBondContact OD2-CA 3.38Å; D1669-Q1906 PolarHBondContact OD2-N 3.09Å; D1669-K1907 VanDerWaalsContact CG-N 3.33Å; D1669-K1907 WeakPolarHBondContact OD2-CA 3.36Å; D1669-K1907 PolarHBondContact OD2-N 2.78Å; D1669-S1908 VanDerWaalsContact CB-C 3.45Å; D1669-S1908 VanDerWaalsContact CB-CA 3.46Å; D1669-S1908 VanDerWaalsContact CB-N 3.34Å; D1669-S1908 VanDerWaalsContact CG-CA 3.47Å; D1669-S1908 VanDerWaalsContact CG-CB 3.48Å; D1669-S1908 VanDerWaalsContact OD1-CA 3.22Å; D1669-S1908 WeakPolarHBondContact OD1-CA 3.39Å; D1669-S1908 WeakPolarHBondContact OD1-CB 3.05Å; D1669-S1908 PolarHBondContact OD1-N 3.49Å; D1669-S1908 PolarHBondContact OD1-OG 3.28Å; D1669-S1908 PolarHBondContact OD2-N 2.76Å; D1669-V1909 VanDerWaalsContact C-CG2 3.41Å; D1669-V1909 HydrophobicContact CB-CB 4.21Å; D1669-V1909 HydrophobicContact CB-CG2 3.79Å; D1669-V1909 VanDerWaalsContact O-CG2 3.25Å; D1669-V1909 WeakPolarHBondContact O-CG2 3.32Å |
| 1670 | S | 64.2 | Low | 61.6 | Low | 44 Ų | 44 | 38.8 Ų | 38.8 | 31% | 0.308 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -73.9 | 140.3 | 172.5 | 61.5 | 0 | 0 | 0 | 0 | 110.8 | N1666 I1667 E1905 V1909 | N1666-S1670 VanDerWaalsContact O-CB 3.31Å; N1666-S1670 WeakPolarHBondContact O-CB 3.39Å; N1666-S1670 PolarHBondContact O-OG 2.67Å; I1667-S1670 WeakPolarHBondContact CA-OG 3.2Å; I1667-S1670 PolarHBondContact O-N 2.98Å; I1667-S1670 PolarHBondContact O-OG 2.81Å; S1670-E1905 WeakPolarHBondContact CA-OE2 3.06Å; S1670-E1905 PolarHBondContact N-O 2.88Å; S1670-E1905 VanDerWaalsContact N-O 3.14Å; S1670-V1909 WeakPolarHBondContact O-CG1 3.46Å |
| 1671 | D | 64.1 | Low | 61.8 | Low | 66 Ų | 66 | 37.5 Ų | 37.5 | 35% | 0.353 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 61.3 | 48.9 | -149.7 | -157.8 | 169.9 | 0 | 0 | 0 | 111.8 | D1669 Q1673 L1674 V1909 | D1669-D1671 CarbonylContact O-C 3.28Å; D1671-Q1673 VanDerWaalsContact OD2-CB 3.31Å; D1671-Q1673 WeakPolarHBondContact OD2-CB 3.37Å; D1671-L1674 HydrophobicContact CB-CB 4.48Å; D1671-L1674 WeakPolarHBondContact O-CB 2.96Å; D1671-L1674 PolarHBondContact O-N 2.9Å; D1671-L1674 WeakPolarHBondContact OD1-CD1 3.45Å; D1671-L1674 WeakPolarHBondContact OD1-CG 3.02Å; D1671-L1674 PolarHBondContact OD2-N 2.81Å; D1671-V1909 WeakPolarHBondContact O-CG2 3.41Å |
| 1672 | Q | 56.5 | Low | 61.9 | Low | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -50.3 | -71.5 | 178.3 | -164.5 | -116.6 | 28.1 | 0 | 0 | 113.2 | D1669 L1674 S1675 I1676 E1905 V1909 L1912 G2551 E2552 | D1669-Q1672 HydrophobicContact CB-CB 4.31Å; D1669-Q1672 HydrophobicContact CB-CG 4.07Å; D1669-Q1672 WeakPolarHBondContact O-CA 3.42Å; D1669-Q1672 WeakPolarHBondContact O-CB 3.44Å; D1669-Q1672 PolarHBondContact O-N 2.99Å; Q1672-L1674 PolarHBondContact O-N 2.58Å; Q1672-S1675 PolarHBondContact O-N 2.79Å; Q1672-I1676 VanDerWaalsContact OE1-CD1 3.23Å; Q1672-E1905 HydrophobicContact CB-CG 4.46Å; Q1672-V1909 HydrophobicContact CB-CG2 4.32Å; Q1672-L1912 WeakPolarHBondContact O-CD1 3.2Å; Q1672-G2551 PolarHBondContact NE2-O 3.08Å; Q1672-E2552 VanDerWaalsContact NE2-C 3.32Å |
| 1673 | Q | 50.9 | Low | 61.7 | Low | 79 Ų | 79 | 41 Ų | 41 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | G | 310 helix | 44.5 | -64.2 | 106.1 | -39.8 | 149.5 | 52.1 | 0 | 0 | 115.9 | D1671 S1675 I1676 I1677 E1905 | D1671-Q1673 VanDerWaalsContact OD2-CB 3.31Å; D1671-Q1673 WeakPolarHBondContact OD2-CB 3.37Å; Q1673-S1675 PolarHBondContact O-N 3.13Å; Q1673-I1676 CarbonylContact O-C 3.32Å; Q1673-I1676 WeakPolarHBondContact O-CA 2.96Å; Q1673-I1676 PolarHBondContact O-N 3.33Å; Q1673-I1677 WeakPolarHBondContact O-CB 3.43Å; Q1673-I1677 WeakPolarHBondContact O-CG1 3.48Å; Q1673-I1677 PolarHBondContact O-N 2.67Å; Q1673-E1905 PolarHBondContact NE2-OE1 2.95Å; Q1673-E1905 PolarHBondContact NE2-OE2 2.7Å | |
| 1674 | L | 61.4 | Low | 61.6 | Low | 46 Ų | 46 | 38.3 Ų | 38.3 | 24% | 0.241 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -66.4 | 1.9 | -179.7 | -117.6 | -179.5 | 0 | 0 | 0 | 116.6 | D1671 Q1672 K1678 V1916 | D1671-L1674 HydrophobicContact CB-CB 4.48Å; D1671-L1674 WeakPolarHBondContact O-CB 2.96Å; D1671-L1674 PolarHBondContact O-N 2.9Å; D1671-L1674 WeakPolarHBondContact OD1-CD1 3.45Å; D1671-L1674 WeakPolarHBondContact OD1-CG 3.02Å; D1671-L1674 PolarHBondContact OD2-N 2.81Å; Q1672-L1674 PolarHBondContact O-N 2.58Å; L1674-K1678 VanDerWaalsContact O-CE 3.27Å; L1674-K1678 WeakPolarHBondContact O-CE 3.43Å; L1674-K1678 PolarHBondContact O-NZ 3.22Å; L1674-V1916 HydrophobicContact CB-CG2 4.13Å; L1674-V1916 HydrophobicContact CD1-CB 4.23Å; L1674-V1916 HydrophobicContact CD1-CG1 4.06Å; L1674-V1916 HydrophobicContact CD1-CG2 3.85Å; L1674-V1916 HydrophobicContact CD2-CG2 3.72Å; L1674-V1916 HydrophobicContact CG-CG2 4.09Å |
| 1675 | S | 71 | Confident | 61.8 | Low | 18 Ų | 18 | 36.3 Ų | 36.3 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -121.7 | -4.7 | 154 | -161 | 0 | 0 | 0 | 0 | 116 | L853 Q1672 Q1673 K1678 L1915 | L853-S1675 VanDerWaalsContact CD2-OG 3.3Å; L853-S1675 WeakPolarHBondContact CD2-OG 3.12Å; Q1672-S1675 PolarHBondContact O-N 2.79Å; Q1673-S1675 PolarHBondContact O-N 3.13Å; S1675-K1678 WeakPolarHBondContact O-CB 3.38Å; S1675-K1678 PolarHBondContact O-N 3.39Å; S1675-L1915 VanDerWaalsContact OG-CD2 3.3Å; S1675-L1915 WeakPolarHBondContact OG-CD2 3.42Å |
| 1676 | I | 63.6 | Low | 62 | Low | 95 Ų | 95 | 37.3 Ų | 37.3 | 49% | 0.487 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -37.2 | 161.8 | -60.6 | 177.9 | 0 | 0 | 0 | 109.2 | Q1672 Q1673 K1678 A1679 Q1680 | Q1672-I1676 VanDerWaalsContact OE1-CD1 3.23Å; Q1673-I1676 CarbonylContact O-C 3.32Å; Q1673-I1676 WeakPolarHBondContact O-CA 2.96Å; Q1673-I1676 PolarHBondContact O-N 3.33Å; I1676-K1678 PolarHBondContact O-N 2.79Å; I1676-K1678 VanDerWaalsContact O-N 3.12Å; I1676-A1679 WeakPolarHBondContact O-CA 3.41Å; I1676-A1679 WeakPolarHBondContact O-CB 3.29Å; I1676-A1679 PolarHBondContact O-N 3.41Å; I1676-Q1680 PolarHBondContact O-N 3.28Å |
| 1677 | I | 66.6 | Low | 62.2 | Low | 45 Ų | 45 | 37 Ų | 37 | 23% | 0.231 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57 | -24.7 | 166.8 | -69.8 | 169.1 | 0 | 0 | 0 | 111.4 | Q1673 A1679 Q1680 A1681 | Q1673-I1677 WeakPolarHBondContact O-CB 3.43Å; Q1673-I1677 WeakPolarHBondContact O-CG1 3.48Å; Q1673-I1677 PolarHBondContact O-N 2.67Å; I1677-A1679 VanDerWaalsContact C-N 3.25Å; I1677-A1679 PolarHBondContact O-N 2.96Å; I1677-Q1680 PolarHBondContact O-N 3.37Å; I1677-A1681 WeakPolarHBondContact O-CB 3.36Å; I1677-A1681 PolarHBondContact O-N 2.74Å |
| 1678 | K | 63.7 | Low | 62.5 | Low | 13 Ų | 13 | 36.3 Ų | 36.3 | 6% | 0.057 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -82.4 | 1.6 | 173.4 | -58.9 | -176.6 | -169.3 | 108.3 | 0 | 114.3 | L853 L1674 S1675 I1676 A1681 L1915 Q1919 | L853-K1678 HydrophobicContact CD1-CB 4.4Å; L853-K1678 HydrophobicContact CD2-CB 3.54Å; L853-K1678 HydrophobicContact CD2-CD 3.68Å; L853-K1678 HydrophobicContact CD2-CG 4.29Å; L853-K1678 HydrophobicContact CG-CB 3.87Å; L853-K1678 HydrophobicContact CG-CD 4.23Å; L1674-K1678 VanDerWaalsContact O-CE 3.27Å; L1674-K1678 WeakPolarHBondContact O-CE 3.43Å; L1674-K1678 PolarHBondContact O-NZ 3.22Å; S1675-K1678 WeakPolarHBondContact O-CB 3.38Å; S1675-K1678 PolarHBondContact O-N 3.39Å; I1676-K1678 PolarHBondContact O-N 2.79Å; I1676-K1678 VanDerWaalsContact O-N 3.12Å; K1678-A1681 CarbonylContact O-C 3.03Å; K1678-L1915 PolarHBondContact NZ-O 3.19Å; K1678-Q1919 VanDerWaalsContact CE-CD 3.49Å |
| 1679 | A | 60.8 | Low | 62.5 | Low | 31 Ų | 31 | 35.2 Ų | 35.2 | 26% | 0.256 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -106.5 | -24 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1676 I1677 K1682 | I1676-A1679 WeakPolarHBondContact O-CA 3.41Å; I1676-A1679 WeakPolarHBondContact O-CB 3.29Å; I1676-A1679 PolarHBondContact O-N 3.41Å; I1677-A1679 VanDerWaalsContact C-N 3.25Å; I1677-A1679 PolarHBondContact O-N 2.96Å; A1679-K1682 VanDerWaalsContact O-CA 3.32Å; A1679-K1682 WeakPolarHBondContact O-CA 3.2Å; A1679-K1682 VanDerWaalsContact O-CB 3.25Å; A1679-K1682 WeakPolarHBondContact O-CB 3.33Å; A1679-K1682 PolarHBondContact O-N 2.94Å |
| 1680 | Q | 50.6 | Low | 62.8 | Low | 101 Ų | 101 | 35.9 Ų | 35.9 | 47% | 0.472 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.5 | -50.2 | 158.8 | -73.8 | -174.6 | -26.8 | 0 | 0 | 110.2 | I1676 I1677 K1682 E1683 | I1676-Q1680 PolarHBondContact O-N 3.28Å; I1677-Q1680 PolarHBondContact O-N 3.37Å; Q1680-K1682 CarbonylContact O-C 3.55Å; Q1680-K1682 VanDerWaalsContact O-CA 3.3Å; Q1680-K1682 WeakPolarHBondContact O-CA 3.32Å; Q1680-K1682 PolarHBondContact O-N 3.16Å; Q1680-E1683 WeakPolarHBondContact O-CG 3.46Å; Q1680-E1683 PolarHBondContact O-N 3.04Å |
| 1681 | A | 58.7 | Low | 63 | Low | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.025 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 37.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 112 | R843 L851 I1677 K1678 | R843-A1681 WeakPolarHBondContact CD-O 3.25Å; R843-A1681 HydrophobicContact CG-CB 4.19Å; L851-A1681 CarbonylContact C-O 3.04Å; L851-A1681 HydrophobicContact CB-CB 3.72Å; L851-A1681 WeakPolarHBondContact CB-O 3.12Å; L851-A1681 HydrophobicContact CD1-CB 3.36Å; L851-A1681 HydrophobicContact CG-CB 4.11Å; I1677-A1681 WeakPolarHBondContact O-CB 3.36Å; I1677-A1681 PolarHBondContact O-N 2.74Å; K1678-A1681 CarbonylContact O-C 3.03Å |
| 1682 | K | 67.9 | Low | 63.3 | Low | 86 Ų | 86 | 35.9 Ų | 35.9 | 37% | 0.374 | 19% | 0.187 | S | C | . | . | -96.8 | 56 | 125.5 | -70.3 | -158.5 | 170.6 | -166.5 | 0 | 116.3 | R843 P850 A1679 Q1680 | R843-K1682 VanDerWaalsContact CD-C 3.44Å; R843-K1682 PolarHBondContact NH1-O 3.39Å; R843-K1682 VanDerWaalsContact NH2-CG 3.33Å; R843-K1682 PolarHBondContact NH2-O 3.15Å; P850-K1682 HydrophobicContact CB-CD 4.13Å; P850-K1682 HydrophobicContact CB-CG 4.07Å; A1679-K1682 VanDerWaalsContact O-CA 3.32Å; A1679-K1682 WeakPolarHBondContact O-CA 3.2Å; A1679-K1682 VanDerWaalsContact O-CB 3.25Å; A1679-K1682 WeakPolarHBondContact O-CB 3.33Å; A1679-K1682 PolarHBondContact O-N 2.94Å; Q1680-K1682 CarbonylContact O-C 3.55Å; Q1680-K1682 VanDerWaalsContact O-CA 3.3Å; Q1680-K1682 WeakPolarHBondContact O-CA 3.32Å; Q1680-K1682 PolarHBondContact O-N 3.16Å | |||
| 1683 | E | 58.2 | Low | 64.1 | Low | 22 Ų | 22 | 35.7 Ų | 35.7 | 10% | 0.103 | 19% | 0.186 | C | C | . | . | trans | -103.2 | 0 | 158.3 | -66.1 | 158.6 | 121.2 | 0 | 0 | 131.9 | V808 Q838 L839 E840 R841 R843 G848 Q1680 | V808-E1683 HydrophobicContact CG2-CB 4.23Å; V808-E1683 WeakPolarHBondContact CG2-O 3.3Å; Q838-E1683 HydrophobicContact CG-CG 4.4Å; L839-E1683 VanDerWaalsContact N-CG 3.33Å; L839-E1683 PolarHBondContact N-OE1 2.84Å; E840-E1683 WeakPolarHBondContact CA-OE1 3.42Å; E840-E1683 PolarHBondContact N-OE1 2.94Å; R841-E1683 WeakPolarHBondContact CA-OE2 3.45Å; R841-E1683 WeakPolarHBondContact CB-OE2 3.34Å; R841-E1683 PolarHBondContact N-OE1 2.81Å; R841-E1683 PolarHBondContact N-OE2 3.2Å; R843-E1683 HydrophobicContact CG-CB 4.13Å; R843-E1683 VanDerWaalsContact CZ-C 3.47Å; G848-E1683 CarbonylContact C-O 3.59Å; G848-E1683 CarbonylContact O-C 3.23Å; Q1680-E1683 WeakPolarHBondContact O-CG 3.46Å; Q1680-E1683 PolarHBondContact O-N 3.04Å | ||
| 1684 | A | 62.5 | Low | 65 | Low | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 134.5 | V808 T842 R843 S845 G846 V847 G848 G849 | V808-A1684 HydrophobicContact CG1-CB 3.7Å; T842-A1684 HydrophobicContact CG2-CB 4.11Å; R843-A1684 HydrophobicContact CB-CB 3.37Å; R843-A1684 VanDerWaalsContact CB-N 3.33Å; R843-A1684 VanDerWaalsContact CD-N 3.33Å; R843-A1684 HydrophobicContact CG-CB 4.07Å; S845-A1684 CarbonylContact C-O 3.05Å; S845-A1684 WeakPolarHBondContact CA-O 2.94Å; S845-A1684 WeakPolarHBondContact CB-O 3.43Å; S845-A1684 VanDerWaalsContact O-CB 3.28Å; S845-A1684 WeakPolarHBondContact O-CB 3.32Å; S845-A1684 VanDerWaalsContact O-O 3.13Å; G846-A1684 CarbonylContact C-O 3.15Å; G846-A1684 WeakPolarHBondContact CA-O 3.39Å; G846-A1684 PolarHBondContact N-O 3.11Å; V847-A1684 CarbonylContact C-O 2.88Å; V847-A1684 PolarHBondContact N-O 3.38Å; G848-A1684 VanDerWaalsContact C-N 3.27Å; G848-A1684 WeakPolarHBondContact CA-O 3.3Å; G848-A1684 PolarHBondContact N-O 3.24Å; G849-A1684 VanDerWaalsContact N-C 3.26Å; G849-A1684 VanDerWaalsContact N-CA 3.34Å; G849-A1684 CarbonylContact O-C 3.33Å; G849-A1684 WeakPolarHBondContact O-CA 3.18Å; G849-A1684 PolarHBondContact O-N 3.3Å | |
| 1685 | V | 66 | Low | 65.3 | Low | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | 0 | -18.7 | 0 | -143.8 | 0 | 0 | 0 | 0 | 128.5 | H386 Q672 D673 P686 S845 G846 V847 G849 E1689 | H386-V1685 WeakPolarHBondContact CE1-CG1 3.2Å; H386-V1685 WeakPolarHBondContact ND1-CG1 3.37Å; Q672-V1685 VanDerWaalsContact O-CG1 3.29Å; Q672-V1685 WeakPolarHBondContact O-CG1 3.45Å; Q672-V1685 WeakPolarHBondContact O-CG2 3.36Å; D673-V1685 WeakPolarHBondContact O-CG2 3.34Å; P686-V1685 VanDerWaalsContact CD-CG2 3.41Å; P686-V1685 HydrophobicContact CG-CG1 4.2Å; P686-V1685 HydrophobicContact CG-CG2 4.45Å; S845-V1685 VanDerWaalsContact CB-N 3.34Å; S845-V1685 WeakPolarHBondContact OG-CG2 3.11Å; G846-V1685 WeakPolarHBondContact O-CA 3.35Å; G846-V1685 WeakPolarHBondContact O-CB 2.88Å; G846-V1685 VanDerWaalsContact O-CG1 3.27Å; G846-V1685 WeakPolarHBondContact O-CG1 3.2Å; G846-V1685 WeakPolarHBondContact O-CG2 3.34Å; G846-V1685 PolarHBondContact O-N 2.83Å; V847-V1685 CarbonylContact C-O 3.6Å; V847-V1685 HydrophobicContact CB-CG1 4.44Å; V847-V1685 CarbonylContact O-C 3.54Å; V847-V1685 VanDerWaalsContact O-CA 3.22Å; V847-V1685 WeakPolarHBondContact O-CA 3.27Å; G849-V1685 VanDerWaalsContact N-CA 3.31Å; G849-V1685 PolarHBondContact O-N 3.16Å; V1685-E1689 WeakPolarHBondContact O-CG 3.19Å; V1685-E1689 VanDerWaalsContact O-OE2 3.14Å | |
| 1686 | S | 69 | Low | 65 | Low | 21 Ų | 21 | 38.9 Ų | 38.9 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -77.5 | -76.8 | 153.1 | 156.1 | 0 | 0 | 0 | 0 | 115.9 | N390 H805 H806 Q838 V847 G848 Y1688 E1689 | N390-S1686 WeakPolarHBondContact O-CB 3.45Å; N390-S1686 PolarHBondContact O-OG 2.75Å; H805-S1686 CarbonylContact C-O 3.32Å; H805-S1686 CarbonylContact O-C 2.97Å; H806-S1686 PolarHBondContact N-O 3.29Å; H806-S1686 VanDerWaalsContact N-O 3.07Å; Q838-S1686 PolarHBondContact NE2-OG 2.76Å; Q838-S1686 VanDerWaalsContact NE2-OG 3.1Å; V847-S1686 CarbonylContact O-C 2.97Å; V847-S1686 VanDerWaalsContact O-C 3.3Å; V847-S1686 PolarHBondContact O-N 2.83Å; G848-S1686 VanDerWaalsContact C-CA 3.43Å; G848-S1686 CarbonylContact O-C 3.54Å; G848-S1686 WeakPolarHBondContact O-CA 3.27Å; G848-S1686 PolarHBondContact O-N 2.73Å; S1686-Y1688 VanDerWaalsContact C-N 3.33Å; S1686-Y1688 PolarHBondContact O-N 2.93Å; S1686-E1689 WeakPolarHBondContact O-CB 3.37Å; S1686-E1689 PolarHBondContact O-N 2.75Å |
| 1687 | K | 67 | Low | 65.4 | Low | 16 Ų | 16 | 34.5 Ų | 34.5 | 7% | 0.07 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | -32.8 | 20.5 | 156.6 | -105.8 | -133 | 162.9 | -164.2 | 0 | 125.3 | H806 D807 V808 Q838 L839 G848 | H806-K1687 CarbonylContact C-O 3.15Å; H806-K1687 HydrophobicContact CB-CB 4.39Å; H806-K1687 HydrophobicContact CB-CG 3.51Å; H806-K1687 VanDerWaalsContact N-CA 3.3Å; H806-K1687 CarbonylContact O-C 3.37Å; H806-K1687 WeakPolarHBondContact O-CA 3.35Å; D807-K1687 VanDerWaalsContact C-CD 3.47Å; D807-K1687 VanDerWaalsContact C-NZ 3.35Å; D807-K1687 CarbonylContact C-O 3.56Å; D807-K1687 WeakPolarHBondContact CA-O 3.02Å; D807-K1687 WeakPolarHBondContact O-CE 3.11Å; D807-K1687 PolarHBondContact O-NZ 3.32Å; D807-K1687 WeakPolarHBondContact OD2-CE 3.08Å; D807-K1687 IonicContact OD2-NZ 2.7Å; D807-K1687 PolarHBondContact OD2-NZ 3.44Å; V808-K1687 HydrophobicContact CB-CB 4.06Å; V808-K1687 HydrophobicContact CB-CD 4.07Å; V808-K1687 VanDerWaalsContact CB-O 3.26Å; V808-K1687 WeakPolarHBondContact CB-O 3.4Å; V808-K1687 HydrophobicContact CG2-CB 3.89Å; V808-K1687 HydrophobicContact CG2-CD 3.69Å; V808-K1687 HydrophobicContact CG2-CG 4.38Å; V808-K1687 PolarHBondContact N-O 2.71Å; Q838-K1687 HydrophobicContact CG-CB 4.36Å; Q838-K1687 HydrophobicContact CG-CG 4.29Å; L839-K1687 HydrophobicContact CB-CD 3.81Å; L839-K1687 HydrophobicContact CD2-CD 3.64Å; L839-K1687 HydrophobicContact CD2-CG 3.79Å; L839-K1687 HydrophobicContact CG-CD 4.26Å; L839-K1687 WeakPolarHBondContact O-CD 3.32Å; L839-K1687 WeakPolarHBondContact O-CE 2.8Å; L839-K1687 PolarHBondContact O-NZ 3.41Å; G848-K1687 WeakPolarHBondContact O-CA 3.32Å; G848-K1687 WeakPolarHBondContact O-CB 3.47Å; G848-K1687 PolarHBondContact O-N 3.11Å |
| 1688 | Y | 66.9 | Low | 65.4 | Low | 42 Ų | 42 | 33.6 Ų | 33.6 | 17% | 0.165 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -148.5 | 5.5 | 154.1 | 127.3 | 42.1 | 0 | 0 | 0 | 108.9 | K688 H806 V847 S1686 E1690 A1691 K1692 | K688-Y1688 HydrophobicContact CB-CE2 4.2Å; K688-Y1688 HydrophobicContact CD-CD2 4.25Å; K688-Y1688 HydrophobicContact CD-CE2 3.5Å; K688-Y1688 VanDerWaalsContact CD-CE2 3.5Å; K688-Y1688 HydrophobicContact CG-CE2 3.66Å; H806-Y1688 VanDerWaalsContact O-CA 3.24Å; H806-Y1688 WeakPolarHBondContact O-CA 3.4Å; H806-Y1688 PolarHBondContact O-N 2.69Å; V847-Y1688 VanDerWaalsContact C-C 3.43Å; V847-Y1688 VanDerWaalsContact CA-CD2 3.48Å; V847-Y1688 HydrophobicContact CB-CD1 4.16Å; V847-Y1688 HydrophobicContact CB-CE1 4.36Å; V847-Y1688 HydrophobicContact CB-CG 4.23Å; V847-Y1688 VanDerWaalsContact CG1-C 3.41Å; V847-Y1688 HydrophobicContact CG1-CD1 3.75Å; V847-Y1688 HydrophobicContact CG1-CE1 4.03Å; V847-Y1688 HydrophobicContact CG1-CG 4.24Å; V847-Y1688 WeakPolarHBondContact CG1-O 3Å; V847-Y1688 HydrophobicContact CG2-CD1 4.37Å; V847-Y1688 HydrophobicContact CG2-CE1 4.06Å; V847-Y1688 HydrophobicContact CG2-CE2 4.45Å; V847-Y1688 CarbonylContact O-C 2.88Å; V847-Y1688 WeakPolarHBondContact O-CA 3.16Å; V847-Y1688 PolarHBondContact O-N 2.71Å; S1686-Y1688 VanDerWaalsContact C-N 3.33Å; S1686-Y1688 PolarHBondContact O-N 2.93Å; Y1688-E1690 PolarHBondContact O-N 2.73Å; Y1688-A1691 HydrophobicContact CD1-CB 3.65Å; Y1688-A1691 HydrophobicContact CG-CB 4.3Å; Y1688-A1691 CarbonylContact O-C 3.54Å; Y1688-A1691 WeakPolarHBondContact O-CA 3.3Å; Y1688-A1691 PolarHBondContact O-N 3.33Å; Y1688-K1692 PolarHBondContact O-N 3.21Å |
| 1689 | E | 66.8 | Low | 65.5 | Low | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67 | -16.1 | 163.1 | -80.8 | 175.3 | 176 | 0 | 0 | 106.6 | H386 F388 I389 N803 L804 V847 V1685 S1686 K1692 R1693 | H386-E1689 IonicContact CE1-OE1 2.7Å; H386-E1689 PolarHBondContact CE1-OE1 2.82Å; H386-E1689 IonicContact ND1-OE1 3.47Å; H386-E1689 PolarHBondContact ND1-OE1 3.36Å; F388-E1689 VanDerWaalsContact C-OE2 3.29Å; I389-E1689 PolarHBondContact N-OE2 3.25Å; N803-E1689 CarbonylContact C-O 2.91Å; L804-E1689 WeakPolarHBondContact CA-O 2.84Å; L804-E1689 PolarHBondContact N-O 3.33Å; V847-E1689 VanDerWaalsContact C-N 3.34Å; V847-E1689 HydrophobicContact CB-CG 3.7Å; V847-E1689 HydrophobicContact CG1-CB 4.12Å; V847-E1689 HydrophobicContact CG1-CG 3.32Å; V847-E1689 VanDerWaalsContact O-CG 3.3Å; V847-E1689 WeakPolarHBondContact O-CG 2.67Å; V847-E1689 PolarHBondContact O-N 3.35Å; V1685-E1689 WeakPolarHBondContact O-CG 3.19Å; V1685-E1689 VanDerWaalsContact O-OE2 3.14Å; S1686-E1689 WeakPolarHBondContact O-CB 3.37Å; S1686-E1689 PolarHBondContact O-N 2.75Å; E1689-K1692 CarbonylContact O-C 3.58Å; E1689-K1692 PolarHBondContact O-N 2.75Å; E1689-R1693 PolarHBondContact O-N 2.69Å |
| 1690 | E | 61.4 | Low | 65.9 | Low | 13 Ų | 13 | 39.1 Ų | 39.1 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.8 | -50.1 | 156.4 | -157 | 106.5 | -72.3 | 0 | 0 | 113.7 | L804 H805 H806 D807 Y1688 K1692 R1693 E1694 | L804-E1690 VanDerWaalsContact CB-OE1 3.27Å; L804-E1690 WeakPolarHBondContact CB-OE1 3.23Å; L804-E1690 VanDerWaalsContact CD1-OE1 3.24Å; L804-E1690 WeakPolarHBondContact CD1-OE1 3.35Å; L804-E1690 HydrophobicContact CD2-CB 4.31Å; L804-E1690 VanDerWaalsContact CD2-CD 3.46Å; L804-E1690 HydrophobicContact CD2-CG 3.55Å; L804-E1690 WeakPolarHBondContact CD2-OE1 3.31Å; L804-E1690 WeakPolarHBondContact CG-OE1 3.21Å; H805-E1690 VanDerWaalsContact CA-OE1 3.3Å; H805-E1690 WeakPolarHBondContact CA-OE1 3.31Å; H805-E1690 IonicContact CE1-OE1 3.9Å; H805-E1690 PolarHBondContact CE1-OE1 2.77Å; H805-E1690 IonicContact CE1-OE2 3.73Å; H805-E1690 IonicContact CG-OE1 2.63Å; H805-E1690 VanDerWaalsContact CG-OE1 3.27Å; H805-E1690 VanDerWaalsContact ND1-CD 3.31Å; H805-E1690 IonicContact ND1-OE1 2.8Å; H805-E1690 PolarHBondContact ND1-OE1 2.83Å; H805-E1690 IonicContact ND1-OE2 3.82Å; H805-E1690 PolarHBondContact ND1-OE2 2.63Å; H806-E1690 WeakPolarHBondContact CA-OE2 3.3Å; H806-E1690 IonicContact CE1-OE1 3.55Å; H806-E1690 CovalentContact CE1-OE2 1.8Å; H806-E1690 IonicContact CE1-OE2 3.34Å; H806-E1690 PolarHBondContact CE1-OE2 3.32Å; H806-E1690 IonicContact CG-OE2 2.75Å; H806-E1690 IonicContact ND1-OE2 3.63Å; H806-E1690 PolarHBondContact ND1-OE2 2.87Å; H806-E1690 WeakPolarHBondContact O-CB 3.42Å; H806-E1690 PolarHBondContact O-N 3.46Å; D807-E1690 HydrophobicContact CB-CB 4.38Å; D807-E1690 HydrophobicContact CB-CG 4.26Å; Y1688-E1690 PolarHBondContact O-N 2.73Å; E1690-K1692 PolarHBondContact O-N 3.32Å; E1690-R1693 CarbonylContact O-C 3.54Å; E1690-R1693 WeakPolarHBondContact O-CA 2.92Å; E1690-R1693 VanDerWaalsContact O-CB 3.28Å; E1690-R1693 WeakPolarHBondContact O-CB 3.36Å; E1690-R1693 PolarHBondContact O-N 3.46Å; E1690-E1694 PolarHBondContact O-N 2.74Å |
| 1691 | A | 69.7 | Low | 66.6 | Low | 53 Ų | 53 | 37.2 Ų | 37.2 | 44% | 0.438 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -68.4 | -17 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1688 E1694 | Y1688-A1691 HydrophobicContact CD1-CB 3.65Å; Y1688-A1691 HydrophobicContact CG-CB 4.3Å; Y1688-A1691 CarbonylContact O-C 3.54Å; Y1688-A1691 WeakPolarHBondContact O-CA 3.3Å; Y1688-A1691 PolarHBondContact O-N 3.33Å; A1691-E1694 PolarHBondContact O-N 3.2Å |
| 1692 | K | 70.4 | Confident | 66.5 | Low | 58 Ų | 58 | 39.1 Ų | 39.1 | 25% | 0.252 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -74.2 | -41.6 | 158.4 | -159.4 | 88.2 | -177.8 | -160.4 | 0 | 110.6 | H386 F388 K802 N803 V847 Y1688 E1689 E1690 E1694 Y1695 | H386-K1692 PolarHBondContact O-NZ 2.91Å; F388-K1692 HydrophobicContact CD2-CG 4.06Å; K802-K1692 CarbonylContact C-O 3.56Å; N803-K1692 PolarHBondContact N-O 2.81Å; V847-K1692 HydrophobicContact CG1-CB 3.82Å; Y1688-K1692 PolarHBondContact O-N 3.21Å; E1689-K1692 CarbonylContact O-C 3.58Å; E1689-K1692 PolarHBondContact O-N 2.75Å; E1690-K1692 PolarHBondContact O-N 3.32Å; K1692-E1694 PolarHBondContact O-N 2.71Å; K1692-Y1695 PolarHBondContact O-N 2.99Å |
| 1693 | R | 72.3 | Confident | 66.4 | Low | 8 Ų | 8 | 39.2 Ų | 39.2 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 18.9 | 158.6 | -140.5 | 109.8 | 47.6 | -173.1 | -33.9 | 113.4 | R801 K802 N803 L804 N884 S885 E886 E1689 E1690 | R801-R1693 CarbonylContact C-O 3.11Å; R801-R1693 WeakPolarHBondContact CA-O 3.25Å; R801-R1693 HydrophobicContact CB-CG 4.43Å; R801-R1693 WeakPolarHBondContact CB-O 3.22Å; R801-R1693 WeakPolarHBondContact CD-O 3.19Å; K802-R1693 VanDerWaalsContact N-C 3.28Å; K802-R1693 VanDerWaalsContact N-CA 3.35Å; K802-R1693 PolarHBondContact N-O 2.73Å; N803-R1693 VanDerWaalsContact C-CA 3.41Å; N803-R1693 VanDerWaalsContact CA-CB 3.43Å; N803-R1693 PolarHBondContact O-N 2.75Å; L804-R1693 HydrophobicContact CB-CB 3.52Å; L804-R1693 HydrophobicContact CB-CG 3.59Å; L804-R1693 HydrophobicContact CD2-CB 3.24Å; L804-R1693 HydrophobicContact CD2-CG 3.39Å; L804-R1693 HydrophobicContact CG-CB 3.45Å; L804-R1693 VanDerWaalsContact CG-CB 3.45Å; L804-R1693 VanDerWaalsContact CG-CD 3.42Å; L804-R1693 HydrophobicContact CG-CG 3.2Å; L804-R1693 PolarHBondContact O-NH2 3.39Å; N884-R1693 PolarHBondContact ND2-NH1 3.06Å; N884-R1693 VanDerWaalsContact ND2-NH1 3.18Å; N884-R1693 WeakPolarHBondContact O-CD 2.95Å; N884-R1693 WeakPolarHBondContact O-CG 3.48Å; N884-R1693 VanDerWaalsContact OD1-CD 3.22Å; N884-R1693 WeakPolarHBondContact OD1-CD 2.91Å; N884-R1693 VanDerWaalsContact OD1-CZ 3.3Å; N884-R1693 PolarHBondContact OD1-NE 2.69Å; N884-R1693 PolarHBondContact OD1-NH1 2.68Å; S885-R1693 WeakPolarHBondContact O-CD 2.83Å; S885-R1693 PolarHBondContact O-NE 2.93Å; S885-R1693 PolarHBondContact O-NH1 3.31Å; S885-R1693 PolarHBondContact O-NH2 3.26Å; E886-R1693 IonicContact OE1-CZ 2.72Å; E886-R1693 IonicContact OE1-NH1 3.14Å; E886-R1693 PolarHBondContact OE1-NH1 2.97Å; E886-R1693 IonicContact OE1-NH2 3.61Å; E886-R1693 PolarHBondContact OE1-NH2 2.77Å; E1689-R1693 PolarHBondContact O-N 2.69Å; E1690-R1693 CarbonylContact O-C 3.54Å; E1690-R1693 WeakPolarHBondContact O-CA 2.92Å; E1690-R1693 VanDerWaalsContact O-CB 3.28Å; E1690-R1693 WeakPolarHBondContact O-CB 3.36Å; E1690-R1693 PolarHBondContact O-N 3.46Å |
| 1694 | E | 69.4 | Low | 66.9 | Low | 86 Ų | 86 | 43.8 Ų | 43.8 | 40% | 0.402 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.8 | 31.4 | 159.4 | -59.5 | -158.5 | 145.3 | 0 | 0 | 113.3 | S800 R801 E1690 A1691 K1692 | S800-E1694 WeakPolarHBondContact CB-O 2.98Å; S800-E1694 PolarHBondContact N-O 2.86Å; S800-E1694 CarbonylContact O-C 3.36Å; S800-E1694 WeakPolarHBondContact O-CA 3.07Å; S800-E1694 WeakPolarHBondContact O-CB 3.43Å; S800-E1694 VanDerWaalsContact O-CG 3.24Å; S800-E1694 WeakPolarHBondContact O-CG 3.2Å; R801-E1694 IonicContact CZ-OE1 2.71Å; R801-E1694 IonicContact NE-OE1 3.25Å; R801-E1694 PolarHBondContact NE-OE1 2.69Å; R801-E1694 IonicContact NH2-OE1 3.98Å; R801-E1694 PolarHBondContact NH2-OE1 2.95Å; R801-E1694 CarbonylContact O-C 3.6Å; E1690-E1694 PolarHBondContact O-N 2.74Å; A1691-E1694 PolarHBondContact O-N 3.2Å; K1692-E1694 PolarHBondContact O-N 2.71Å |
| 1695 | Y | 69.1 | Low | 67.1 | Low | 88 Ų | 88 | 48.3 Ų | 48.3 | 35% | 0.345 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -120 | -61.2 | 175.8 | -156.3 | -103.1 | 0 | 0 | 0 | 121.9 | D798 S800 R801 K1692 N1697 K1699 | D798-Y1695 VanDerWaalsContact O-CD2 3.25Å; D798-Y1695 WeakPolarHBondContact O-CD2 3.37Å; D798-Y1695 WeakPolarHBondContact O-CE2 3.42Å; S800-Y1695 WeakPolarHBondContact CB-O 3.39Å; S800-Y1695 PolarHBondContact OG-O 3.06Å; R801-Y1695 CarbonylContact O-C 3.6Å; R801-Y1695 WeakPolarHBondContact O-CA 3.27Å; R801-Y1695 PolarHBondContact O-N 2.63Å; K1692-Y1695 PolarHBondContact O-N 2.99Å; Y1695-N1697 PolarHBondContact O-N 2.71Å; Y1695-K1699 HydrophobicContact CE1-CD 4.47Å |
| 1696 | D | 64.2 | Low | 67.5 | Low | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.193 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 1.9 | -170.4 | -56 | -64.4 | 0 | 0 | 0 | 117.1 | F388 R801 K802 K1699 S1700 | F388-D1696 WeakPolarHBondContact CE2-OD2 3.19Å; R801-D1696 PolarHBondContact O-N 2.96Å; K802-D1696 HydrophobicContact CB-CB 3.56Å; K802-D1696 HydrophobicContact CD-CB 4.39Å; K802-D1696 HydrophobicContact CG-CB 4.49Å; K802-D1696 PolarHBondContact O-N 3.02Å; D1696-K1699 HydrophobicContact CB-CD 4.48Å; D1696-K1699 IonicContact OD1-NZ 3.56Å; D1696-K1699 PolarHBondContact OD1-NZ 2.85Å; D1696-S1700 PolarHBondContact O-OG 2.91Å |
| 1697 | N | 71.6 | Confident | 67.5 | Low | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.011 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -52 | -171.2 | 176.6 | 89.6 | 0 | 0 | 0 | 115.3 | R801 K802 N883 Y1695 K1699 S1700 Q1701 | R801-N1697 VanDerWaalsContact CA-CB 3.42Å; R801-N1697 HydrophobicContact CB-CB 3.68Å; R801-N1697 VanDerWaalsContact N-CB 3.29Å; R801-N1697 WeakPolarHBondContact O-CB 2.89Å; R801-N1697 PolarHBondContact O-N 3.25Å; K802-N1697 HydrophobicContact CB-CB 4.14Å; K802-N1697 HydrophobicContact CD-CB 3.73Å; K802-N1697 WeakPolarHBondContact CE-OD1 3.17Å; K802-N1697 HydrophobicContact CG-CB 3.74Å; K802-N1697 PolarHBondContact NZ-OD1 2.99Å; N883-N1697 WeakPolarHBondContact CA-OD1 3.16Å; N883-N1697 VanDerWaalsContact CB-CG 3.43Å; N883-N1697 WeakPolarHBondContact CB-ND2 3.27Å; N883-N1697 WeakPolarHBondContact CB-OD1 3.46Å; N883-N1697 VanDerWaalsContact OD1-CG 3.24Å; N883-N1697 PolarHBondContact OD1-ND2 2.76Å; N883-N1697 PolarHBondContact OD1-OD1 2.84Å; Y1695-N1697 PolarHBondContact O-N 2.71Å; N1697-K1699 PolarHBondContact O-N 3.34Å; N1697-S1700 WeakPolarHBondContact O-CA 3.46Å; N1697-S1700 WeakPolarHBondContact O-CB 3.17Å; N1697-S1700 PolarHBondContact O-N 3.21Å; N1697-Q1701 PolarHBondContact ND2-NE2 3.35Å; N1697-Q1701 PolarHBondContact O-N 2.69Å; N1697-Q1701 VanDerWaalsContact O-N 3.14Å |
| 1698 | V | 67.8 | Low | 67.5 | Low | 27 Ų | 27 | 62.6 Ų | 62.6 | 16% | 0.164 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.3 | -20.3 | 175.3 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | D798 H799 S800 S1700 Q1701 L1702 | D798-V1698 HydrophobicContact CB-CB 3.86Å; D798-V1698 HydrophobicContact CB-CG1 4.05Å; D798-V1698 WeakPolarHBondContact OD1-CG1 3.27Å; D798-V1698 VanDerWaalsContact OD2-C 3.28Å; H799-V1698 VanDerWaalsContact O-CB 3.23Å; H799-V1698 WeakPolarHBondContact O-CB 3.31Å; H799-V1698 VanDerWaalsContact O-CG2 3.25Å; H799-V1698 WeakPolarHBondContact O-CG2 3.49Å; S800-V1698 VanDerWaalsContact CB-N 3.27Å; S800-V1698 WeakPolarHBondContact OG-CA 3.12Å; S800-V1698 VanDerWaalsContact OG-CB 3.31Å; S800-V1698 WeakPolarHBondContact OG-CB 3.4Å; S800-V1698 PolarHBondContact OG-N 2.66Å; V1698-S1700 PolarHBondContact O-N 2.61Å; V1698-Q1701 HydrophobicContact CG1-CB 4.21Å; V1698-Q1701 HydrophobicContact CG2-CG 4.45Å; V1698-Q1701 CarbonylContact O-C 3.54Å; V1698-Q1701 WeakPolarHBondContact O-CA 3.35Å; V1698-Q1701 WeakPolarHBondContact O-CB 3.16Å; V1698-Q1701 PolarHBondContact O-N 2.65Å; V1698-L1702 WeakPolarHBondContact O-CB 3.24Å; V1698-L1702 PolarHBondContact O-N 2.71Å |
| 1699 | K | 66.2 | Low | 67.5 | Low | 96 Ų | 96 | 67.2 Ų | 67.2 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.9 | -29.2 | 162.3 | -176 | 178.3 | 169.6 | -170.3 | 0 | 113.3 | D798 Y1695 D1696 N1697 | D798-K1699 HydrophobicContact CB-CB 4.07Å; D798-K1699 WeakPolarHBondContact OD2-CA 3.44Å; D798-K1699 PolarHBondContact OD2-N 2.74Å; Y1695-K1699 HydrophobicContact CE1-CD 4.47Å; D1696-K1699 HydrophobicContact CB-CD 4.48Å; D1696-K1699 IonicContact OD1-NZ 3.56Å; D1696-K1699 PolarHBondContact OD1-NZ 2.85Å; N1697-K1699 PolarHBondContact O-N 3.34Å |
| 1700 | S | 67.9 | Low | 67.7 | Low | 64 Ų | 64 | 71.2 Ų | 71.2 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -80.2 | -35.6 | 167.3 | -48.4 | 0 | 0 | 0 | 0 | 112.7 | D1696 N1697 V1698 | D1696-S1700 PolarHBondContact O-OG 2.91Å; N1697-S1700 WeakPolarHBondContact O-CA 3.46Å; N1697-S1700 WeakPolarHBondContact O-CB 3.17Å; N1697-S1700 PolarHBondContact O-N 3.21Å; V1698-S1700 PolarHBondContact O-N 2.61Å |
| 1701 | Q | 66.2 | Low | 68.2 | Low | 61 Ų | 61 | 75.7 Ų | 75.7 | 29% | 0.285 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.7 | -35.1 | 176.9 | -60.8 | -179.4 | 7 | 0 | 0 | 112.9 | N883 N1697 V1698 D1703 M1704 I1705 | N883-Q1701 PolarHBondContact ND2-NE2 3.1Å; N883-Q1701 PolarHBondContact OD1-NE2 2.73Å; N1697-Q1701 PolarHBondContact ND2-NE2 3.35Å; N1697-Q1701 PolarHBondContact O-N 2.69Å; N1697-Q1701 VanDerWaalsContact O-N 3.14Å; V1698-Q1701 HydrophobicContact CG1-CB 4.21Å; V1698-Q1701 HydrophobicContact CG2-CG 4.45Å; V1698-Q1701 CarbonylContact O-C 3.54Å; V1698-Q1701 WeakPolarHBondContact O-CA 3.35Å; V1698-Q1701 WeakPolarHBondContact O-CB 3.16Å; V1698-Q1701 PolarHBondContact O-N 2.65Å; Q1701-D1703 VanDerWaalsContact C-N 3.31Å; Q1701-D1703 PolarHBondContact O-N 3.29Å; Q1701-M1704 WeakPolarHBondContact O-CA 3.26Å; Q1701-M1704 VanDerWaalsContact O-CB 3.24Å; Q1701-M1704 WeakPolarHBondContact O-CB 3.13Å; Q1701-M1704 PolarHBondContact O-N 2.59Å; Q1701-M1704 VanDerWaalsContact O-N 3.07Å; Q1701-I1705 PolarHBondContact O-N 2.69Å; Q1701-I1705 VanDerWaalsContact O-N 3.12Å |
| 1702 | L | 56.9 | Low | 67.9 | Low | 42 Ų | 42 | 76 Ų | 76 | 22% | 0.22 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65 | -35.2 | 179.7 | -174.6 | 92.6 | 0 | 0 | 0 | 111.9 | V797 D798 V1698 M1704 I1705 R1706 | V797-L1702 HydrophobicContact CG1-CD1 4.31Å; V797-L1702 HydrophobicContact CG1-CD2 3.55Å; V797-L1702 HydrophobicContact CG1-CG 4.48Å; D798-L1702 WeakPolarHBondContact OD2-CB 2.97Å; D798-L1702 WeakPolarHBondContact OD2-CD2 3.44Å; V1698-L1702 WeakPolarHBondContact O-CB 3.24Å; V1698-L1702 PolarHBondContact O-N 2.71Å; L1702-M1704 VanDerWaalsContact C-N 3.31Å; L1702-I1705 PolarHBondContact O-N 2.72Å; L1702-R1706 WeakPolarHBondContact O-CG 3.24Å; L1702-R1706 PolarHBondContact O-N 3.12Å |
| 1703 | D | 65 | Low | 67.7 | Low | 88 Ų | 88 | 76.5 Ų | 76.5 | 47% | 0.471 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.4 | -29.1 | 173.3 | -78.4 | -19.1 | 0 | 0 | 0 | 112 | Q1701 R1706 | Q1701-D1703 VanDerWaalsContact C-N 3.31Å; Q1701-D1703 PolarHBondContact O-N 3.29Å; D1703-R1706 IonicContact OD1-CZ 2.69Å; D1703-R1706 IonicContact OD1-NE 3.5Å; D1703-R1706 IonicContact OD1-NH1 2.66Å; D1703-R1706 PolarHBondContact OD1-NH1 3.4Å; D1703-R1706 IonicContact OD1-NH2 2.65Å; D1703-R1706 PolarHBondContact OD1-NH2 2.79Å |
| 1704 | M | 68.7 | Low | 67.5 | Low | 118 Ų | 118 | 81.9 Ų | 81.9 | 58% | 0.581 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.8 | -47.6 | 171.1 | -171.2 | 175.9 | 69.3 | 0 | 0 | 111.4 | Q1701 L1702 R1706 S1707 | Q1701-M1704 WeakPolarHBondContact O-CA 3.26Å; Q1701-M1704 VanDerWaalsContact O-CB 3.24Å; Q1701-M1704 WeakPolarHBondContact O-CB 3.13Å; Q1701-M1704 PolarHBondContact O-N 2.59Å; Q1701-M1704 VanDerWaalsContact O-N 3.07Å; L1702-M1704 VanDerWaalsContact C-N 3.31Å; M1704-R1706 PolarHBondContact O-N 2.74Å; M1704-S1707 WeakPolarHBondContact O-CB 3.19Å; M1704-S1707 PolarHBondContact O-N 2.79Å; M1704-S1707 PolarHBondContact O-OG 2.63Å |
| 1705 | I | 66.6 | Low | 67.4 | Low | 96 Ų | 96 | 81.6 Ų | 81.6 | 49% | 0.492 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.2 | -32.8 | 179.5 | -64.8 | 167.8 | 0 | 0 | 0 | 111.9 | Q1701 L1702 S1707 E1708 K1709 | Q1701-I1705 PolarHBondContact O-N 2.69Å; Q1701-I1705 VanDerWaalsContact O-N 3.12Å; L1702-I1705 PolarHBondContact O-N 2.72Å; I1705-S1707 VanDerWaalsContact C-N 3.25Å; I1705-S1707 PolarHBondContact O-N 2.95Å; I1705-E1708 PolarHBondContact O-N 3.25Å; I1705-K1709 PolarHBondContact O-N 2.49Å |
| 1706 | R | 73.4 | Confident | 67.2 | Low | 134 Ų | 134 | 81.2 Ų | 81.2 | 51% | 0.506 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.6 | -31 | 175 | -69.1 | 174.8 | -165.7 | 163 | 14.3 | 113 | L1702 D1703 M1704 | L1702-R1706 WeakPolarHBondContact O-CG 3.24Å; L1702-R1706 PolarHBondContact O-N 3.12Å; D1703-R1706 IonicContact OD1-CZ 2.69Å; D1703-R1706 IonicContact OD1-NE 3.5Å; D1703-R1706 IonicContact OD1-NH1 2.66Å; D1703-R1706 PolarHBondContact OD1-NH1 3.4Å; D1703-R1706 IonicContact OD1-NH2 2.65Å; D1703-R1706 PolarHBondContact OD1-NH2 2.79Å; M1704-R1706 PolarHBondContact O-N 2.74Å |
| 1707 | S | 69 | Low | 67.5 | Low | 77 Ų | 77 | 83.7 Ų | 83.7 | 54% | 0.538 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.4 | -39.1 | 178.8 | 74.9 | 0 | 0 | 0 | 0 | 112.2 | M1704 I1705 K1709 S1710 | M1704-S1707 WeakPolarHBondContact O-CB 3.19Å; M1704-S1707 PolarHBondContact O-N 2.79Å; M1704-S1707 PolarHBondContact O-OG 2.63Å; I1705-S1707 VanDerWaalsContact C-N 3.25Å; I1705-S1707 PolarHBondContact O-N 2.95Å; S1707-K1709 VanDerWaalsContact C-N 3.33Å; S1707-K1709 PolarHBondContact O-N 3.11Å; S1707-S1710 WeakPolarHBondContact O-CB 3.47Å; S1707-S1710 PolarHBondContact O-N 3.03Å |
| 1708 | E | 68.9 | Low | 67.2 | Low | 126 Ų | 126 | 88.2 Ų | 88.2 | 59% | 0.589 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.1 | -37.8 | 178.5 | -59.8 | -172.6 | 126.5 | 0 | 0 | 112 | I1705 S1710 L1711 A1712 | I1705-E1708 PolarHBondContact O-N 3.25Å; E1708-S1710 VanDerWaalsContact C-N 3.3Å; E1708-S1710 PolarHBondContact O-N 3.43Å; E1708-L1711 WeakPolarHBondContact O-CB 3.21Å; E1708-L1711 PolarHBondContact O-N 2.63Å; E1708-L1711 VanDerWaalsContact O-N 3.12Å; E1708-A1712 PolarHBondContact O-N 2.86Å |
| 1709 | K | 66.3 | Low | 67 | Low | 139 Ų | 139 | 91.6 Ų | 91.6 | 60% | 0.604 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -56.8 | -43 | 174.9 | -172.2 | -170.5 | 170.4 | -170.6 | 0 | 111.9 | I1705 S1707 L1711 A1712 D1713 | I1705-K1709 PolarHBondContact O-N 2.49Å; S1707-K1709 VanDerWaalsContact C-N 3.33Å; S1707-K1709 PolarHBondContact O-N 3.11Å; K1709-L1711 PolarHBondContact O-N 2.7Å; K1709-A1712 WeakPolarHBondContact O-CB 3.48Å; K1709-A1712 PolarHBondContact O-N 2.61Å; K1709-D1713 PolarHBondContact O-N 3.22Å; K1709-D1713 VanDerWaalsContact O-N 3.1Å |
| 1710 | S | 70.5 | Confident | 67.3 | Low | 84 Ų | 84 | 93.5 Ų | 93.5 | 59% | 0.587 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.3 | -30.6 | -179.7 | -169.5 | 0 | 0 | 0 | 0 | 112.6 | S1707 E1708 E1714 | S1707-S1710 WeakPolarHBondContact O-CB 3.47Å; S1707-S1710 PolarHBondContact O-N 3.03Å; E1708-S1710 VanDerWaalsContact C-N 3.3Å; E1708-S1710 PolarHBondContact O-N 3.43Å; S1710-E1714 PolarHBondContact O-N 3.17Å |
| 1711 | L | 72.2 | Confident | 67.3 | Low | 107 Ų | 107 | 94.4 Ų | 94.4 | 56% | 0.56 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -76.4 | -31.2 | 176.1 | -171.3 | 64.9 | 0 | 0 | 0 | 111.8 | E1708 K1709 N1715 | E1708-L1711 WeakPolarHBondContact O-CB 3.21Å; E1708-L1711 PolarHBondContact O-N 2.63Å; E1708-L1711 VanDerWaalsContact O-N 3.12Å; K1709-L1711 PolarHBondContact O-N 2.7Å; L1711-N1715 PolarHBondContact O-N 3.16Å; L1711-N1715 PolarHBondContact O-ND2 2.9Å |
| 1712 | A | 64.2 | Low | 67.4 | Low | 60 Ų | 60 | 97.6 Ų | 97.6 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66 | -40.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | E1708 K1709 E1714 N1715 L1716 | E1708-A1712 PolarHBondContact O-N 2.86Å; K1709-A1712 WeakPolarHBondContact O-CB 3.48Å; K1709-A1712 PolarHBondContact O-N 2.61Å; A1712-E1714 PolarHBondContact O-N 3.33Å; A1712-N1715 PolarHBondContact O-N 3.12Å; A1712-L1716 PolarHBondContact O-N 2.64Å |
| 1713 | D | 66.1 | Low | 68.1 | Low | 67 Ų | 67 | 98.5 Ų | 98.5 | 36% | 0.358 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 178.5 | -74.2 | -41.3 | 0 | 0 | 0 | 112.7 | K1709 L1716 E1717 | K1709-D1713 PolarHBondContact O-N 3.22Å; K1709-D1713 VanDerWaalsContact O-N 3.1Å; D1713-L1716 VanDerWaalsContact O-CB 3.24Å; D1713-L1716 WeakPolarHBondContact O-CB 3Å; D1713-L1716 PolarHBondContact O-N 2.76Å; D1713-E1717 PolarHBondContact O-N 3.05Å |
| 1714 | E | 66.7 | Low | 68.4 | Low | 122 Ų | 122 | 98.1 Ų | 98.1 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.7 | -41.4 | 174.5 | -173.9 | 177 | -158.2 | 0 | 0 | 112.3 | S1710 A1712 L1716 E1717 Q1718 | S1710-E1714 PolarHBondContact O-N 3.17Å; A1712-E1714 PolarHBondContact O-N 3.33Å; E1714-L1716 PolarHBondContact O-N 2.54Å; E1714-E1717 PolarHBondContact O-N 3Å; E1714-E1717 VanDerWaalsContact O-N 3.09Å; E1714-Q1718 PolarHBondContact O-N 3.12Å |
| 1715 | N | 68.1 | Low | 68.4 | Low | 79 Ų | 79 | 100.5 Ų | 100.5 | 42% | 0.422 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -30.2 | 174.5 | -79.6 | -72.6 | 0 | 0 | 0 | 112.1 | L1711 A1712 E1717 Q1718 L1719 | L1711-N1715 PolarHBondContact O-N 3.16Å; L1711-N1715 PolarHBondContact O-ND2 2.9Å; A1712-N1715 PolarHBondContact O-N 3.12Å; N1715-E1717 VanDerWaalsContact C-N 3.33Å; N1715-E1717 PolarHBondContact O-N 2.95Å; N1715-Q1718 PolarHBondContact O-N 3.39Å; N1715-L1719 WeakPolarHBondContact O-CG 3.01Å; N1715-L1719 PolarHBondContact O-N 2.75Å |
| 1716 | L | 64.4 | Low | 68.3 | Low | 80 Ų | 80 | 97.6 Ų | 97.6 | 42% | 0.419 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -36.5 | 173.4 | -158.3 | 79.8 | 0 | 0 | 0 | 112.2 | A1712 D1713 E1714 L1719 R1720 | A1712-L1716 PolarHBondContact O-N 2.64Å; D1713-L1716 VanDerWaalsContact O-CB 3.24Å; D1713-L1716 WeakPolarHBondContact O-CB 3Å; D1713-L1716 PolarHBondContact O-N 2.76Å; E1714-L1716 PolarHBondContact O-N 2.54Å; L1716-L1719 CarbonylContact O-C 3.09Å; L1716-L1719 WeakPolarHBondContact O-CB 3.07Å; L1716-L1719 PolarHBondContact O-N 3.19Å; L1716-R1720 WeakPolarHBondContact O-CG 3.07Å; L1716-R1720 PolarHBondContact O-N 3.08Å |
| 1717 | E | 69.9 | Low | 67.9 | Low | 89 Ų | 89 | 95.9 Ų | 95.9 | 42% | 0.416 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.5 | -35.7 | 177.3 | -165.3 | 58.4 | -117 | 0 | 0 | 112.4 | D1713 E1714 N1715 L1719 R1720 T1721 | D1713-E1717 PolarHBondContact O-N 3.05Å; E1714-E1717 PolarHBondContact O-N 3Å; E1714-E1717 VanDerWaalsContact O-N 3.09Å; N1715-E1717 VanDerWaalsContact C-N 3.33Å; N1715-E1717 PolarHBondContact O-N 2.95Å; E1717-L1719 PolarHBondContact O-N 3.41Å; E1717-R1720 VanDerWaalsContact CD-CD 3.47Å; E1717-R1720 WeakPolarHBondContact O-CB 3.41Å; E1717-R1720 PolarHBondContact O-N 2.73Å; E1717-R1720 VanDerWaalsContact O-N 3.11Å; E1717-R1720 VanDerWaalsContact OE1-CB 3.27Å; E1717-R1720 WeakPolarHBondContact OE1-CB 2.95Å; E1717-R1720 WeakPolarHBondContact OE1-CD 3.5Å; E1717-R1720 WeakPolarHBondContact OE2-CD 3.03Å; E1717-R1720 IonicContact OE2-CZ 2.75Å; E1717-R1720 IonicContact OE2-NE 3.02Å; E1717-R1720 IonicContact OE2-NH1 3.5Å; E1717-R1720 PolarHBondContact OE2-NH1 3.13Å; E1717-T1721 PolarHBondContact O-N 3.11Å |
| 1718 | Q | 65.3 | Low | 67.9 | Low | 97 Ų | 97 | 97.8 Ų | 97.8 | 45% | 0.453 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -35.7 | 168.6 | -61.3 | -166.7 | 29.4 | 0 | 0 | 111.9 | E1714 N1715 T1721 K1722 | E1714-Q1718 PolarHBondContact O-N 3.12Å; N1715-Q1718 PolarHBondContact O-N 3.39Å; Q1718-T1721 PolarHBondContact O-OG1 2.85Å; Q1718-T1721 VanDerWaalsContact O-OG1 3.08Å; Q1718-K1722 WeakPolarHBondContact O-CG 3.36Å; Q1718-K1722 PolarHBondContact O-N 2.75Å |
| 1719 | L | 64.3 | Low | 67.4 | Low | 98 Ų | 98 | 95 Ų | 95 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 169.9 | -73.8 | 171.1 | 0 | 0 | 0 | 111.9 | N1715 L1716 E1717 T1721 K1722 L1723 | N1715-L1719 WeakPolarHBondContact O-CG 3.01Å; N1715-L1719 PolarHBondContact O-N 2.75Å; L1716-L1719 CarbonylContact O-C 3.09Å; L1716-L1719 WeakPolarHBondContact O-CB 3.07Å; L1716-L1719 PolarHBondContact O-N 3.19Å; E1717-L1719 PolarHBondContact O-N 3.41Å; L1719-T1721 VanDerWaalsContact C-N 3.33Å; L1719-T1721 PolarHBondContact O-N 2.82Å; L1719-K1722 PolarHBondContact O-N 2.88Å; L1719-L1723 WeakPolarHBondContact O-CB 3.32Å; L1719-L1723 PolarHBondContact O-N 2.71Å |
| 1720 | R | 72 | Confident | 67.5 | Low | 136 Ų | 136 | 89.4 Ų | 89.4 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.6 | -37.7 | 176.6 | -74.9 | 166.9 | -178.7 | 175.2 | 2.8 | 113.1 | L1716 E1717 L1723 S1724 | L1716-R1720 WeakPolarHBondContact O-CG 3.07Å; L1716-R1720 PolarHBondContact O-N 3.08Å; E1717-R1720 VanDerWaalsContact CD-CD 3.47Å; E1717-R1720 WeakPolarHBondContact O-CB 3.41Å; E1717-R1720 PolarHBondContact O-N 2.73Å; E1717-R1720 VanDerWaalsContact O-N 3.11Å; E1717-R1720 VanDerWaalsContact OE1-CB 3.27Å; E1717-R1720 WeakPolarHBondContact OE1-CB 2.95Å; E1717-R1720 WeakPolarHBondContact OE1-CD 3.5Å; E1717-R1720 WeakPolarHBondContact OE2-CD 3.03Å; E1717-R1720 IonicContact OE2-CZ 2.75Å; E1717-R1720 IonicContact OE2-NE 3.02Å; E1717-R1720 IonicContact OE2-NH1 3.5Å; E1717-R1720 PolarHBondContact OE2-NH1 3.13Å; R1720-L1723 CarbonylContact O-C 3.56Å; R1720-L1723 WeakPolarHBondContact O-CB 2.97Å; R1720-L1723 PolarHBondContact O-N 3.25Å; R1720-S1724 PolarHBondContact O-N 3.33Å |
| 1721 | T | 68.7 | Low | 67.3 | Low | 82 Ų | 82 | 90 Ų | 90 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -74.4 | -38.4 | 176.3 | 61.2 | 0 | 0 | 0 | 0 | 113.2 | E1717 Q1718 L1719 L1723 S1724 K1725 | E1717-T1721 PolarHBondContact O-N 3.11Å; Q1718-T1721 PolarHBondContact O-OG1 2.85Å; Q1718-T1721 VanDerWaalsContact O-OG1 3.08Å; L1719-T1721 VanDerWaalsContact C-N 3.33Å; L1719-T1721 PolarHBondContact O-N 2.82Å; T1721-L1723 VanDerWaalsContact C-N 3.33Å; T1721-S1724 WeakPolarHBondContact O-CB 3.47Å; T1721-S1724 PolarHBondContact O-N 3.47Å; T1721-K1725 PolarHBondContact O-N 3.27Å; T1721-K1725 VanDerWaalsContact O-N 3.11Å |
| 1722 | K | 69.1 | Low | 67.1 | Low | 128 Ų | 128 | 93.7 Ų | 93.7 | 56% | 0.557 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -58.3 | -47.4 | 167.8 | -72.8 | 169.4 | -176.5 | 166.6 | 0 | 109.8 | Q1718 L1719 S1724 K1725 T1726 | Q1718-K1722 WeakPolarHBondContact O-CG 3.36Å; Q1718-K1722 PolarHBondContact O-N 2.75Å; L1719-K1722 PolarHBondContact O-N 2.88Å; K1722-S1724 VanDerWaalsContact C-N 3.31Å; K1722-S1724 PolarHBondContact O-N 3.36Å; K1722-K1725 PolarHBondContact O-N 3.22Å; K1722-T1726 WeakPolarHBondContact O-CB 3.11Å; K1722-T1726 WeakPolarHBondContact O-CG2 3.49Å; K1722-T1726 PolarHBondContact O-N 2.72Å; K1722-T1726 PolarHBondContact O-OG1 2.8Å |
| 1723 | L | 70.2 | Confident | 67.4 | Low | 62 Ų | 62 | 95.9 Ų | 95.9 | 33% | 0.325 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -49.9 | -48.4 | 167.9 | -116.8 | 66.6 | 0 | 0 | 0 | 111.1 | L1272 K1273 L1719 R1720 T1721 K1725 T1726 K1727 | L1272-L1723 HydrophobicContact CD1-CD2 4.49Å; K1273-L1723 HydrophobicContact CD-CB 4.4Å; K1273-L1723 HydrophobicContact CD-CG 4.03Å; K1273-L1723 WeakPolarHBondContact CD-O 3.49Å; K1273-L1723 WeakPolarHBondContact CE-O 3.43Å; K1273-L1723 VanDerWaalsContact NZ-CG 3.34Å; K1273-L1723 PolarHBondContact NZ-O 3.03Å; L1719-L1723 WeakPolarHBondContact O-CB 3.32Å; L1719-L1723 PolarHBondContact O-N 2.71Å; R1720-L1723 CarbonylContact O-C 3.56Å; R1720-L1723 WeakPolarHBondContact O-CB 2.97Å; R1720-L1723 PolarHBondContact O-N 3.25Å; T1721-L1723 VanDerWaalsContact C-N 3.33Å; L1723-K1725 PolarHBondContact O-N 3.1Å; L1723-T1726 VanDerWaalsContact CA-OG1 3.3Å; L1723-T1726 WeakPolarHBondContact CA-OG1 3.36Å; L1723-T1726 CarbonylContact O-C 3.4Å; L1723-T1726 PolarHBondContact O-N 2.64Å; L1723-T1726 VanDerWaalsContact O-N 3.07Å; L1723-T1726 PolarHBondContact O-OG1 3.46Å; L1723-K1727 PolarHBondContact O-N 3.15Å |
| 1724 | S | 72.8 | Confident | 67.3 | Low | 79 Ų | 79 | 97.1 Ų | 97.1 | 55% | 0.552 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.8 | -49.8 | -176.1 | -170.1 | 0 | 0 | 0 | 0 | 111.2 | R1720 T1721 K1722 T1726 K1727 | R1720-S1724 PolarHBondContact O-N 3.33Å; T1721-S1724 WeakPolarHBondContact O-CB 3.47Å; T1721-S1724 PolarHBondContact O-N 3.47Å; K1722-S1724 VanDerWaalsContact C-N 3.31Å; K1722-S1724 PolarHBondContact O-N 3.36Å; S1724-T1726 VanDerWaalsContact C-N 3.29Å; S1724-T1726 PolarHBondContact O-N 3.23Å; S1724-K1727 WeakPolarHBondContact O-CB 3.01Å; S1724-K1727 PolarHBondContact O-N 3.46Å; S1724-K1727 VanDerWaalsContact O-N 3.14Å |
| 1725 | K | 67.4 | Low | 67.6 | Low | 169 Ų | 169 | 94.5 Ų | 94.5 | 74% | 0.735 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -55.5 | -45 | 169.9 | -87.6 | -176.5 | 175.8 | 174.9 | 0 | 111.9 | Q1274 T1721 K1722 L1723 K1727 | Q1274-K1725 PolarHBondContact NE2-O 3.29Å; T1721-K1725 PolarHBondContact O-N 3.27Å; T1721-K1725 VanDerWaalsContact O-N 3.11Å; K1722-K1725 PolarHBondContact O-N 3.22Å; L1723-K1725 PolarHBondContact O-N 3.1Å; K1725-K1727 PolarHBondContact O-N 3.19Å |
| 1726 | T | 64.2 | Low | 67.6 | Low | 34 Ų | 34 | 95.7 Ų | 95.7 | 21% | 0.209 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -71.2 | -9.6 | -175.8 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | K1273 Q1274 K1722 L1723 S1724 | K1273-T1726 VanDerWaalsContact CB-CB 3.47Å; K1273-T1726 VanDerWaalsContact CB-O 3.25Å; K1273-T1726 WeakPolarHBondContact CB-O 3.39Å; K1273-T1726 VanDerWaalsContact CB-OG1 3.3Å; K1273-T1726 WeakPolarHBondContact CB-OG1 3.31Å; K1273-T1726 VanDerWaalsContact CD-C 3.41Å; K1273-T1726 VanDerWaalsContact CD-OG1 3.28Å; K1273-T1726 WeakPolarHBondContact CD-OG1 3.32Å; K1273-T1726 VanDerWaalsContact CG-C 3.41Å; K1273-T1726 WeakPolarHBondContact CG-O 3.22Å; Q1274-T1726 HydrophobicContact CB-CG2 3.99Å; Q1274-T1726 VanDerWaalsContact CB-O 3.23Å; Q1274-T1726 WeakPolarHBondContact CB-O 3.33Å; Q1274-T1726 VanDerWaalsContact CD-O 3.22Å; Q1274-T1726 VanDerWaalsContact CG-O 3.27Å; Q1274-T1726 WeakPolarHBondContact CG-O 3.43Å; Q1274-T1726 PolarHBondContact NE2-O 2.91Å; K1722-T1726 WeakPolarHBondContact O-CB 3.11Å; K1722-T1726 WeakPolarHBondContact O-CG2 3.49Å; K1722-T1726 PolarHBondContact O-N 2.72Å; K1722-T1726 PolarHBondContact O-OG1 2.8Å; L1723-T1726 VanDerWaalsContact CA-OG1 3.3Å; L1723-T1726 WeakPolarHBondContact CA-OG1 3.36Å; L1723-T1726 CarbonylContact O-C 3.4Å; L1723-T1726 PolarHBondContact O-N 2.64Å; L1723-T1726 VanDerWaalsContact O-N 3.07Å; L1723-T1726 PolarHBondContact O-OG1 3.46Å; S1724-T1726 VanDerWaalsContact C-N 3.29Å; S1724-T1726 PolarHBondContact O-N 3.23Å |
| 1727 | K | 65.9 | Low | 68.1 | Low | 99 Ų | 99 | 97.3 Ų | 97.3 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.5 | -48.8 | 175.6 | -141.3 | 156.8 | -162.1 | -172.4 | 0 | 113.8 | K1273 L1723 S1724 K1725 Q1729 V1730 E1731 | K1273-K1727 HydrophobicContact CD-CB 4.29Å; K1273-K1727 VanDerWaalsContact CE-CA 3.5Å; K1273-K1727 VanDerWaalsContact CE-CB 3.45Å; L1723-K1727 PolarHBondContact O-N 3.15Å; S1724-K1727 WeakPolarHBondContact O-CB 3.01Å; S1724-K1727 PolarHBondContact O-N 3.46Å; S1724-K1727 VanDerWaalsContact O-N 3.14Å; K1725-K1727 PolarHBondContact O-N 3.19Å; K1727-Q1729 PolarHBondContact O-N 3.48Å; K1727-V1730 WeakPolarHBondContact O-CA 3.41Å; K1727-V1730 WeakPolarHBondContact O-CB 2.98Å; K1727-V1730 WeakPolarHBondContact O-CG1 2.97Å; K1727-V1730 PolarHBondContact O-N 3.44Å; K1727-E1731 PolarHBondContact O-N 2.9Å |
| 1728 | L | 67.9 | Low | 68.1 | Low | 117 Ų | 117 | 95.6 Ų | 95.6 | 61% | 0.613 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.5 | -23.1 | -165.4 | -83.4 | 149.8 | 0 | 0 | 0 | 118.3 | E1731 | L1728-E1731 WeakPolarHBondContact CA-OE2 3.44Å; L1728-E1731 WeakPolarHBondContact CD2-OE2 3.4Å |
| 1729 | Q | 58.4 | Low | 68.3 | Low | 66 Ų | 66 | 95.6 Ų | 95.6 | 31% | 0.308 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -102.1 | -10.5 | 173 | -137.8 | -175 | -3.6 | 0 | 0 | 111.4 | Q1274 K1727 L1733 | Q1274-Q1729 HydrophobicContact CG-CB 3.27Å; Q1274-Q1729 HydrophobicContact CG-CG 4.37Å; Q1274-Q1729 VanDerWaalsContact NE2-CB 3.29Å; K1727-Q1729 PolarHBondContact O-N 3.48Å; Q1729-L1733 WeakPolarHBondContact O-CG 3.43Å; Q1729-L1733 PolarHBondContact O-N 2.83Å; Q1729-L1733 VanDerWaalsContact O-N 3.12Å |
| 1730 | V | 68.3 | Low | 68.2 | Low | 22 Ų | 22 | 96.1 Ų | 96.1 | 13% | 0.133 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 159.7 | 115.8 | 0 | 0 | 0 | 0 | 107.8 | K1273 K1727 R1732 L1733 E1734 | K1273-V1730 HydrophobicContact CB-CG2 4.48Å; K1273-V1730 HydrophobicContact CG-CB 4.16Å; K1273-V1730 HydrophobicContact CG-CG1 4.25Å; K1273-V1730 HydrophobicContact CG-CG2 4.41Å; K1727-V1730 WeakPolarHBondContact O-CA 3.41Å; K1727-V1730 WeakPolarHBondContact O-CB 2.98Å; K1727-V1730 WeakPolarHBondContact O-CG1 2.97Å; K1727-V1730 PolarHBondContact O-N 3.44Å; V1730-R1732 VanDerWaalsContact C-N 3.27Å; V1730-R1732 PolarHBondContact O-N 3.48Å; V1730-L1733 CarbonylContact O-C 3.33Å; V1730-L1733 WeakPolarHBondContact O-CA 3.02Å; V1730-L1733 PolarHBondContact O-N 2.76Å; V1730-E1734 HydrophobicContact CG1-CG 4.46Å; V1730-E1734 WeakPolarHBondContact CG1-OE2 3.26Å; V1730-E1734 WeakPolarHBondContact O-CB 2.85Å; V1730-E1734 VanDerWaalsContact O-CG 3.27Å; V1730-E1734 WeakPolarHBondContact O-CG 3.25Å; V1730-E1734 PolarHBondContact O-N 3.48Å |
| 1731 | E | 68.2 | Low | 68 | Low | 97 Ų | 97 | 93 Ų | 93 | 45% | 0.453 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -56 | -36.5 | 170.8 | -67.8 | 171.6 | 160.5 | 0 | 0 | 113.2 | K1727 L1728 E1734 S1735 | K1727-E1731 PolarHBondContact O-N 2.9Å; L1728-E1731 WeakPolarHBondContact CA-OE2 3.44Å; L1728-E1731 WeakPolarHBondContact CD2-OE2 3.4Å; E1731-E1734 VanDerWaalsContact CA-OE2 3.31Å; E1731-E1734 WeakPolarHBondContact CA-OE2 3.48Å; E1731-E1734 PolarHBondContact N-OE2 3.22Å; E1731-E1734 PolarHBondContact O-N 3.31Å; E1731-S1735 PolarHBondContact O-N 3.04Å |
| 1732 | R | 67.3 | Low | 68 | Low | 185 Ų | 185 | 92.8 Ų | 92.8 | 70% | 0.698 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -76.5 | -22.5 | 174.4 | -67.8 | -176.3 | -177.5 | -168.5 | 0.3 | 114.6 | V1730 S1735 | V1730-R1732 VanDerWaalsContact C-N 3.27Å; V1730-R1732 PolarHBondContact O-N 3.48Å; R1732-S1735 PolarHBondContact O-OG 3.04Å; R1732-S1735 VanDerWaalsContact O-OG 3.13Å |
| 1733 | L | 70.3 | Confident | 67.6 | Low | 106 Ų | 106 | 91.8 Ų | 91.8 | 56% | 0.555 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -82.3 | -34.6 | 168.5 | -72.4 | 170.7 | 0 | 0 | 0 | 109.8 | Q1729 V1730 N1736 K1737 | Q1729-L1733 WeakPolarHBondContact O-CG 3.43Å; Q1729-L1733 PolarHBondContact O-N 2.83Å; Q1729-L1733 VanDerWaalsContact O-N 3.12Å; V1730-L1733 CarbonylContact O-C 3.33Å; V1730-L1733 WeakPolarHBondContact O-CA 3.02Å; V1730-L1733 PolarHBondContact O-N 2.76Å; L1733-N1736 CarbonylContact O-C 2.67Å; L1733-N1736 PolarHBondContact O-N 2.87Å; L1733-N1736 VanDerWaalsContact O-N 3.16Å; L1733-K1737 VanDerWaalsContact O-CB 3.3Å; L1733-K1737 WeakPolarHBondContact O-CB 3.28Å; L1733-K1737 PolarHBondContact O-N 2.91Å |
| 1734 | E | 65 | Low | 67.2 | Low | 93 Ų | 93 | 94 Ų | 94 | 44% | 0.435 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.1 | -30.8 | 175.6 | -73.7 | 167.6 | 154.9 | 0 | 0 | 112.4 | V1730 E1731 N1736 S1738 | V1730-E1734 HydrophobicContact CG1-CG 4.46Å; V1730-E1734 WeakPolarHBondContact CG1-OE2 3.26Å; V1730-E1734 WeakPolarHBondContact O-CB 2.85Å; V1730-E1734 VanDerWaalsContact O-CG 3.27Å; V1730-E1734 WeakPolarHBondContact O-CG 3.25Å; V1730-E1734 PolarHBondContact O-N 3.48Å; E1731-E1734 VanDerWaalsContact CA-OE2 3.31Å; E1731-E1734 WeakPolarHBondContact CA-OE2 3.48Å; E1731-E1734 PolarHBondContact N-OE2 3.22Å; E1731-E1734 PolarHBondContact O-N 3.31Å; E1734-N1736 VanDerWaalsContact C-N 3.3Å; E1734-N1736 PolarHBondContact O-N 3Å; E1734-S1738 WeakPolarHBondContact O-CA 3.41Å; E1734-S1738 WeakPolarHBondContact O-CB 3.37Å; E1734-S1738 PolarHBondContact O-N 3.1Å |
| 1735 | S | 72.6 | Confident | 67 | Low | 67 Ų | 67 | 93.2 Ų | 93.2 | 47% | 0.469 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.3 | -33.2 | 170.4 | 66 | 0 | 0 | 0 | 0 | 112.7 | E1731 R1732 N1739 | E1731-S1735 PolarHBondContact O-N 3.04Å; R1732-S1735 PolarHBondContact O-OG 3.04Å; R1732-S1735 VanDerWaalsContact O-OG 3.13Å; S1735-N1739 PolarHBondContact O-N 2.56Å |
| 1736 | N | 66.9 | Low | 66.8 | Low | 103 Ų | 103 | 91.8 Ų | 91.8 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -85.9 | -34.7 | 177.2 | -71.1 | 2 | 0 | 0 | 0 | 111.8 | L1733 E1734 S1738 N1739 L1740 | L1733-N1736 CarbonylContact O-C 2.67Å; L1733-N1736 PolarHBondContact O-N 2.87Å; L1733-N1736 VanDerWaalsContact O-N 3.16Å; E1734-N1736 VanDerWaalsContact C-N 3.3Å; E1734-N1736 PolarHBondContact O-N 3Å; N1736-S1738 VanDerWaalsContact C-N 3.35Å; N1736-N1739 PolarHBondContact O-N 2.85Å; N1736-L1740 PolarHBondContact O-N 3.22Å |
| 1737 | K | 74.9 | Confident | 66.3 | Low | 115 Ų | 115 | 95.6 Ų | 95.6 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.2 | -51.3 | 168 | -162.5 | -155.7 | -179.9 | -140.2 | 0 | 108.2 | L1733 N1739 L1740 E1741 | L1733-K1737 VanDerWaalsContact O-CB 3.3Å; L1733-K1737 WeakPolarHBondContact O-CB 3.28Å; L1733-K1737 PolarHBondContact O-N 2.91Å; K1737-N1739 PolarHBondContact O-N 2.62Å; K1737-L1740 CarbonylContact O-C 3.18Å; K1737-L1740 PolarHBondContact O-N 3.49Å; K1737-E1741 VanDerWaalsContact C-OE2 3.22Å; K1737-E1741 WeakPolarHBondContact CD-OE2 3.46Å; K1737-E1741 WeakPolarHBondContact CE-OE1 3.43Å; K1737-E1741 HydrophobicContact CG-CG 4.11Å; K1737-E1741 WeakPolarHBondContact CG-OE2 3.21Å; K1737-E1741 IonicContact NZ-OE1 3.62Å; K1737-E1741 PolarHBondContact NZ-OE1 3.08Å; K1737-E1741 IonicContact NZ-OE2 3.84Å; K1737-E1741 VanDerWaalsContact O-CB 3.26Å; K1737-E1741 WeakPolarHBondContact O-CB 2.84Å; K1737-E1741 VanDerWaalsContact O-CG 3.27Å; K1737-E1741 WeakPolarHBondContact O-CG 3.33Å; K1737-E1741 PolarHBondContact O-N 2.77Å |
| 1738 | S | 70.7 | Confident | 66.5 | Low | 52 Ų | 52 | 95.6 Ų | 95.6 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -53.5 | -39 | 174.1 | 176 | 0 | 0 | 0 | 0 | 112.4 | E1734 N1736 E1741 N1742 | E1734-S1738 WeakPolarHBondContact O-CA 3.41Å; E1734-S1738 WeakPolarHBondContact O-CB 3.37Å; E1734-S1738 PolarHBondContact O-N 3.1Å; N1736-S1738 VanDerWaalsContact C-N 3.35Å; S1738-E1741 WeakPolarHBondContact CA-OE2 3.19Å; S1738-E1741 PolarHBondContact N-OE2 3.14Å; S1738-N1742 VanDerWaalsContact O-CB 3.26Å; S1738-N1742 WeakPolarHBondContact O-CB 3.02Å; S1738-N1742 PolarHBondContact O-N 2.82Å; S1738-N1742 PolarHBondContact O-ND2 2.66Å; S1738-N1742 VanDerWaalsContact O-ND2 3.08Å; S1738-N1742 PolarHBondContact O-OD1 2.98Å |
| 1739 | N | 68.5 | Low | 66.5 | Low | 98 Ų | 98 | 94.9 Ų | 94.9 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.1 | -30 | 178.8 | -158.6 | 28.6 | 0 | 0 | 0 | 113.6 | S1735 N1736 K1737 | S1735-N1739 PolarHBondContact O-N 2.56Å; N1736-N1739 PolarHBondContact O-N 2.85Å; K1737-N1739 PolarHBondContact O-N 2.62Å |
| 1740 | L | 62.7 | Low | 66.5 | Low | 109 Ų | 109 | 94.1 Ų | 94.1 | 57% | 0.571 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -80.5 | -36.9 | 171.4 | -70.4 | 170.5 | 0 | 0 | 0 | 111.9 | N1736 K1737 N1742 Q1743 L1744 | N1736-L1740 PolarHBondContact O-N 3.22Å; K1737-L1740 CarbonylContact O-C 3.18Å; K1737-L1740 PolarHBondContact O-N 3.49Å; L1740-N1742 VanDerWaalsContact C-N 3.3Å; L1740-N1742 PolarHBondContact O-N 3.31Å; L1740-Q1743 CarbonylContact O-C 3.59Å; L1740-Q1743 WeakPolarHBondContact O-CB 3.25Å; L1740-Q1743 PolarHBondContact O-N 2.94Å; L1740-L1744 WeakPolarHBondContact O-CB 3.39Å; L1740-L1744 PolarHBondContact O-N 2.88Å |
| 1741 | E | 67.7 | Low | 66.4 | Low | 69 Ų | 69 | 97 Ų | 97 | 32% | 0.322 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 169.1 | -76 | 171.7 | 134 | 0 | 0 | 109.9 | K1737 S1738 Q1743 L1744 T1745 | K1737-E1741 VanDerWaalsContact C-OE2 3.22Å; K1737-E1741 WeakPolarHBondContact CD-OE2 3.46Å; K1737-E1741 WeakPolarHBondContact CE-OE1 3.43Å; K1737-E1741 HydrophobicContact CG-CG 4.11Å; K1737-E1741 WeakPolarHBondContact CG-OE2 3.21Å; K1737-E1741 IonicContact NZ-OE1 3.62Å; K1737-E1741 PolarHBondContact NZ-OE1 3.08Å; K1737-E1741 IonicContact NZ-OE2 3.84Å; K1737-E1741 VanDerWaalsContact O-CB 3.26Å; K1737-E1741 WeakPolarHBondContact O-CB 2.84Å; K1737-E1741 VanDerWaalsContact O-CG 3.27Å; K1737-E1741 WeakPolarHBondContact O-CG 3.33Å; K1737-E1741 PolarHBondContact O-N 2.77Å; S1738-E1741 WeakPolarHBondContact CA-OE2 3.19Å; S1738-E1741 PolarHBondContact N-OE2 3.14Å; E1741-Q1743 PolarHBondContact O-N 2.96Å; E1741-L1744 CarbonylContact O-C 3.39Å; E1741-L1744 PolarHBondContact O-N 2.77Å; E1741-T1745 WeakPolarHBondContact O-CB 3.4Å; E1741-T1745 VanDerWaalsContact O-CG2 3.29Å; E1741-T1745 WeakPolarHBondContact O-CG2 3.2Å; E1741-T1745 PolarHBondContact O-N 3.41Å; E1741-T1745 PolarHBondContact O-OG1 3.16Å |
| 1742 | N | 69.5 | Low | 66.3 | Low | 79 Ų | 79 | 95.2 Ų | 95.2 | 42% | 0.422 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.7 | -17.8 | 174.4 | -73.2 | -24.9 | 0 | 0 | 0 | 113.6 | S1738 L1740 T1745 Q1746 | S1738-N1742 VanDerWaalsContact O-CB 3.26Å; S1738-N1742 WeakPolarHBondContact O-CB 3.02Å; S1738-N1742 PolarHBondContact O-N 2.82Å; S1738-N1742 PolarHBondContact O-ND2 2.66Å; S1738-N1742 VanDerWaalsContact O-ND2 3.08Å; S1738-N1742 PolarHBondContact O-OD1 2.98Å; L1740-N1742 VanDerWaalsContact C-N 3.3Å; L1740-N1742 PolarHBondContact O-N 3.31Å; N1742-T1745 WeakPolarHBondContact CA-OG1 3.17Å; N1742-T1745 PolarHBondContact O-OG1 3.32Å; N1742-Q1746 WeakPolarHBondContact O-CG 3.21Å; N1742-Q1746 PolarHBondContact O-NE2 2.86Å |
| 1743 | Q | 60.8 | Low | 66.3 | Low | 106 Ų | 106 | 90 Ų | 90 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -92.8 | -39.5 | 171.8 | -63.5 | 174.4 | 23.1 | 0 | 0 | 110.7 | L1740 E1741 T1745 Q1746 L1747 | L1740-Q1743 CarbonylContact O-C 3.59Å; L1740-Q1743 WeakPolarHBondContact O-CB 3.25Å; L1740-Q1743 PolarHBondContact O-N 2.94Å; E1741-Q1743 PolarHBondContact O-N 2.96Å; Q1743-T1745 VanDerWaalsContact C-N 3.31Å; Q1743-T1745 PolarHBondContact O-N 3.5Å; Q1743-Q1746 PolarHBondContact O-N 2.8Å; Q1743-L1747 PolarHBondContact O-N 2.94Å |
| 1744 | L | 60.5 | Low | 65.6 | Low | 110 Ų | 110 | 89.3 Ų | 89.3 | 58% | 0.576 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.6 | -32.4 | 170.8 | -93.3 | 164.4 | 0 | 0 | 0 | 112.4 | L1740 E1741 L1747 E1748 | L1740-L1744 WeakPolarHBondContact O-CB 3.39Å; L1740-L1744 PolarHBondContact O-N 2.88Å; E1741-L1744 CarbonylContact O-C 3.39Å; E1741-L1744 PolarHBondContact O-N 2.77Å; L1744-L1747 CarbonylContact O-C 3.5Å; L1744-E1748 WeakPolarHBondContact O-CA 3.48Å; L1744-E1748 WeakPolarHBondContact O-CB 2.95Å; L1744-E1748 PolarHBondContact O-N 3.17Å |
| 1745 | T | 70.2 | Confident | 65.5 | Low | 61 Ų | 61 | 89.3 Ų | 89.3 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -75.7 | -31.1 | 174.1 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | E1741 N1742 Q1743 E1748 D1749 | E1741-T1745 WeakPolarHBondContact O-CB 3.4Å; E1741-T1745 VanDerWaalsContact O-CG2 3.29Å; E1741-T1745 WeakPolarHBondContact O-CG2 3.2Å; E1741-T1745 PolarHBondContact O-N 3.41Å; E1741-T1745 PolarHBondContact O-OG1 3.16Å; N1742-T1745 WeakPolarHBondContact CA-OG1 3.17Å; N1742-T1745 PolarHBondContact O-OG1 3.32Å; Q1743-T1745 VanDerWaalsContact C-N 3.31Å; Q1743-T1745 PolarHBondContact O-N 3.5Å; T1745-E1748 CarbonylContact O-C 3.29Å; T1745-E1748 PolarHBondContact O-N 2.76Å; T1745-D1749 WeakPolarHBondContact O-CB 3.36Å; T1745-D1749 PolarHBondContact O-N 3.14Å |
| 1746 | Q | 62.1 | Low | 65.2 | Low | 139 Ų | 139 | 90.7 Ų | 90.7 | 65% | 0.65 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -69.7 | -38.9 | 170.8 | -72.9 | 172.3 | 61.3 | 0 | 0 | 111.4 | N1742 Q1743 A1750 | N1742-Q1746 WeakPolarHBondContact O-CG 3.21Å; N1742-Q1746 PolarHBondContact O-NE2 2.86Å; Q1743-Q1746 PolarHBondContact O-N 2.8Å; Q1746-A1750 WeakPolarHBondContact O-CB 3.46Å; Q1746-A1750 PolarHBondContact O-N 3.12Å; Q1746-A1750 VanDerWaalsContact O-N 3.08Å |
| 1747 | L | 54.6 | Low | 64.7 | Low | 115 Ų | 115 | 87.5 Ų | 87.5 | 60% | 0.602 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -69.7 | -36.9 | 170.3 | -75.7 | 167.8 | 0 | 0 | 0 | 112.1 | Q1743 L1744 A1750 V1751 | Q1743-L1747 PolarHBondContact O-N 2.94Å; L1744-L1747 CarbonylContact O-C 3.5Å; L1747-A1750 PolarHBondContact O-N 2.79Å; L1747-V1751 WeakPolarHBondContact O-CB 3.3Å; L1747-V1751 VanDerWaalsContact O-CG2 3.29Å; L1747-V1751 WeakPolarHBondContact O-CG2 3.35Å; L1747-V1751 PolarHBondContact O-N 2.92Å |
| 1748 | E | 68.9 | Low | 63.6 | Low | 98 Ų | 98 | 88.8 Ų | 88.8 | 46% | 0.458 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -76.6 | -24.9 | 178 | 178.1 | 161.5 | -149.1 | 0 | 0 | 111.6 | L1744 T1745 V1751 N1752 | L1744-E1748 WeakPolarHBondContact O-CA 3.48Å; L1744-E1748 WeakPolarHBondContact O-CB 2.95Å; L1744-E1748 PolarHBondContact O-N 3.17Å; T1745-E1748 CarbonylContact O-C 3.29Å; T1745-E1748 PolarHBondContact O-N 2.76Å; E1748-V1751 CarbonylContact O-C 2.9Å; E1748-N1752 VanDerWaalsContact CG-ND2 3.27Å; E1748-N1752 WeakPolarHBondContact CG-ND2 2.89Å; E1748-N1752 WeakPolarHBondContact O-CA 3.27Å; E1748-N1752 WeakPolarHBondContact O-CB 3.21Å; E1748-N1752 PolarHBondContact O-N 2.99Å; E1748-N1752 PolarHBondContact O-ND2 3.4Å; E1748-N1752 VanDerWaalsContact O-ND2 3.15Å |
| 1749 | D | 68.5 | Low | 63 | Low | 102 Ų | 102 | 90.1 Ų | 90.1 | 55% | 0.545 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -74.3 | -37.1 | 167.9 | -80 | -24.4 | 0 | 0 | 0 | 110.8 | T1745 N1752 T1753 | T1745-D1749 WeakPolarHBondContact O-CB 3.36Å; T1745-D1749 PolarHBondContact O-N 3.14Å; D1749-N1752 PolarHBondContact O-N 2.77Å; D1749-T1753 WeakPolarHBondContact O-CB 3.44Å; D1749-T1753 WeakPolarHBondContact O-CG2 3.35Å; D1749-T1753 PolarHBondContact O-N 2.75Å; D1749-T1753 PolarHBondContact O-OG1 2.93Å |
| 1750 | A | 58.3 | Low | 62.5 | Low | 51 Ų | 51 | 88.3 Ų | 88.3 | 42% | 0.421 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q1746 L1747 T1753 K1754 | Q1746-A1750 WeakPolarHBondContact O-CB 3.46Å; Q1746-A1750 PolarHBondContact O-N 3.12Å; Q1746-A1750 VanDerWaalsContact O-N 3.08Å; L1747-A1750 PolarHBondContact O-N 2.79Å; A1750-T1753 WeakPolarHBondContact CA-OG1 3.08Å; A1750-T1753 PolarHBondContact O-OG1 3.14Å; A1750-K1754 WeakPolarHBondContact O-CB 3.34Å; A1750-K1754 VanDerWaalsContact O-CG 3.25Å; A1750-K1754 WeakPolarHBondContact O-CG 3.35Å; A1750-K1754 PolarHBondContact O-N 2.85Å; A1750-K1754 VanDerWaalsContact O-N 3.1Å |
| 1751 | V | 66.5 | Low | 62 | Low | 83 Ų | 83 | 88.6 Ų | 88.6 | 50% | 0.503 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 172.3 | 167.7 | 0 | 0 | 0 | 0 | 110.6 | L1747 E1748 K1754 K1755 | L1747-V1751 WeakPolarHBondContact O-CB 3.3Å; L1747-V1751 VanDerWaalsContact O-CG2 3.29Å; L1747-V1751 WeakPolarHBondContact O-CG2 3.35Å; L1747-V1751 PolarHBondContact O-N 2.92Å; E1748-V1751 CarbonylContact O-C 2.9Å; V1751-K1754 CarbonylContact O-C 3.49Å; V1751-K1754 PolarHBondContact O-N 3.37Å; V1751-K1755 HydrophobicContact CG1-CD 4.3Å; V1751-K1755 WeakPolarHBondContact O-CA 3.05Å; V1751-K1755 WeakPolarHBondContact O-CB 3.32Å; V1751-K1755 PolarHBondContact O-N 2.96Å |
| 1752 | N | 66.8 | Low | 61.3 | Low | 58 Ų | 58 | 88.5 Ų | 88.5 | 31% | 0.31 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -73.2 | -29.3 | -178.4 | -78.3 | -29.7 | 0 | 0 | 0 | 111.9 | E1748 D1749 K1755 L1756 | E1748-N1752 VanDerWaalsContact CG-ND2 3.27Å; E1748-N1752 WeakPolarHBondContact CG-ND2 2.89Å; E1748-N1752 WeakPolarHBondContact O-CA 3.27Å; E1748-N1752 WeakPolarHBondContact O-CB 3.21Å; E1748-N1752 PolarHBondContact O-N 2.99Å; E1748-N1752 PolarHBondContact O-ND2 3.4Å; E1748-N1752 VanDerWaalsContact O-ND2 3.15Å; D1749-N1752 PolarHBondContact O-N 2.77Å; N1752-K1755 CarbonylContact O-C 3.57Å; N1752-K1755 WeakPolarHBondContact OD1-CD 3.42Å; N1752-K1755 PolarHBondContact OD1-NZ 3.48Å; N1752-L1756 WeakPolarHBondContact O-CA 3.42Å; N1752-L1756 WeakPolarHBondContact O-CB 3.26Å; N1752-L1756 PolarHBondContact O-N 2.94Å |
| 1753 | T | 66.6 | Low | 60.6 | Low | 76 Ų | 76 | 88 Ų | 88 | 47% | 0.466 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.9 | -45 | 166.6 | 45.3 | 0 | 0 | 0 | 0 | 111 | D1749 A1750 K1755 L1756 E1757 | D1749-T1753 WeakPolarHBondContact O-CB 3.44Å; D1749-T1753 WeakPolarHBondContact O-CG2 3.35Å; D1749-T1753 PolarHBondContact O-N 2.75Å; D1749-T1753 PolarHBondContact O-OG1 2.93Å; A1750-T1753 WeakPolarHBondContact CA-OG1 3.08Å; A1750-T1753 PolarHBondContact O-OG1 3.14Å; T1753-K1755 VanDerWaalsContact C-N 3.28Å; T1753-K1755 PolarHBondContact O-N 2.91Å; T1753-L1756 WeakPolarHBondContact O-CB 3.24Å; T1753-L1756 PolarHBondContact O-N 3.33Å; T1753-L1756 VanDerWaalsContact O-N 3.15Å; T1753-E1757 VanDerWaalsContact O-CG 3.24Å; T1753-E1757 WeakPolarHBondContact O-CG 3.49Å; T1753-E1757 PolarHBondContact O-N 3.21Å |
| 1754 | K | 54.8 | Low | 60.2 | Low | 92 Ų | 92 | 87.5 Ų | 87.5 | 40% | 0.4 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.6 | -35.2 | 172.4 | -70.5 | -81.7 | 156.2 | -106 | 0 | 113.7 | K987 S988 A1750 V1751 E1757 Y1758 | K987-K1754 PolarHBondContact O-NZ 2.59Å; S988-K1754 WeakPolarHBondContact O-CE 3.42Å; S988-K1754 PolarHBondContact O-NZ 3.2Å; A1750-K1754 WeakPolarHBondContact O-CB 3.34Å; A1750-K1754 VanDerWaalsContact O-CG 3.25Å; A1750-K1754 WeakPolarHBondContact O-CG 3.35Å; A1750-K1754 PolarHBondContact O-N 2.85Å; A1750-K1754 VanDerWaalsContact O-N 3.1Å; V1751-K1754 CarbonylContact O-C 3.49Å; V1751-K1754 PolarHBondContact O-N 3.37Å; K1754-E1757 VanDerWaalsContact CA-OE2 3.24Å; K1754-E1757 WeakPolarHBondContact CA-OE2 3.32Å; K1754-E1757 WeakPolarHBondContact CD-OE2 3.22Å; K1754-E1757 IonicContact NZ-OE1 3.27Å; K1754-E1757 PolarHBondContact NZ-OE1 2.97Å; K1754-E1757 IonicContact NZ-OE2 2.69Å; K1754-E1757 PolarHBondContact NZ-OE2 2.59Å; K1754-Y1758 WeakPolarHBondContact O-CB 3.27Å; K1754-Y1758 PolarHBondContact O-N 2.91Å |
| 1755 | K | 63 | Low | 59.9 | Low | 93 Ų | 93 | 86.8 Ų | 86.8 | 40% | 0.404 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -81.5 | -24 | 177.8 | -175.7 | 174.1 | 161.6 | -156.5 | 0 | 111.3 | V1751 N1752 T1753 N1759 | V1751-K1755 HydrophobicContact CG1-CD 4.3Å; V1751-K1755 WeakPolarHBondContact O-CA 3.05Å; V1751-K1755 WeakPolarHBondContact O-CB 3.32Å; V1751-K1755 PolarHBondContact O-N 2.96Å; N1752-K1755 CarbonylContact O-C 3.57Å; N1752-K1755 WeakPolarHBondContact OD1-CD 3.42Å; N1752-K1755 PolarHBondContact OD1-NZ 3.48Å; T1753-K1755 VanDerWaalsContact C-N 3.28Å; T1753-K1755 PolarHBondContact O-N 2.91Å; K1755-N1759 WeakPolarHBondContact O-CA 3.05Å; K1755-N1759 WeakPolarHBondContact O-CB 3.07Å; K1755-N1759 PolarHBondContact O-N 3.4Å; K1755-N1759 PolarHBondContact O-ND2 3.16Å; K1755-N1759 PolarHBondContact O-OD1 3.08Å |
| 1756 | L | 66.8 | Low | 59.3 | Low | 96 Ų | 96 | 86.4 Ų | 86.4 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -74.2 | -44.7 | 168 | -177.8 | 68.2 | 0 | 0 | 0 | 110.5 | N1752 T1753 Y1758 N1759 Q1760 | N1752-L1756 WeakPolarHBondContact O-CA 3.42Å; N1752-L1756 WeakPolarHBondContact O-CB 3.26Å; N1752-L1756 PolarHBondContact O-N 2.94Å; T1753-L1756 WeakPolarHBondContact O-CB 3.24Å; T1753-L1756 PolarHBondContact O-N 3.33Å; T1753-L1756 VanDerWaalsContact O-N 3.15Å; L1756-Y1758 VanDerWaalsContact C-N 3.28Å; L1756-Y1758 PolarHBondContact O-N 3.23Å; L1756-N1759 CarbonylContact O-C 3.5Å; L1756-N1759 PolarHBondContact O-N 2.95Å; L1756-N1759 VanDerWaalsContact O-N 3.14Å; L1756-Q1760 WeakPolarHBondContact O-CB 3.07Å; L1756-Q1760 VanDerWaalsContact O-CG 3.3Å; L1756-Q1760 WeakPolarHBondContact O-CG 3.11Å; L1756-Q1760 PolarHBondContact O-N 2.92Å |
| 1757 | E | 56.5 | Low | 59.3 | Low | 36 Ų | 36 | 83.5 Ų | 83.5 | 17% | 0.168 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 172.3 | -65 | 161.6 | 141.6 | 0 | 0 | 110.7 | K987 T1753 K1754 L1761 | K987-E1757 PolarHBondContact N-OE1 3.08Å; K987-E1757 VanDerWaalsContact O-OE2 3.11Å; T1753-E1757 VanDerWaalsContact O-CG 3.24Å; T1753-E1757 WeakPolarHBondContact O-CG 3.49Å; T1753-E1757 PolarHBondContact O-N 3.21Å; K1754-E1757 VanDerWaalsContact CA-OE2 3.24Å; K1754-E1757 WeakPolarHBondContact CA-OE2 3.32Å; K1754-E1757 WeakPolarHBondContact CD-OE2 3.22Å; K1754-E1757 IonicContact NZ-OE1 3.27Å; K1754-E1757 PolarHBondContact NZ-OE1 2.97Å; K1754-E1757 IonicContact NZ-OE2 2.69Å; K1754-E1757 PolarHBondContact NZ-OE2 2.59Å; E1757-L1761 WeakPolarHBondContact O-CG 3.38Å; E1757-L1761 PolarHBondContact O-N 3.37Å |
| 1758 | Y | 52.3 | Low | 59 | Low | 141 Ų | 141 | 84 Ų | 84 | 55% | 0.553 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.7 | -47.7 | 168.8 | -175.1 | -102.3 | 0 | 0 | 0 | 111.9 | K1754 L1756 Q1760 L1761 L1762 | K1754-Y1758 WeakPolarHBondContact O-CB 3.27Å; K1754-Y1758 PolarHBondContact O-N 2.91Å; L1756-Y1758 VanDerWaalsContact C-N 3.28Å; L1756-Y1758 PolarHBondContact O-N 3.23Å; Y1758-Q1760 PolarHBondContact O-N 2.74Å; Y1758-L1761 CarbonylContact O-C 3.5Å; Y1758-L1761 WeakPolarHBondContact O-CA 3.47Å; Y1758-L1761 PolarHBondContact O-N 3.06Å; Y1758-L1762 HydrophobicContact CD1-CD2 4.46Å; Y1758-L1762 HydrophobicContact CE1-CB 4.48Å; Y1758-L1762 HydrophobicContact CE1-CD1 4.01Å; Y1758-L1762 HydrophobicContact CE1-CD2 4.05Å; Y1758-L1762 HydrophobicContact CE1-CG 4.42Å; Y1758-L1762 VanDerWaalsContact O-CB 3.29Å; Y1758-L1762 WeakPolarHBondContact O-CB 3.28Å; Y1758-L1762 PolarHBondContact O-N 3.42Å |
| 1759 | N | 56.8 | Low | 58.2 | Low | 80 Ų | 80 | 84.9 Ų | 84.9 | 43% | 0.428 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -71.4 | -4.9 | 179.1 | -70 | -10.4 | 0 | 0 | 0 | 114.1 | K1755 L1756 P1763 | K1755-N1759 WeakPolarHBondContact O-CA 3.05Å; K1755-N1759 WeakPolarHBondContact O-CB 3.07Å; K1755-N1759 PolarHBondContact O-N 3.4Å; K1755-N1759 PolarHBondContact O-ND2 3.16Å; K1755-N1759 PolarHBondContact O-OD1 3.08Å; L1756-N1759 CarbonylContact O-C 3.5Å; L1756-N1759 PolarHBondContact O-N 2.95Å; L1756-N1759 VanDerWaalsContact O-N 3.14Å; N1759-P1763 WeakPolarHBondContact O-CD 3.2Å; N1759-P1763 WeakPolarHBondContact O-CG 3.34Å |
| 1760 | Q | 58.9 | Low | 57.6 | Low | 60 Ų | 60 | 81.8 Ų | 81.8 | 28% | 0.28 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -93.3 | -29.2 | 166.2 | -74.3 | 172.1 | 7.2 | 0 | 0 | 111.5 | L1756 Y1758 N1764 | L1756-Q1760 WeakPolarHBondContact O-CB 3.07Å; L1756-Q1760 VanDerWaalsContact O-CG 3.3Å; L1756-Q1760 WeakPolarHBondContact O-CG 3.11Å; L1756-Q1760 PolarHBondContact O-N 2.92Å; Y1758-Q1760 PolarHBondContact O-N 2.74Å; Q1760-N1764 PolarHBondContact O-ND2 2.96Å |
| 1761 | L | 52.7 | Low | 57.7 | Low | 115 Ų | 115 | 86.7 Ų | 86.7 | 60% | 0.602 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -80.9 | -31.5 | 171 | -68 | 170.3 | 0 | 0 | 0 | 111.9 | E1757 Y1758 N1764 L1765 | E1757-L1761 WeakPolarHBondContact O-CG 3.38Å; E1757-L1761 PolarHBondContact O-N 3.37Å; Y1758-L1761 CarbonylContact O-C 3.5Å; Y1758-L1761 WeakPolarHBondContact O-CA 3.47Å; Y1758-L1761 PolarHBondContact O-N 3.06Å; L1761-N1764 CarbonylContact O-C 2.87Å; L1761-N1764 PolarHBondContact O-N 2.88Å; L1761-L1765 WeakPolarHBondContact O-CB 2.99Å; L1761-L1765 PolarHBondContact O-N 3.45Å |
| 1762 | L | 52.7 | Low | 57.3 | Low | 67 Ų | 67 | 88 Ų | 88 | 35% | 0.351 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | -179.1 | -169.3 | 64.9 | 0 | 0 | 0 | 113.8 | Y1758 N1764 S1766 | Y1758-L1762 HydrophobicContact CD1-CD2 4.46Å; Y1758-L1762 HydrophobicContact CE1-CB 4.48Å; Y1758-L1762 HydrophobicContact CE1-CD1 4.01Å; Y1758-L1762 HydrophobicContact CE1-CD2 4.05Å; Y1758-L1762 HydrophobicContact CE1-CG 4.42Å; Y1758-L1762 VanDerWaalsContact O-CB 3.29Å; Y1758-L1762 WeakPolarHBondContact O-CB 3.28Å; Y1758-L1762 PolarHBondContact O-N 3.42Å; L1762-N1764 VanDerWaalsContact C-N 3.31Å; L1762-N1764 PolarHBondContact O-N 3.37Å; L1762-S1766 WeakPolarHBondContact O-CA 3.34Å; L1762-S1766 WeakPolarHBondContact O-CB 3.21Å; L1762-S1766 PolarHBondContact O-N 2.85Å |
| 1763 | P | 53.5 | Low | 56.7 | Low | 70 Ų | 70 | 89.1 Ų | 89.1 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.2 | -28 | 173.4 | 26.6 | -35.6 | 0 | 0 | 0 | 112.2 | N1759 S1766 E1767 | N1759-P1763 WeakPolarHBondContact O-CD 3.2Å; N1759-P1763 WeakPolarHBondContact O-CG 3.34Å; P1763-S1766 CarbonylContact O-C 3.56Å; P1763-E1767 WeakPolarHBondContact O-CB 3.38Å; P1763-E1767 PolarHBondContact O-N 2.85Å |
| 1764 | N | 53.5 | Low | 56.7 | Low | 95 Ų | 95 | 91.1 Ų | 91.1 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -77.5 | -38.2 | 175.8 | -74.6 | -64 | 0 | 0 | 0 | 112.2 | Q1760 L1761 L1762 S1766 E1767 L1768 | Q1760-N1764 PolarHBondContact O-ND2 2.96Å; L1761-N1764 CarbonylContact O-C 2.87Å; L1761-N1764 PolarHBondContact O-N 2.88Å; L1762-N1764 VanDerWaalsContact C-N 3.31Å; L1762-N1764 PolarHBondContact O-N 3.37Å; N1764-S1766 VanDerWaalsContact C-N 3.35Å; N1764-E1767 PolarHBondContact O-N 2.75Å; N1764-L1768 PolarHBondContact O-N 2.9Å |
| 1765 | L | 53.1 | Low | 56.7 | Low | 94 Ų | 94 | 90.3 Ų | 90.3 | 49% | 0.492 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 169.1 | -159.2 | 81.8 | 0 | 0 | 0 | 109.5 | L1761 E1767 L1768 E1769 | L1761-L1765 WeakPolarHBondContact O-CB 2.99Å; L1761-L1765 PolarHBondContact O-N 3.45Å; L1765-E1767 PolarHBondContact O-N 2.89Å; L1765-L1768 PolarHBondContact O-N 3.2Å; L1765-E1769 VanDerWaalsContact O-CB 3.23Å; L1765-E1769 WeakPolarHBondContact O-CB 3.32Å; L1765-E1769 VanDerWaalsContact O-CG 3.32Å; L1765-E1769 WeakPolarHBondContact O-CG 3.46Å; L1765-E1769 PolarHBondContact O-N 2.69Å |
| 1766 | S | 59.3 | Low | 56.4 | Low | 54 Ų | 54 | 90.5 Ų | 90.5 | 38% | 0.378 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 174.5 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | L1762 P1763 N1764 T1770 | L1762-S1766 WeakPolarHBondContact O-CA 3.34Å; L1762-S1766 WeakPolarHBondContact O-CB 3.21Å; L1762-S1766 PolarHBondContact O-N 2.85Å; P1763-S1766 CarbonylContact O-C 3.56Å; N1764-S1766 VanDerWaalsContact C-N 3.35Å; S1766-T1770 WeakPolarHBondContact O-CA 3.02Å; S1766-T1770 VanDerWaalsContact O-CB 3.23Å; S1766-T1770 WeakPolarHBondContact O-CB 2.69Å; S1766-T1770 VanDerWaalsContact O-CG2 3.22Å; S1766-T1770 WeakPolarHBondContact O-CG2 3.22Å; S1766-T1770 PolarHBondContact O-N 3.18Å; S1766-T1770 PolarHBondContact O-OG1 2.91Å |
| 1767 | E | 60.9 | Low | 56.2 | Low | 78 Ų | 78 | 91.1 Ų | 91.1 | 36% | 0.364 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -76.7 | -31.3 | 178.8 | -174.2 | 52.7 | -146.3 | 0 | 0 | 111.2 | P1763 N1764 L1765 T1770 R1771 R1774 | P1763-E1767 WeakPolarHBondContact O-CB 3.38Å; P1763-E1767 PolarHBondContact O-N 2.85Å; N1764-E1767 PolarHBondContact O-N 2.75Å; L1765-E1767 PolarHBondContact O-N 2.89Å; E1767-T1770 WeakPolarHBondContact CA-OG1 3.31Å; E1767-T1770 PolarHBondContact OE2-OG1 2.74Å; E1767-R1771 WeakPolarHBondContact O-CB 3.43Å; E1767-R1771 WeakPolarHBondContact O-CG 3.28Å; E1767-R1771 PolarHBondContact O-N 3.06Å; E1767-R1771 WeakPolarHBondContact OE1-CD 3.44Å; E1767-R1771 WeakPolarHBondContact OE1-CG 3.34Å; E1767-R1774 IonicContact OE1-CZ 2.79Å; E1767-R1774 IonicContact OE1-NH1 3.32Å; E1767-R1774 PolarHBondContact OE1-NH1 3.07Å; E1767-R1774 IonicContact OE1-NH2 3.12Å; E1767-R1774 IonicContact OE2-CZ 3.62Å; E1767-R1774 IonicContact OE2-NH1 3.65Å; E1767-R1774 PolarHBondContact OE2-NH1 2.88Å; E1767-R1774 IonicContact OE2-NH2 3.7Å; E1767-R1774 PolarHBondContact OE2-NH2 2.66Å |
| 1768 | L | 48.8 | Very low | 56.5 | Low | 124 Ų | 124 | 94.3 Ų | 94.3 | 65% | 0.649 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -73.1 | -39.8 | 169 | -81.5 | 161.3 | 0 | 0 | 0 | 112.4 | N1764 L1765 R1771 L1772 | N1764-L1768 PolarHBondContact O-N 2.9Å; L1765-L1768 PolarHBondContact O-N 3.2Å; L1768-R1771 PolarHBondContact O-N 3.01Å; L1768-L1772 WeakPolarHBondContact O-CB 3.22Å; L1768-L1772 PolarHBondContact O-N 2.99Å |
| 1769 | E | 51.9 | Low | 56.7 | Low | 117 Ų | 117 | 92.8 Ų | 92.8 | 55% | 0.547 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70 | -35.7 | 173.9 | -75.7 | -172.6 | 146.7 | 0 | 0 | 111.1 | L1765 T1773 | L1765-E1769 VanDerWaalsContact O-CB 3.23Å; L1765-E1769 WeakPolarHBondContact O-CB 3.32Å; L1765-E1769 VanDerWaalsContact O-CG 3.32Å; L1765-E1769 WeakPolarHBondContact O-CG 3.46Å; L1765-E1769 PolarHBondContact O-N 2.69Å; E1769-T1773 WeakPolarHBondContact O-CA 3.17Å; E1769-T1773 WeakPolarHBondContact O-CB 3.1Å; E1769-T1773 VanDerWaalsContact O-CG2 3.26Å; E1769-T1773 WeakPolarHBondContact O-CG2 3.37Å; E1769-T1773 PolarHBondContact O-N 2.99Å; E1769-T1773 PolarHBondContact O-OG1 2.8Å |
| 1770 | T | 56.3 | Low | 57 | Low | 37 Ų | 37 | 93 Ų | 93 | 23% | 0.227 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -79.9 | -25.6 | 173.2 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | S1766 E1767 T1773 R1774 | S1766-T1770 WeakPolarHBondContact O-CA 3.02Å; S1766-T1770 VanDerWaalsContact O-CB 3.23Å; S1766-T1770 WeakPolarHBondContact O-CB 2.69Å; S1766-T1770 VanDerWaalsContact O-CG2 3.22Å; S1766-T1770 WeakPolarHBondContact O-CG2 3.22Å; S1766-T1770 PolarHBondContact O-N 3.18Å; S1766-T1770 PolarHBondContact O-OG1 2.91Å; E1767-T1770 WeakPolarHBondContact CA-OG1 3.31Å; E1767-T1770 PolarHBondContact OE2-OG1 2.74Å; T1770-T1773 WeakPolarHBondContact CA-OG1 3.36Å; T1770-R1774 WeakPolarHBondContact O-CA 3.07Å; T1770-R1774 WeakPolarHBondContact O-CB 3.18Å; T1770-R1774 VanDerWaalsContact O-CD 3.27Å; T1770-R1774 WeakPolarHBondContact O-CD 3.06Å; T1770-R1774 WeakPolarHBondContact O-CG 3.47Å; T1770-R1774 PolarHBondContact O-N 2.8Å; T1770-R1774 VanDerWaalsContact OG1-CZ 3.31Å; T1770-R1774 PolarHBondContact OG1-NH2 2.62Å |
| 1771 | R | 60.5 | Low | 57.4 | Low | 154 Ų | 154 | 92.3 Ų | 92.3 | 58% | 0.581 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -76 | -37.1 | 169.1 | -75.4 | 173.8 | 64.1 | 178.5 | 1.5 | 111.5 | E1767 L1768 T1775 | E1767-R1771 WeakPolarHBondContact O-CB 3.43Å; E1767-R1771 WeakPolarHBondContact O-CG 3.28Å; E1767-R1771 PolarHBondContact O-N 3.06Å; E1767-R1771 WeakPolarHBondContact OE1-CD 3.44Å; E1767-R1771 WeakPolarHBondContact OE1-CG 3.34Å; L1768-R1771 PolarHBondContact O-N 3.01Å; R1771-T1775 WeakPolarHBondContact O-CB 3.28Å; R1771-T1775 WeakPolarHBondContact O-CG2 3.45Å; R1771-T1775 PolarHBondContact O-N 3.27Å; R1771-T1775 PolarHBondContact O-OG1 3.38Å |
| 1772 | L | 57.4 | Low | 58 | Low | 110 Ų | 110 | 89.8 Ų | 89.8 | 58% | 0.576 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.7 | -46.5 | 170.1 | -174.2 | 63.2 | 0 | 0 | 0 | 110.4 | L1768 T1775 Q1776 | L1768-L1772 WeakPolarHBondContact O-CB 3.22Å; L1768-L1772 PolarHBondContact O-N 2.99Å; L1772-T1775 PolarHBondContact O-OG1 2.74Å; L1772-Q1776 WeakPolarHBondContact O-CA 3.24Å; L1772-Q1776 WeakPolarHBondContact O-CB 3.24Å; L1772-Q1776 PolarHBondContact O-N 3.22Å |
| 1773 | T | 53.9 | Low | 58.2 | Low | 83 Ų | 83 | 88 Ų | 88 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -75.7 | -28.9 | 177.4 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | E1769 T1770 H1777 | E1769-T1773 WeakPolarHBondContact O-CA 3.17Å; E1769-T1773 WeakPolarHBondContact O-CB 3.1Å; E1769-T1773 VanDerWaalsContact O-CG2 3.26Å; E1769-T1773 WeakPolarHBondContact O-CG2 3.37Å; E1769-T1773 PolarHBondContact O-N 2.99Å; E1769-T1773 PolarHBondContact O-OG1 2.8Å; T1770-T1773 WeakPolarHBondContact CA-OG1 3.36Å; T1773-H1777 WeakPolarHBondContact O-CA 3.46Å; T1773-H1777 WeakPolarHBondContact O-CB 3.37Å; T1773-H1777 PolarHBondContact O-N 2.97Å |
| 1774 | R | 67.6 | Low | 58.2 | Low | 117 Ų | 117 | 89.2 Ų | 89.2 | 44% | 0.442 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.5 | -51.6 | 169.2 | -75.4 | 163.4 | -153.9 | 143.1 | 2.9 | 108.8 | E1767 T1770 H1777 D1778 | E1767-R1774 IonicContact OE1-CZ 2.79Å; E1767-R1774 IonicContact OE1-NH1 3.32Å; E1767-R1774 PolarHBondContact OE1-NH1 3.07Å; E1767-R1774 IonicContact OE1-NH2 3.12Å; E1767-R1774 IonicContact OE2-CZ 3.62Å; E1767-R1774 IonicContact OE2-NH1 3.65Å; E1767-R1774 PolarHBondContact OE2-NH1 2.88Å; E1767-R1774 IonicContact OE2-NH2 3.7Å; E1767-R1774 PolarHBondContact OE2-NH2 2.66Å; T1770-R1774 WeakPolarHBondContact O-CA 3.07Å; T1770-R1774 WeakPolarHBondContact O-CB 3.18Å; T1770-R1774 VanDerWaalsContact O-CD 3.27Å; T1770-R1774 WeakPolarHBondContact O-CD 3.06Å; T1770-R1774 WeakPolarHBondContact O-CG 3.47Å; T1770-R1774 PolarHBondContact O-N 2.8Å; T1770-R1774 VanDerWaalsContact OG1-CZ 3.31Å; T1770-R1774 PolarHBondContact OG1-NH2 2.62Å; R1774-H1777 CarbonylContact O-C 3.42Å; R1774-H1777 PolarHBondContact O-N 2.86Å; R1774-H1777 VanDerWaalsContact O-N 3.17Å; R1774-D1778 WeakPolarHBondContact O-CB 2.88Å; R1774-D1778 PolarHBondContact O-N 3.03Å; R1774-D1778 VanDerWaalsContact O-OD2 3.08Å |
| 1775 | T | 54.1 | Low | 59 | Low | 76 Ų | 76 | 93.3 Ų | 93.3 | 47% | 0.466 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 179 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | R1771 L1772 H1777 D1778 I1779 | R1771-T1775 WeakPolarHBondContact O-CB 3.28Å; R1771-T1775 WeakPolarHBondContact O-CG2 3.45Å; R1771-T1775 PolarHBondContact O-N 3.27Å; R1771-T1775 PolarHBondContact O-OG1 3.38Å; L1772-T1775 PolarHBondContact O-OG1 2.74Å; T1775-H1777 VanDerWaalsContact C-N 3.32Å; T1775-D1778 PolarHBondContact O-N 3.38Å; T1775-I1779 WeakPolarHBondContact O-CB 3.38Å; T1775-I1779 WeakPolarHBondContact O-CD1 3.33Å; T1775-I1779 WeakPolarHBondContact O-CG1 3.25Å; T1775-I1779 PolarHBondContact O-N 3.35Å |
| 1776 | Q | 56.4 | Low | 59.4 | Low | 96 Ų | 96 | 93.2 Ų | 93.2 | 45% | 0.449 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 170.8 | -175.7 | 86.7 | 28.3 | 0 | 0 | 110.7 | L1772 I1779 E1780 | L1772-Q1776 WeakPolarHBondContact O-CA 3.24Å; L1772-Q1776 WeakPolarHBondContact O-CB 3.24Å; L1772-Q1776 PolarHBondContact O-N 3.22Å; Q1776-I1779 CarbonylContact O-C 3.54Å; Q1776-E1780 WeakPolarHBondContact CG-OE1 3.3Å; Q1776-E1780 PolarHBondContact NE2-OE1 2.87Å; Q1776-E1780 VanDerWaalsContact NE2-OE1 3.13Å; Q1776-E1780 WeakPolarHBondContact O-CB 3.17Å; Q1776-E1780 WeakPolarHBondContact O-CG 3.49Å; Q1776-E1780 PolarHBondContact O-N 3.21Å |
| 1777 | H | 63.8 | Low | 59.7 | Low | 110 Ų | 110 | 95.4 Ų | 95.4 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -77.1 | -33.2 | 177.1 | -170.4 | 64.1 | 0 | 0 | 0 | 112.3 | T1773 R1774 T1775 I1779 E1780 V1781 | T1773-H1777 WeakPolarHBondContact O-CA 3.46Å; T1773-H1777 WeakPolarHBondContact O-CB 3.37Å; T1773-H1777 PolarHBondContact O-N 2.97Å; R1774-H1777 CarbonylContact O-C 3.42Å; R1774-H1777 PolarHBondContact O-N 2.86Å; R1774-H1777 VanDerWaalsContact O-N 3.17Å; T1775-H1777 VanDerWaalsContact C-N 3.32Å; H1777-I1779 VanDerWaalsContact C-N 3.33Å; H1777-E1780 CarbonylContact O-C 3.19Å; H1777-E1780 PolarHBondContact O-N 2.73Å; H1777-V1781 WeakPolarHBondContact CE1-CG2 3.01Å; H1777-V1781 WeakPolarHBondContact O-CA 3.37Å; H1777-V1781 WeakPolarHBondContact O-CB 3.12Å; H1777-V1781 WeakPolarHBondContact O-CG2 3.29Å; H1777-V1781 PolarHBondContact O-N 3.02Å |
| 1778 | D | 62 | Low | 59.9 | Low | 102 Ų | 102 | 94.4 Ų | 94.4 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.1 | -37.6 | 171.9 | -69.2 | -37.6 | 0 | 0 | 0 | 109.8 | R1774 T1775 S1782 | R1774-D1778 WeakPolarHBondContact O-CB 2.88Å; R1774-D1778 PolarHBondContact O-N 3.03Å; R1774-D1778 VanDerWaalsContact O-OD2 3.08Å; T1775-D1778 PolarHBondContact O-N 3.38Å; D1778-S1782 WeakPolarHBondContact O-CA 2.98Å; D1778-S1782 WeakPolarHBondContact O-CB 3.28Å; D1778-S1782 PolarHBondContact O-N 2.75Å; D1778-S1782 PolarHBondContact O-OG 2.92Å |
| 1779 | I | 57.7 | Low | 60.5 | Low | 109 Ų | 109 | 92.8 Ų | 92.8 | 56% | 0.559 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.5 | -43.1 | 169 | -70.1 | 166.4 | 0 | 0 | 0 | 110.2 | T1775 Q1776 H1777 S1782 A1783 | T1775-I1779 WeakPolarHBondContact O-CB 3.38Å; T1775-I1779 WeakPolarHBondContact O-CD1 3.33Å; T1775-I1779 WeakPolarHBondContact O-CG1 3.25Å; T1775-I1779 PolarHBondContact O-N 3.35Å; Q1776-I1779 CarbonylContact O-C 3.54Å; H1777-I1779 VanDerWaalsContact C-N 3.33Å; I1779-S1782 PolarHBondContact O-OG 3.3Å; I1779-A1783 WeakPolarHBondContact O-CA 3.2Å; I1779-A1783 WeakPolarHBondContact O-CB 3.28Å; I1779-A1783 PolarHBondContact O-N 3.26Å |
| 1780 | E | 62.1 | Low | 60.7 | Low | 86 Ų | 86 | 92 Ų | 92 | 40% | 0.402 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.6 | -27.9 | 179.7 | -79.3 | 166.8 | -170.4 | 0 | 0 | 113 | Q1776 H1777 A1783 E1784 R1787 | Q1776-E1780 WeakPolarHBondContact CG-OE1 3.3Å; Q1776-E1780 PolarHBondContact NE2-OE1 2.87Å; Q1776-E1780 VanDerWaalsContact NE2-OE1 3.13Å; Q1776-E1780 WeakPolarHBondContact O-CB 3.17Å; Q1776-E1780 WeakPolarHBondContact O-CG 3.49Å; Q1776-E1780 PolarHBondContact O-N 3.21Å; H1777-E1780 CarbonylContact O-C 3.19Å; H1777-E1780 PolarHBondContact O-N 2.73Å; E1780-A1783 CarbonylContact O-C 3.2Å; E1780-E1784 WeakPolarHBondContact O-CA 3.41Å; E1780-E1784 WeakPolarHBondContact O-CB 3.24Å; E1780-E1784 PolarHBondContact O-N 2.59Å; E1780-R1787 PolarHBondContact O-NH2 2.6Å |
| 1781 | V | 68.1 | Low | 61.1 | Low | 45 Ų | 45 | 95.7 Ų | 95.7 | 27% | 0.273 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -94.7 | -31.1 | -180 | 169.9 | 0 | 0 | 0 | 0 | 112 | H1777 A1783 E1784 R1785 | H1777-V1781 WeakPolarHBondContact CE1-CG2 3.01Å; H1777-V1781 WeakPolarHBondContact O-CA 3.37Å; H1777-V1781 WeakPolarHBondContact O-CB 3.12Å; H1777-V1781 WeakPolarHBondContact O-CG2 3.29Å; H1777-V1781 PolarHBondContact O-N 3.02Å; V1781-A1783 VanDerWaalsContact C-N 3.29Å; V1781-E1784 PolarHBondContact O-N 2.96Å; V1781-R1785 VanDerWaalsContact O-CB 3.31Å; V1781-R1785 WeakPolarHBondContact O-CB 3.31Å; V1781-R1785 VanDerWaalsContact O-CG 3.28Å; V1781-R1785 WeakPolarHBondContact O-CG 3.36Å; V1781-R1785 PolarHBondContact O-N 2.63Å |
| 1782 | S | 64.2 | Low | 60.8 | Low | 61 Ų | 61 | 93.7 Ų | 93.7 | 43% | 0.427 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 160.5 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | D1778 I1779 E1784 I1786 | D1778-S1782 WeakPolarHBondContact O-CA 2.98Å; D1778-S1782 WeakPolarHBondContact O-CB 3.28Å; D1778-S1782 PolarHBondContact O-N 2.75Å; D1778-S1782 PolarHBondContact O-OG 2.92Å; I1779-S1782 PolarHBondContact O-OG 3.3Å; S1782-E1784 VanDerWaalsContact C-N 3.35Å; S1782-I1786 VanDerWaalsContact O-CB 3.29Å; S1782-I1786 WeakPolarHBondContact O-CB 3.23Å; S1782-I1786 WeakPolarHBondContact O-CD1 3.48Å; S1782-I1786 WeakPolarHBondContact O-CG1 3.4Å; S1782-I1786 PolarHBondContact O-N 2.7Å |
| 1783 | A | 56.8 | Low | 61 | Low | 30 Ų | 30 | 96.6 Ų | 96.6 | 25% | 0.248 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -72.8 | -20.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1779 E1780 V1781 R1787 | I1779-A1783 WeakPolarHBondContact O-CA 3.2Å; I1779-A1783 WeakPolarHBondContact O-CB 3.28Å; I1779-A1783 PolarHBondContact O-N 3.26Å; E1780-A1783 CarbonylContact O-C 3.2Å; V1781-A1783 VanDerWaalsContact C-N 3.29Å; A1783-R1787 VanDerWaalsContact CB-NH1 3.27Å; A1783-R1787 WeakPolarHBondContact O-CA 3.21Å; A1783-R1787 WeakPolarHBondContact O-CB 3.23Å; A1783-R1787 WeakPolarHBondContact O-CG 3.48Å; A1783-R1787 PolarHBondContact O-N 2.66Å; A1783-R1787 PolarHBondContact O-NH1 2.75Å; A1783-R1787 VanDerWaalsContact O-NH1 3.17Å |
| 1784 | E | 54.8 | Low | 61.4 | Low | 95 Ų | 95 | 97.1 Ų | 97.1 | 44% | 0.444 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -82.8 | -37 | 173.2 | -159.8 | 67.1 | -92.8 | 0 | 0 | 110.3 | E1780 V1781 S1782 I1786 R1787 S1788 | E1780-E1784 WeakPolarHBondContact O-CA 3.41Å; E1780-E1784 WeakPolarHBondContact O-CB 3.24Å; E1780-E1784 PolarHBondContact O-N 2.59Å; V1781-E1784 PolarHBondContact O-N 2.96Å; S1782-E1784 VanDerWaalsContact C-N 3.35Å; E1784-I1786 VanDerWaalsContact C-N 3.33Å; E1784-R1787 VanDerWaalsContact CD-NE 3.32Å; E1784-R1787 CarbonylContact O-C 3.54Å; E1784-R1787 PolarHBondContact O-N 2.98Å; E1784-R1787 WeakPolarHBondContact OE1-CB 3.38Å; E1784-R1787 IonicContact OE1-CZ 3.6Å; E1784-R1787 IonicContact OE1-NE 3.41Å; E1784-R1787 PolarHBondContact OE1-NE 2.94Å; E1784-R1787 IonicContact OE1-NH2 3.2Å; E1784-R1787 PolarHBondContact OE1-NH2 3.22Å; E1784-R1787 IonicContact OE2-CZ 2.65Å; E1784-R1787 IonicContact OE2-NE 2.97Å; E1784-R1787 PolarHBondContact OE2-NE 2.99Å; E1784-R1787 IonicContact OE2-NH2 3.22Å; E1784-R1787 PolarHBondContact OE2-NH2 2.92Å; E1784-S1788 WeakPolarHBondContact O-CA 3.2Å; E1784-S1788 WeakPolarHBondContact O-CB 3.45Å; E1784-S1788 PolarHBondContact O-N 2.82Å |
| 1785 | R | 68.5 | Low | 60.8 | Low | 182 Ų | 182 | 94.1 Ų | 94.1 | 69% | 0.687 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.7 | -36 | 167.8 | -72 | 177.4 | -175.4 | -158.2 | 1.6 | 111.1 | V1781 S1788 D1789 | V1781-R1785 VanDerWaalsContact O-CB 3.31Å; V1781-R1785 WeakPolarHBondContact O-CB 3.31Å; V1781-R1785 VanDerWaalsContact O-CG 3.28Å; V1781-R1785 WeakPolarHBondContact O-CG 3.36Å; V1781-R1785 PolarHBondContact O-N 2.63Å; R1785-S1788 PolarHBondContact O-N 3.45Å; R1785-D1789 WeakPolarHBondContact O-CA 3.38Å; R1785-D1789 WeakPolarHBondContact O-CB 3.33Å; R1785-D1789 PolarHBondContact O-N 3.17Å |
| 1786 | I | 61.4 | Low | 61.1 | Low | 92 Ų | 92 | 95.7 Ų | 95.7 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.1 | -40.2 | 170.1 | -70 | 163.4 | 0 | 0 | 0 | 110.4 | S1782 E1784 S1788 Q1790 | S1782-I1786 VanDerWaalsContact O-CB 3.29Å; S1782-I1786 WeakPolarHBondContact O-CB 3.23Å; S1782-I1786 WeakPolarHBondContact O-CD1 3.48Å; S1782-I1786 WeakPolarHBondContact O-CG1 3.4Å; S1782-I1786 PolarHBondContact O-N 2.7Å; E1784-I1786 VanDerWaalsContact C-N 3.33Å; I1786-S1788 VanDerWaalsContact C-N 3.27Å; I1786-S1788 PolarHBondContact O-N 2.72Å; I1786-Q1790 HydrophobicContact CG2-CG 4.38Å; I1786-Q1790 WeakPolarHBondContact O-CA 3.24Å; I1786-Q1790 WeakPolarHBondContact O-CB 3.24Å; I1786-Q1790 WeakPolarHBondContact O-CG 2.88Å; I1786-Q1790 PolarHBondContact O-N 3.29Å |
| 1787 | R | 66.8 | Low | 61.2 | Low | 100 Ų | 100 | 97 Ų | 97 | 38% | 0.377 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.4 | -24.6 | 173.6 | -83.6 | -175.3 | -57.5 | -81.4 | 4.9 | 112.8 | E1780 A1783 E1784 Q1790 H1791 | E1780-R1787 PolarHBondContact O-NH2 2.6Å; A1783-R1787 VanDerWaalsContact CB-NH1 3.27Å; A1783-R1787 WeakPolarHBondContact O-CA 3.21Å; A1783-R1787 WeakPolarHBondContact O-CB 3.23Å; A1783-R1787 WeakPolarHBondContact O-CG 3.48Å; A1783-R1787 PolarHBondContact O-N 2.66Å; A1783-R1787 PolarHBondContact O-NH1 2.75Å; A1783-R1787 VanDerWaalsContact O-NH1 3.17Å; E1784-R1787 VanDerWaalsContact CD-NE 3.32Å; E1784-R1787 CarbonylContact O-C 3.54Å; E1784-R1787 PolarHBondContact O-N 2.98Å; E1784-R1787 WeakPolarHBondContact OE1-CB 3.38Å; E1784-R1787 IonicContact OE1-CZ 3.6Å; E1784-R1787 IonicContact OE1-NE 3.41Å; E1784-R1787 PolarHBondContact OE1-NE 2.94Å; E1784-R1787 IonicContact OE1-NH2 3.2Å; E1784-R1787 PolarHBondContact OE1-NH2 3.22Å; E1784-R1787 IonicContact OE2-CZ 2.65Å; E1784-R1787 IonicContact OE2-NE 2.97Å; E1784-R1787 PolarHBondContact OE2-NE 2.99Å; E1784-R1787 IonicContact OE2-NH2 3.22Å; E1784-R1787 PolarHBondContact OE2-NH2 2.92Å; R1787-Q1790 CarbonylContact O-C 3.58Å; R1787-H1791 WeakPolarHBondContact O-CA 3.3Å; R1787-H1791 VanDerWaalsContact O-CB 3.23Å; R1787-H1791 WeakPolarHBondContact O-CB 3.18Å; R1787-H1791 PolarHBondContact O-N 2.9Å |
| 1788 | S | 63.8 | Low | 61.1 | Low | 56 Ų | 56 | 99.1 Ų | 99.1 | 39% | 0.392 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -100.4 | -27.5 | -176.9 | -172 | 0 | 0 | 0 | 0 | 112.6 | E1784 R1785 I1786 Q1790 H1791 L1792 | E1784-S1788 WeakPolarHBondContact O-CA 3.2Å; E1784-S1788 WeakPolarHBondContact O-CB 3.45Å; E1784-S1788 PolarHBondContact O-N 2.82Å; R1785-S1788 PolarHBondContact O-N 3.45Å; I1786-S1788 VanDerWaalsContact C-N 3.27Å; I1786-S1788 PolarHBondContact O-N 2.72Å; S1788-Q1790 VanDerWaalsContact C-N 3.29Å; S1788-H1791 PolarHBondContact O-N 2.68Å; S1788-L1792 VanDerWaalsContact O-CB 3.23Å; S1788-L1792 WeakPolarHBondContact O-CB 3.22Å; S1788-L1792 VanDerWaalsContact O-CG 3.28Å; S1788-L1792 WeakPolarHBondContact O-CG 3.22Å; S1788-L1792 PolarHBondContact O-N 2.63Å |
| 1789 | D | 61.8 | Low | 60.9 | Low | 91 Ų | 91 | 98.6 Ų | 98.6 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.3 | -35.7 | 156.8 | -83.3 | 6.9 | 0 | 0 | 0 | 108.9 | R1785 R1793 | R1785-D1789 WeakPolarHBondContact O-CA 3.38Å; R1785-D1789 WeakPolarHBondContact O-CB 3.33Å; R1785-D1789 PolarHBondContact O-N 3.17Å; D1789-R1793 WeakPolarHBondContact O-CB 2.91Å; D1789-R1793 WeakPolarHBondContact O-CD 3.33Å; D1789-R1793 WeakPolarHBondContact O-CG 3.18Å; D1789-R1793 PolarHBondContact O-N 2.94Å |
| 1790 | Q | 57.1 | Low | 61.3 | Low | 101 Ų | 101 | 96.5 Ų | 96.5 | 47% | 0.472 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72.5 | -29.8 | 167.6 | -74.4 | 167.1 | -5.3 | 0 | 0 | 111.5 | I1786 R1787 S1788 R1793 L1794 | I1786-Q1790 HydrophobicContact CG2-CG 4.38Å; I1786-Q1790 WeakPolarHBondContact O-CA 3.24Å; I1786-Q1790 WeakPolarHBondContact O-CB 3.24Å; I1786-Q1790 WeakPolarHBondContact O-CG 2.88Å; I1786-Q1790 PolarHBondContact O-N 3.29Å; R1787-Q1790 CarbonylContact O-C 3.58Å; S1788-Q1790 VanDerWaalsContact C-N 3.29Å; Q1790-R1793 CarbonylContact O-C 3.08Å; Q1790-L1794 WeakPolarHBondContact O-CA 3.21Å; Q1790-L1794 WeakPolarHBondContact O-CB 3.41Å; Q1790-L1794 WeakPolarHBondContact O-CD1 3.26Å; Q1790-L1794 WeakPolarHBondContact O-CG 3.04Å; Q1790-L1794 PolarHBondContact O-N 2.98Å |
| 1791 | H | 63.7 | Low | 61.2 | Low | 113 Ų | 113 | 94.1 Ų | 94.1 | 52% | 0.523 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -75.3 | -43.8 | 176.8 | -149.3 | -57.8 | 0 | 0 | 0 | 108.7 | R1787 S1788 R1793 L1794 E1795 | R1787-H1791 WeakPolarHBondContact O-CA 3.3Å; R1787-H1791 VanDerWaalsContact O-CB 3.23Å; R1787-H1791 WeakPolarHBondContact O-CB 3.18Å; R1787-H1791 PolarHBondContact O-N 2.9Å; S1788-H1791 PolarHBondContact O-N 2.68Å; H1791-R1793 VanDerWaalsContact C-N 3.34Å; H1791-L1794 CarbonylContact O-C 3.24Å; H1791-L1794 VanDerWaalsContact O-C 3.27Å; H1791-L1794 WeakPolarHBondContact O-CA 3.38Å; H1791-L1794 PolarHBondContact O-N 2.83Å; H1791-L1794 VanDerWaalsContact O-N 3.14Å; H1791-E1795 IonicContact CE1-OE2 2.63Å; H1791-E1795 PolarHBondContact CE1-OE2 2.76Å; H1791-E1795 IonicContact ND1-OE2 3.82Å; H1791-E1795 PolarHBondContact ND1-OE2 2.71Å; H1791-E1795 WeakPolarHBondContact O-CA 2.89Å; H1791-E1795 WeakPolarHBondContact O-CB 2.91Å; H1791-E1795 PolarHBondContact O-N 3.21Å |
| 1792 | L | 55.2 | Low | 60.8 | Low | 112 Ų | 112 | 94.8 Ų | 94.8 | 59% | 0.586 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.1 | -36.2 | 171.2 | -75.2 | 165.8 | 0 | 0 | 0 | 111.8 | S1788 E1795 D1796 | S1788-L1792 VanDerWaalsContact O-CB 3.23Å; S1788-L1792 WeakPolarHBondContact O-CB 3.22Å; S1788-L1792 VanDerWaalsContact O-CG 3.28Å; S1788-L1792 WeakPolarHBondContact O-CG 3.22Å; S1788-L1792 PolarHBondContact O-N 2.63Å; L1792-E1795 CarbonylContact O-C 3.25Å; L1792-E1795 PolarHBondContact O-N 2.71Å; L1792-D1796 VanDerWaalsContact O-CB 3.25Å; L1792-D1796 WeakPolarHBondContact O-CB 2.96Å; L1792-D1796 PolarHBondContact O-N 2.63Å |
| 1793 | R | 61.3 | Low | 60.7 | Low | 171 Ų | 171 | 99.3 Ų | 99.3 | 65% | 0.645 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -72.4 | -29.9 | 169.7 | -74.4 | 170 | -163.5 | -161.5 | 7.1 | 113 | D1789 Q1790 H1791 E1795 D1796 E1797 | D1789-R1793 WeakPolarHBondContact O-CB 2.91Å; D1789-R1793 WeakPolarHBondContact O-CD 3.33Å; D1789-R1793 WeakPolarHBondContact O-CG 3.18Å; D1789-R1793 PolarHBondContact O-N 2.94Å; Q1790-R1793 CarbonylContact O-C 3.08Å; H1791-R1793 VanDerWaalsContact C-N 3.34Å; R1793-E1795 VanDerWaalsContact C-N 3.32Å; R1793-D1796 CarbonylContact O-C 3.32Å; R1793-E1797 WeakPolarHBondContact O-CA 3.42Å; R1793-E1797 WeakPolarHBondContact O-CB 3.27Å; R1793-E1797 PolarHBondContact O-N 3.03Å |
| 1794 | L | 62.7 | Low | 61 | Low | 95 Ų | 95 | 100.9 Ų | 100.9 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -81.5 | -13.4 | 171.7 | -74.3 | 165.2 | 0 | 0 | 0 | 111.4 | Q1790 H1791 E1797 R1798 | Q1790-L1794 WeakPolarHBondContact O-CA 3.21Å; Q1790-L1794 WeakPolarHBondContact O-CB 3.41Å; Q1790-L1794 WeakPolarHBondContact O-CD1 3.26Å; Q1790-L1794 WeakPolarHBondContact O-CG 3.04Å; Q1790-L1794 PolarHBondContact O-N 2.98Å; H1791-L1794 CarbonylContact O-C 3.24Å; H1791-L1794 VanDerWaalsContact O-C 3.27Å; H1791-L1794 WeakPolarHBondContact O-CA 3.38Å; H1791-L1794 PolarHBondContact O-N 2.83Å; H1791-L1794 VanDerWaalsContact O-N 3.14Å; L1794-E1797 CarbonylContact O-C 3.29Å; L1794-R1798 WeakPolarHBondContact O-CA 2.87Å; L1794-R1798 WeakPolarHBondContact O-CB 3.38Å; L1794-R1798 PolarHBondContact O-N 2.91Å |
| 1795 | E | 54.5 | Low | 61.5 | Low | 53 Ų | 53 | 97 Ų | 97 | 25% | 0.248 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -93.9 | -32.2 | 172.7 | -140.6 | 67.5 | -132.8 | 0 | 0 | 109.5 | H1791 L1792 R1793 R1798 L1799 | H1791-E1795 IonicContact CE1-OE2 2.63Å; H1791-E1795 PolarHBondContact CE1-OE2 2.76Å; H1791-E1795 IonicContact ND1-OE2 3.82Å; H1791-E1795 PolarHBondContact ND1-OE2 2.71Å; H1791-E1795 WeakPolarHBondContact O-CA 2.89Å; H1791-E1795 WeakPolarHBondContact O-CB 2.91Å; H1791-E1795 PolarHBondContact O-N 3.21Å; L1792-E1795 CarbonylContact O-C 3.25Å; L1792-E1795 PolarHBondContact O-N 2.71Å; R1793-E1795 VanDerWaalsContact C-N 3.32Å; E1795-R1798 CarbonylContact O-C 3.12Å; E1795-R1798 IonicContact OE1-CZ 3.84Å; E1795-R1798 IonicContact OE1-NE 2.94Å; E1795-R1798 PolarHBondContact OE1-NE 2.97Å; E1795-R1798 IonicContact OE1-NH2 3.25Å; E1795-R1798 PolarHBondContact OE1-NH2 2.96Å; E1795-L1799 WeakPolarHBondContact O-CA 3.49Å; E1795-L1799 WeakPolarHBondContact O-CB 3.43Å; E1795-L1799 WeakPolarHBondContact O-CG 3.38Å; E1795-L1799 PolarHBondContact O-N 3.47Å |
| 1796 | D | 59.8 | Low | 61.1 | Low | 109 Ų | 109 | 91.1 Ų | 91.1 | 58% | 0.583 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -73.8 | -27.9 | 162.7 | -90.6 | -24.7 | 0 | 0 | 0 | 111.1 | L1792 R1793 S1800 | L1792-D1796 VanDerWaalsContact O-CB 3.25Å; L1792-D1796 WeakPolarHBondContact O-CB 2.96Å; L1792-D1796 PolarHBondContact O-N 2.63Å; R1793-D1796 CarbonylContact O-C 3.32Å; D1796-S1800 VanDerWaalsContact O-CA 3.25Å; D1796-S1800 WeakPolarHBondContact O-CA 3.17Å; D1796-S1800 WeakPolarHBondContact O-CB 3.04Å; D1796-S1800 PolarHBondContact O-N 2.8Å |
| 1797 | E | 58.4 | Low | 61.1 | Low | 125 Ų | 125 | 90.3 Ų | 90.3 | 58% | 0.584 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -92 | -13.5 | 173 | -172.1 | 172.3 | -125.3 | 0 | 0 | 110.8 | R1793 L1794 A1801 | R1793-E1797 WeakPolarHBondContact O-CA 3.42Å; R1793-E1797 WeakPolarHBondContact O-CB 3.27Å; R1793-E1797 PolarHBondContact O-N 3.03Å; L1794-E1797 CarbonylContact O-C 3.29Å; E1797-A1801 VanDerWaalsContact O-CA 3.24Å; E1797-A1801 WeakPolarHBondContact O-CA 3.37Å; E1797-A1801 WeakPolarHBondContact O-CB 3.32Å; E1797-A1801 PolarHBondContact O-N 3.3Å |
| 1798 | R | 61.5 | Low | 61.2 | Low | 154 Ų | 154 | 86 Ų | 86 | 58% | 0.581 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -97.4 | -9.8 | 162.7 | -168.7 | -179.9 | 84.6 | 100.3 | -1.8 | 112.6 | L1794 E1795 A1801 T1802 | L1794-R1798 WeakPolarHBondContact O-CA 2.87Å; L1794-R1798 WeakPolarHBondContact O-CB 3.38Å; L1794-R1798 PolarHBondContact O-N 2.91Å; E1795-R1798 CarbonylContact O-C 3.12Å; E1795-R1798 IonicContact OE1-CZ 3.84Å; E1795-R1798 IonicContact OE1-NE 2.94Å; E1795-R1798 PolarHBondContact OE1-NE 2.97Å; E1795-R1798 IonicContact OE1-NH2 3.25Å; E1795-R1798 PolarHBondContact OE1-NH2 2.96Å; R1798-A1801 CarbonylContact O-C 3.48Å; R1798-A1801 VanDerWaalsContact O-C 3.29Å; R1798-T1802 VanDerWaalsContact C-N 3.34Å; R1798-T1802 WeakPolarHBondContact O-CA 3.25Å; R1798-T1802 WeakPolarHBondContact O-CB 3.33Å; R1798-T1802 PolarHBondContact O-N 2.72Å; R1798-T1802 PolarHBondContact O-OG1 2.85Å |
| 1799 | L | 58.4 | Low | 61.3 | Low | 90 Ų | 90 | 85.3 Ų | 85.3 | 47% | 0.471 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -92.9 | -27.5 | 159.3 | -88.4 | 158.6 | 0 | 0 | 0 | 110.3 | E1795 T1802 R1803 | E1795-L1799 WeakPolarHBondContact O-CA 3.49Å; E1795-L1799 WeakPolarHBondContact O-CB 3.43Å; E1795-L1799 WeakPolarHBondContact O-CG 3.38Å; E1795-L1799 PolarHBondContact O-N 3.47Å; L1799-T1802 CarbonylContact O-C 3.07Å; L1799-T1802 PolarHBondContact O-N 2.7Å; L1799-R1803 WeakPolarHBondContact O-CA 3.42Å; L1799-R1803 WeakPolarHBondContact O-CB 3.32Å; L1799-R1803 WeakPolarHBondContact O-CD 3.42Å; L1799-R1803 WeakPolarHBondContact O-CG 3.33Å; L1799-R1803 PolarHBondContact O-N 3.43Å |
| 1800 | S | 65.4 | Low | 61.3 | Low | 66 Ų | 66 | 82.9 Ų | 82.9 | 46% | 0.462 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -83.9 | -18.4 | 166.3 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | D1796 R1803 Q1804 | D1796-S1800 VanDerWaalsContact O-CA 3.25Å; D1796-S1800 WeakPolarHBondContact O-CA 3.17Å; D1796-S1800 WeakPolarHBondContact O-CB 3.04Å; D1796-S1800 PolarHBondContact O-N 2.8Å; S1800-R1803 CarbonylContact O-C 3.35Å; S1800-R1803 VanDerWaalsContact O-O 3.07Å; S1800-Q1804 VanDerWaalsContact O-CA 3.32Å; S1800-Q1804 WeakPolarHBondContact O-CA 3.4Å; S1800-Q1804 WeakPolarHBondContact O-CB 3.13Å; S1800-Q1804 PolarHBondContact O-N 3.45Å |
| 1801 | A | 60.9 | Low | 61.7 | Low | 35 Ų | 35 | 79.9 Ų | 79.9 | 29% | 0.289 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -110.2 | 23.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1797 R1798 Q1804 A1805 | E1797-A1801 VanDerWaalsContact O-CA 3.24Å; E1797-A1801 WeakPolarHBondContact O-CA 3.37Å; E1797-A1801 WeakPolarHBondContact O-CB 3.32Å; E1797-A1801 PolarHBondContact O-N 3.3Å; R1798-A1801 CarbonylContact O-C 3.48Å; R1798-A1801 VanDerWaalsContact O-C 3.29Å; A1801-Q1804 HydrophobicContact CB-CB 4.26Å; A1801-A1805 VanDerWaalsContact CA-N 3.31Å; A1801-A1805 WeakPolarHBondContact O-CA 3.34Å; A1801-A1805 WeakPolarHBondContact O-CB 3.1Å; A1801-A1805 PolarHBondContact O-N 3.1Å |
| 1802 | T | 60.4 | Low | 61.9 | Low | 60 Ų | 60 | 77.1 Ų | 77.1 | 37% | 0.368 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -118.8 | 13.5 | 141.7 | -51.1 | 0 | 0 | 0 | 0 | 110.3 | R1798 L1799 A1805 E1806 | R1798-T1802 VanDerWaalsContact C-N 3.34Å; R1798-T1802 WeakPolarHBondContact O-CA 3.25Å; R1798-T1802 WeakPolarHBondContact O-CB 3.33Å; R1798-T1802 PolarHBondContact O-N 2.72Å; R1798-T1802 PolarHBondContact O-OG1 2.85Å; L1799-T1802 CarbonylContact O-C 3.07Å; L1799-T1802 PolarHBondContact O-N 2.7Å; T1802-A1805 VanDerWaalsContact CA-CB 3.49Å; T1802-A1805 HydrophobicContact CG2-CB 4.22Å; T1802-E1806 WeakPolarHBondContact O-CA 3.45Å; T1802-E1806 WeakPolarHBondContact O-CB 3.09Å; T1802-E1806 WeakPolarHBondContact O-CG 3.47Å; T1802-E1806 PolarHBondContact O-N 3.16Å |
| 1803 | R | 61.1 | Low | 62.3 | Low | 156 Ų | 156 | 71.8 Ų | 71.8 | 59% | 0.589 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128 | 27.5 | 153.1 | -60.2 | 161.6 | -178.7 | 164 | 1.1 | 109.2 | L1799 S1800 E1806 L1807 | L1799-R1803 WeakPolarHBondContact O-CA 3.42Å; L1799-R1803 WeakPolarHBondContact O-CB 3.32Å; L1799-R1803 WeakPolarHBondContact O-CD 3.42Å; L1799-R1803 WeakPolarHBondContact O-CG 3.33Å; L1799-R1803 PolarHBondContact O-N 3.43Å; S1800-R1803 CarbonylContact O-C 3.35Å; S1800-R1803 VanDerWaalsContact O-O 3.07Å; R1803-E1806 VanDerWaalsContact CA-C 3.5Å; R1803-E1806 VanDerWaalsContact CA-N 3.26Å; R1803-L1807 HydrophobicContact CB-CG 4.49Å; R1803-L1807 WeakPolarHBondContact O-CB 3.32Å; R1803-L1807 VanDerWaalsContact O-CD1 3.29Å; R1803-L1807 WeakPolarHBondContact O-CD1 3.38Å; R1803-L1807 WeakPolarHBondContact O-CG 3.42Å; R1803-L1807 PolarHBondContact O-N 3.45Å |
| 1804 | Q | 64.2 | Low | 62.8 | Low | 63 Ų | 63 | 68.1 Ų | 68.1 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -156.7 | -13 | 164.9 | -178.9 | 108.3 | -12.8 | 0 | 0 | 108.5 | E1358 K1362 S1800 A1801 L1807 T1808 | E1358-Q1804 WeakPolarHBondContact CA-O 3.22Å; E1358-Q1804 HydrophobicContact CB-CG 4.43Å; E1358-Q1804 WeakPolarHBondContact CB-O 2.94Å; E1358-Q1804 HydrophobicContact CG-CG 3.76Å; E1358-Q1804 VanDerWaalsContact CG-O 3.24Å; E1358-Q1804 WeakPolarHBondContact CG-O 3.16Å; E1358-Q1804 WeakPolarHBondContact OE2-CG 3.07Å; E1358-Q1804 PolarHBondContact OE2-NE2 2.93Å; K1362-Q1804 VanDerWaalsContact NZ-NE2 3.19Å; S1800-Q1804 VanDerWaalsContact O-CA 3.32Å; S1800-Q1804 WeakPolarHBondContact O-CA 3.4Å; S1800-Q1804 WeakPolarHBondContact O-CB 3.13Å; S1800-Q1804 PolarHBondContact O-N 3.45Å; A1801-Q1804 HydrophobicContact CB-CB 4.26Å; Q1804-L1807 VanDerWaalsContact N-N 3.18Å; Q1804-L1807 CarbonylContact O-C 3.59Å; Q1804-L1807 PolarHBondContact OE1-O 3.37Å; Q1804-T1808 WeakPolarHBondContact O-CA 3.25Å; Q1804-T1808 PolarHBondContact O-N 3.4Å; Q1804-T1808 PolarHBondContact O-OG1 3.29Å |
| 1805 | A | 63.9 | Low | 63.3 | Low | 14 Ų | 14 | 67 Ų | 67 | 12% | 0.116 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | -51.4 | -108.6 | 100.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1361 A1801 T1802 L1807 T1808 | L1361-A1805 CarbonylContact C-O 3.01Å; L1361-A1805 VanDerWaalsContact CA-C 3.4Å; L1361-A1805 WeakPolarHBondContact CA-O 3.34Å; L1361-A1805 VanDerWaalsContact CB-CA 3.45Å; L1361-A1805 HydrophobicContact CB-CB 3.66Å; L1361-A1805 WeakPolarHBondContact CB-O 3.48Å; L1361-A1805 HydrophobicContact CD2-CB 3.56Å; L1361-A1805 HydrophobicContact CG-CB 4.11Å; L1361-A1805 CarbonylContact O-C 3.2Å; A1801-A1805 VanDerWaalsContact CA-N 3.31Å; A1801-A1805 WeakPolarHBondContact O-CA 3.34Å; A1801-A1805 WeakPolarHBondContact O-CB 3.1Å; A1801-A1805 PolarHBondContact O-N 3.1Å; T1802-A1805 VanDerWaalsContact CA-CB 3.49Å; T1802-A1805 HydrophobicContact CG2-CB 4.22Å; A1805-L1807 CarbonylContact O-C 2.69Å; A1805-L1807 VanDerWaalsContact O-CA 3.27Å; A1805-L1807 WeakPolarHBondContact O-CA 3.11Å; A1805-L1807 PolarHBondContact O-N 2.76Å; A1805-T1808 PolarHBondContact O-N 2.94Å | |
| 1806 | E | 61.3 | Low | 64.1 | Low | 58 Ų | 58 | 66.5 Ų | 66.5 | 27% | 0.271 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 11.9 | -172 | -58.9 | -76.7 | 72.5 | 0 | 0 | 120.8 | L1361 I1365 T1802 R1803 R1809 | L1361-E1806 WeakPolarHBondContact CB-OE1 3.26Å; L1361-E1806 HydrophobicContact CD2-CG 4.16Å; L1361-E1806 WeakPolarHBondContact CD2-OE1 3.39Å; L1361-E1806 VanDerWaalsContact CG-OE1 3.28Å; L1361-E1806 WeakPolarHBondContact CG-OE1 3.25Å; L1361-E1806 CarbonylContact O-C 3.54Å; L1361-E1806 WeakPolarHBondContact O-CA 3.39Å; L1361-E1806 VanDerWaalsContact O-O 3.12Å; I1365-E1806 HydrophobicContact CD1-CB 3.81Å; I1365-E1806 VanDerWaalsContact CD1-CD 3.45Å; I1365-E1806 HydrophobicContact CD1-CG 4.22Å; I1365-E1806 VanDerWaalsContact CD1-O 3.28Å; I1365-E1806 WeakPolarHBondContact CD1-O 3.09Å; I1365-E1806 WeakPolarHBondContact CD1-OE1 3.22Å; T1802-E1806 WeakPolarHBondContact O-CA 3.45Å; T1802-E1806 WeakPolarHBondContact O-CB 3.09Å; T1802-E1806 WeakPolarHBondContact O-CG 3.47Å; T1802-E1806 PolarHBondContact O-N 3.16Å; R1803-E1806 VanDerWaalsContact CA-C 3.5Å; R1803-E1806 VanDerWaalsContact CA-N 3.26Å; E1806-R1809 IonicContact OE1-CZ 2.74Å; E1806-R1809 VanDerWaalsContact OE1-CZ 3.27Å; E1806-R1809 IonicContact OE1-NE 2.75Å; E1806-R1809 PolarHBondContact OE1-NE 2.78Å; E1806-R1809 IonicContact OE1-NH2 2.68Å; E1806-R1809 PolarHBondContact OE1-NH2 3.39Å; E1806-R1809 IonicContact OE2-CZ 3.45Å; E1806-R1809 IonicContact OE2-NE 3.48Å; E1806-R1809 IonicContact OE2-NH2 2.7Å; E1806-R1809 PolarHBondContact OE2-NH2 3.48Å |
| 1807 | L | 61 | Low | 64.3 | Low | 75 Ų | 75 | 62 Ų | 62 | 39% | 0.393 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | 42.7 | 144.4 | -45.5 | 168.4 | 0 | 0 | 0 | 116.3 | L1361 K1362 R1803 Q1804 A1805 L1810 | L1361-L1807 VanDerWaalsContact O-CA 3.31Å; L1361-L1807 WeakPolarHBondContact O-CA 3.32Å; L1361-L1807 PolarHBondContact O-N 2.89Å; K1362-L1807 VanDerWaalsContact CA-C 3.46Å; K1362-L1807 WeakPolarHBondContact CB-O 3.08Å; K1362-L1807 HydrophobicContact CD-CB 4.31Å; K1362-L1807 WeakPolarHBondContact CD-O 3.2Å; K1362-L1807 WeakPolarHBondContact CE-O 3.38Å; K1362-L1807 HydrophobicContact CG-CB 3.82Å; K1362-L1807 WeakPolarHBondContact CG-O 3.49Å; K1362-L1807 PolarHBondContact NZ-O 3.01Å; R1803-L1807 HydrophobicContact CB-CG 4.49Å; R1803-L1807 WeakPolarHBondContact O-CB 3.32Å; R1803-L1807 VanDerWaalsContact O-CD1 3.29Å; R1803-L1807 WeakPolarHBondContact O-CD1 3.38Å; R1803-L1807 WeakPolarHBondContact O-CG 3.42Å; R1803-L1807 PolarHBondContact O-N 3.45Å; Q1804-L1807 VanDerWaalsContact N-N 3.18Å; Q1804-L1807 CarbonylContact O-C 3.59Å; Q1804-L1807 PolarHBondContact OE1-O 3.37Å; A1805-L1807 CarbonylContact O-C 2.69Å; A1805-L1807 VanDerWaalsContact O-CA 3.27Å; A1805-L1807 WeakPolarHBondContact O-CA 3.11Å; A1805-L1807 PolarHBondContact O-N 2.76Å; L1807-L1810 HydrophobicContact CD2-CD1 3.6Å |
| 1808 | T | 68.3 | Low | 65 | Low | 10 Ų | 10 | 60.1 Ų | 60.1 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -106.5 | 0 | 132.9 | 4.6 | 0 | 0 | 0 | 0 | 132.1 | E1358 V1359 E1360 L1361 K1362 Y1363 Q1804 A1805 | E1358-T1808 CarbonylContact C-O 3.4Å; E1358-T1808 CarbonylContact O-C 3.27Å; E1358-T1808 WeakPolarHBondContact O-CA 3.04Å; E1358-T1808 WeakPolarHBondContact O-CB 3.21Å; V1359-T1808 CarbonylContact C-O 3.49Å; V1359-T1808 WeakPolarHBondContact CA-O 3.35Å; V1359-T1808 HydrophobicContact CB-CG2 4.18Å; V1359-T1808 HydrophobicContact CG2-CG2 3.47Å; V1359-T1808 VanDerWaalsContact CG2-CG2 3.47Å; E1360-T1808 CarbonylContact C-O 2.98Å; E1360-T1808 VanDerWaalsContact C-O 3.29Å; E1360-T1808 PolarHBondContact N-O 2.69Å; E1360-T1808 VanDerWaalsContact N-O 3.12Å; L1361-T1808 PolarHBondContact N-O 2.91Å; L1361-T1808 VanDerWaalsContact N-O 3.17Å; L1361-T1808 PolarHBondContact O-N 3.3Å; K1362-T1808 CarbonylContact C-O 3.21Å; K1362-T1808 WeakPolarHBondContact CA-O 3.12Å; K1362-T1808 HydrophobicContact CB-CG2 3.31Å; K1362-T1808 PolarHBondContact NZ-OG1 2.89Å; K1362-T1808 CarbonylContact O-C 3.32Å; K1362-T1808 WeakPolarHBondContact O-CG2 3.18Å; Y1363-T1808 WeakPolarHBondContact CB-O 3.49Å; Y1363-T1808 PolarHBondContact N-O 3.34Å; Q1804-T1808 WeakPolarHBondContact O-CA 3.25Å; Q1804-T1808 PolarHBondContact O-N 3.4Å; Q1804-T1808 PolarHBondContact O-OG1 3.29Å; A1805-T1808 PolarHBondContact O-N 2.94Å |
| 1809 | R | 66.9 | Low | 65.5 | Low | 41 Ų | 41 | 57.1 Ų | 57.1 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | S | Bend | 0 | -85.7 | 0 | -72.2 | -145.2 | -72.3 | -149.6 | 18.7 | 122.9 | N283 E1360 L1361 K1362 Y1363 C1364 I1365 Q1366 E1806 | N283-R1809 PolarHBondContact ND2-NH1 2.99Å; E1360-R1809 WeakPolarHBondContact O-CA 3.37Å; E1360-R1809 WeakPolarHBondContact O-CB 3.13Å; E1360-R1809 WeakPolarHBondContact O-CG 3.4Å; E1360-R1809 PolarHBondContact O-N 3.34Å; L1361-R1809 VanDerWaalsContact C-C 3.43Å; L1361-R1809 HydrophobicContact CB-CB 3.48Å; L1361-R1809 VanDerWaalsContact CB-CB 3.48Å; L1361-R1809 HydrophobicContact CB-CG 3.79Å; L1361-R1809 HydrophobicContact CD1-CG 3.94Å; L1361-R1809 HydrophobicContact CG-CB 3.86Å; L1361-R1809 HydrophobicContact CG-CG 3.52Å; L1361-R1809 VanDerWaalsContact O-CA 3.22Å; L1361-R1809 WeakPolarHBondContact O-CA 3.46Å; L1361-R1809 WeakPolarHBondContact O-CB 3.25Å; K1362-R1809 CarbonylContact C-O 3.11Å; K1362-R1809 VanDerWaalsContact C-O 3.28Å; Y1363-R1809 CarbonylContact C-O 3.52Å; Y1363-R1809 WeakPolarHBondContact CA-O 3.42Å; Y1363-R1809 PolarHBondContact N-O 2.89Å; C1364-R1809 CarbonylContact C-O 3.58Å; C1364-R1809 HydrophobicContact CB-CB 4.39Å; C1364-R1809 HydrophobicContact CB-CG 3.46Å; C1364-R1809 VanDerWaalsContact CB-CG 3.46Å; C1364-R1809 VanDerWaalsContact N-CG 3.29Å; C1364-R1809 PolarHBondContact N-O 3.38Å; I1365-R1809 CarbonylContact C-O 3.46Å; I1365-R1809 VanDerWaalsContact C-O 3.28Å; I1365-R1809 WeakPolarHBondContact CA-O 3.39Å; I1365-R1809 HydrophobicContact CB-CB 4.08Å; I1365-R1809 HydrophobicContact CD1-CB 4.39Å; I1365-R1809 HydrophobicContact CG1-CB 3.29Å; I1365-R1809 HydrophobicContact CG1-CG 4.15Å; I1365-R1809 VanDerWaalsContact N-CB 3.27Å; I1365-R1809 PolarHBondContact N-O 2.8Å; Q1366-R1809 PolarHBondContact N-O 3.24Å; E1806-R1809 IonicContact OE1-CZ 2.74Å; E1806-R1809 VanDerWaalsContact OE1-CZ 3.27Å; E1806-R1809 IonicContact OE1-NE 2.75Å; E1806-R1809 PolarHBondContact OE1-NE 2.78Å; E1806-R1809 IonicContact OE1-NH2 2.68Å; E1806-R1809 PolarHBondContact OE1-NH2 3.39Å; E1806-R1809 IonicContact OE2-CZ 3.45Å; E1806-R1809 IonicContact OE2-NE 3.48Å; E1806-R1809 IonicContact OE2-NH2 2.7Å; E1806-R1809 PolarHBondContact OE2-NH2 3.48Å | |
| 1810 | L | 60.5 | Low | 65.9 | Low | 40 Ų | 40 | 56.1 Ų | 56.1 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -30.5 | -104.9 | 148.1 | -86.4 | 164.3 | 0 | 0 | 0 | 118 | K1362 Y1363 I1365 Q1366 A1369 L1807 R1812 Q1813 I1814 | K1362-L1810 CarbonylContact C-O 3.22Å; K1362-L1810 HydrophobicContact CB-CB 3.97Å; K1362-L1810 HydrophobicContact CG-CB 3.46Å; K1362-L1810 VanDerWaalsContact CG-CB 3.46Å; K1362-L1810 CarbonylContact O-C 3.25Å; Y1363-L1810 PolarHBondContact N-O 2.9Å; I1365-L1810 HydrophobicContact CB-CG 4.11Å; I1365-L1810 HydrophobicContact CG2-CG 4.38Å; I1365-L1810 WeakPolarHBondContact O-CD2 2.93Å; I1365-L1810 WeakPolarHBondContact O-CG 3.28Å; Q1366-L1810 WeakPolarHBondContact CB-O 3.23Å; Q1366-L1810 HydrophobicContact CG-CD2 3.83Å; Q1366-L1810 PolarHBondContact N-O 3.21Å; Q1366-L1810 VanDerWaalsContact NE2-CD2 3.27Å; Q1366-L1810 VanDerWaalsContact OE1-CA 3.31Å; Q1366-L1810 PolarHBondContact OE1-O 3.33Å; Q1366-L1810 VanDerWaalsContact OE1-O 3.1Å; A1369-L1810 HydrophobicContact CB-CD2 3.91Å; A1369-L1810 HydrophobicContact CB-CG 4.45Å; L1807-L1810 HydrophobicContact CD2-CD1 3.6Å; L1810-R1812 PolarHBondContact O-N 3.25Å; L1810-R1812 VanDerWaalsContact O-N 3.11Å; L1810-Q1813 PolarHBondContact O-N 3.49Å; L1810-I1814 PolarHBondContact O-N 3.09Å |
| 1811 | A | 67.1 | Low | 65.9 | Low | 37 Ų | 37 | 58.3 Ų | 58.3 | 31% | 0.306 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -33.3 | -53.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | K1362 Q1813 I1814 E1815 | K1362-A1811 HydrophobicContact CB-CB 3.79Å; K1362-A1811 HydrophobicContact CD-CB 3.88Å; K1362-A1811 HydrophobicContact CG-CB 3.98Å; K1362-A1811 CarbonylContact O-C 3.48Å; K1362-A1811 VanDerWaalsContact O-C 3.28Å; K1362-A1811 WeakPolarHBondContact O-CA 3.41Å; K1362-A1811 VanDerWaalsContact O-CB 3.28Å; K1362-A1811 WeakPolarHBondContact O-CB 3.1Å; K1362-A1811 PolarHBondContact O-N 3.31Å; A1811-Q1813 PolarHBondContact O-N 3.45Å; A1811-Q1813 VanDerWaalsContact O-N 3.16Å; A1811-I1814 CarbonylContact O-C 3.56Å; A1811-I1814 WeakPolarHBondContact O-CA 3.46Å; A1811-I1814 WeakPolarHBondContact O-CB 3.4Å; A1811-I1814 VanDerWaalsContact O-CG2 3.3Å; A1811-I1814 WeakPolarHBondContact O-CG2 3.41Å; A1811-I1814 PolarHBondContact O-N 3.01Å; A1811-E1815 PolarHBondContact O-N 3.44Å |
| 1812 | R | 66.7 | Low | 66.4 | Low | 56 Ų | 56 | 60.8 Ų | 60.8 | 21% | 0.211 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 4 | 171.3 | -169.7 | -175.7 | 62 | 94.2 | -12.6 | 115 | S276 V1359 K1362 Y1363 L1810 E1815 E1816 | S276-R1812 PolarHBondContact OG-NH1 2.75Å; S276-R1812 PolarHBondContact OG-NH2 3.47Å; V1359-R1812 HydrophobicContact CG1-CB 3.87Å; V1359-R1812 HydrophobicContact CG1-CG 4.11Å; V1359-R1812 VanDerWaalsContact CG1-NE 3.3Å; V1359-R1812 VanDerWaalsContact O-CZ 3.31Å; V1359-R1812 PolarHBondContact O-NE 2.74Å; V1359-R1812 PolarHBondContact O-NH2 3.06Å; K1362-R1812 PolarHBondContact O-N 2.75Å; Y1363-R1812 HydrophobicContact CD2-CB 4Å; Y1363-R1812 HydrophobicContact CD2-CG 3.85Å; Y1363-R1812 WeakPolarHBondContact CD2-O 3.14Å; Y1363-R1812 VanDerWaalsContact CE2-NH1 3.34Å; Y1363-R1812 HydrophobicContact CG-CB 4.39Å; Y1363-R1812 CarbonylContact O-C 3.38Å; L1810-R1812 PolarHBondContact O-N 3.25Å; L1810-R1812 VanDerWaalsContact O-N 3.11Å; R1812-E1815 VanDerWaalsContact C-N 3.26Å; R1812-E1815 VanDerWaalsContact CA-CB 3.42Å; R1812-E1815 HydrophobicContact CB-CB 4.04Å; R1812-E1815 HydrophobicContact CG-CB 3.81Å; R1812-E1815 HydrophobicContact CG-CG 4.27Å; R1812-E1815 CarbonylContact O-C 3.56Å; R1812-E1815 WeakPolarHBondContact O-CA 3.12Å; R1812-E1815 WeakPolarHBondContact O-CB 3.4Å; R1812-E1815 PolarHBondContact O-N 3.29Å; R1812-E1816 PolarHBondContact O-N 2.76Å |
| 1813 | Q | 64.6 | Low | 66.6 | Low | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -114.3 | -1.7 | 150.5 | -175.2 | 161.9 | -6.8 | 0 | 0 | 112.2 | Y1363 Q1366 R1367 L1810 A1811 E1815 E1816 D1817 | Y1363-Q1813 WeakPolarHBondContact O-CA 3.27Å; Y1363-Q1813 WeakPolarHBondContact O-CB 3.15Å; Y1363-Q1813 PolarHBondContact O-N 2.62Å; Q1366-Q1813 VanDerWaalsContact C-CB 3.49Å; Q1366-Q1813 HydrophobicContact CB-CB 3.65Å; Q1366-Q1813 HydrophobicContact CB-CG 4.07Å; R1367-Q1813 VanDerWaalsContact CD-OE1 3.25Å; R1367-Q1813 VanDerWaalsContact N-CD 3.27Å; R1367-Q1813 VanDerWaalsContact NH1-CD 3.34Å; L1810-Q1813 PolarHBondContact O-N 3.49Å; A1811-Q1813 PolarHBondContact O-N 3.45Å; A1811-Q1813 VanDerWaalsContact O-N 3.16Å; Q1813-E1815 VanDerWaalsContact CA-N 3.28Å; Q1813-E1815 PolarHBondContact O-N 3.03Å; Q1813-E1816 HydrophobicContact CB-CB 3.93Å; Q1813-E1816 HydrophobicContact CG-CB 3.84Å; Q1813-D1817 HydrophobicContact CG-CB 4.16Å; Q1813-D1817 WeakPolarHBondContact CG-OD1 3.39Å; Q1813-D1817 WeakPolarHBondContact CG-OD2 3.16Å; Q1813-D1817 PolarHBondContact NE2-OD1 2.77Å; Q1813-D1817 WeakPolarHBondContact O-CA 3.39Å; Q1813-D1817 WeakPolarHBondContact O-CB 3.36Å; Q1813-D1817 PolarHBondContact O-N 3.46Å |
| 1814 | I | 71.1 | Confident | 66.5 | Low | 93 Ų | 93 | 58.9 Ų | 58.9 | 48% | 0.477 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.6 | -8.6 | 133.9 | -98.5 | 167.3 | 0 | 0 | 0 | 110.6 | Q1366 L1810 A1811 K1818 | Q1366-I1814 HydrophobicContact CG-CB 4.47Å; Q1366-I1814 HydrophobicContact CG-CG1 4Å; L1810-I1814 PolarHBondContact O-N 3.09Å; A1811-I1814 CarbonylContact O-C 3.56Å; A1811-I1814 WeakPolarHBondContact O-CA 3.46Å; A1811-I1814 WeakPolarHBondContact O-CB 3.4Å; A1811-I1814 VanDerWaalsContact O-CG2 3.3Å; A1811-I1814 WeakPolarHBondContact O-CG2 3.41Å; A1811-I1814 PolarHBondContact O-N 3.01Å; I1814-K1818 VanDerWaalsContact O-CA 3.29Å; I1814-K1818 WeakPolarHBondContact O-CA 3.23Å; I1814-K1818 WeakPolarHBondContact O-CB 3.5Å; I1814-K1818 PolarHBondContact O-N 2.7Å |
| 1815 | E | 74.2 | Confident | 66.7 | Low | 72 Ų | 72 | 57.7 Ų | 57.7 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -114 | -29.1 | 177.4 | -160.7 | 64.1 | -144.5 | 0 | 0 | 116.2 | A1811 R1812 Q1813 K1818 L1819 | A1811-E1815 PolarHBondContact O-N 3.44Å; R1812-E1815 VanDerWaalsContact C-N 3.26Å; R1812-E1815 VanDerWaalsContact CA-CB 3.42Å; R1812-E1815 HydrophobicContact CB-CB 4.04Å; R1812-E1815 HydrophobicContact CG-CB 3.81Å; R1812-E1815 HydrophobicContact CG-CG 4.27Å; R1812-E1815 CarbonylContact O-C 3.56Å; R1812-E1815 WeakPolarHBondContact O-CA 3.12Å; R1812-E1815 WeakPolarHBondContact O-CB 3.4Å; R1812-E1815 PolarHBondContact O-N 3.29Å; Q1813-E1815 VanDerWaalsContact CA-N 3.28Å; Q1813-E1815 PolarHBondContact O-N 3.03Å; E1815-K1818 VanDerWaalsContact CA-CB 3.47Å; E1815-K1818 VanDerWaalsContact CA-N 3.32Å; E1815-K1818 HydrophobicContact CB-CB 4.41Å; E1815-K1818 HydrophobicContact CG-CB 4.42Å; E1815-K1818 CarbonylContact O-C 3.53Å; E1815-K1818 PolarHBondContact O-N 3.34Å; E1815-K1818 IonicContact OE1-NZ 3.76Å; E1815-K1818 PolarHBondContact OE1-NZ 2.98Å; E1815-K1818 IonicContact OE2-NZ 3.89Å; E1815-K1818 PolarHBondContact OE2-NZ 3.07Å; E1815-L1819 WeakPolarHBondContact O-CB 2.99Å; E1815-L1819 WeakPolarHBondContact O-CG 3.24Å; E1815-L1819 PolarHBondContact O-N 2.7Å |
| 1816 | E | 70.7 | Confident | 66.7 | Low | 42 Ų | 42 | 63.1 Ų | 63.1 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -81.8 | -20.3 | 158.4 | -134 | -173.8 | -89.3 | 0 | 0 | 111.3 | Y1363 R1367 R1812 Q1813 L1819 R1820 | Y1363-E1816 HydrophobicContact CE2-CB 4.08Å; Y1363-E1816 HydrophobicContact CE2-CG 4.41Å; Y1363-E1816 WeakPolarHBondContact CE2-OE1 3.15Å; Y1363-E1816 VanDerWaalsContact CZ-OE1 3.27Å; Y1363-E1816 PolarHBondContact OH-OE1 2.9Å; R1367-E1816 IonicContact CZ-OE2 3.04Å; R1367-E1816 IonicContact NH1-OE2 3.27Å; R1367-E1816 PolarHBondContact NH1-OE2 3.35Å; R1812-E1816 PolarHBondContact O-N 2.76Å; Q1813-E1816 HydrophobicContact CB-CB 3.93Å; Q1813-E1816 HydrophobicContact CG-CB 3.84Å; E1816-L1819 CarbonylContact O-C 3.02Å; E1816-R1820 WeakPolarHBondContact O-CB 3.4Å; E1816-R1820 WeakPolarHBondContact O-CG 3.17Å; E1816-R1820 PolarHBondContact O-N 2.63Å |
| 1817 | D | 63.2 | Low | 66.5 | Low | 15 Ų | 15 | 60.7 Ų | 60.7 | 8% | 0.08 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -95.5 | 1.1 | 153.7 | -40.2 | -40.1 | 0 | 0 | 0 | 111.3 | A1370 Q1813 R1820 L1821 | A1370-D1817 WeakPolarHBondContact CB-OD2 3.18Å; Q1813-D1817 HydrophobicContact CG-CB 4.16Å; Q1813-D1817 WeakPolarHBondContact CG-OD1 3.39Å; Q1813-D1817 WeakPolarHBondContact CG-OD2 3.16Å; Q1813-D1817 PolarHBondContact NE2-OD1 2.77Å; Q1813-D1817 WeakPolarHBondContact O-CA 3.39Å; Q1813-D1817 WeakPolarHBondContact O-CB 3.36Å; Q1813-D1817 PolarHBondContact O-N 3.46Å; D1817-R1820 HydrophobicContact CB-CB 4.38Å; D1817-R1820 WeakPolarHBondContact OD1-CD 3.47Å; D1817-R1820 IonicContact OD1-NH1 2.73Å; D1817-L1821 WeakPolarHBondContact O-CA 3.44Å; D1817-L1821 WeakPolarHBondContact O-CB 3.47Å; D1817-L1821 VanDerWaalsContact O-CD1 3.25Å; D1817-L1821 WeakPolarHBondContact O-CD1 3.24Å; D1817-L1821 WeakPolarHBondContact O-CG 3.47Å; D1817-L1821 PolarHBondContact O-N 3.42Å |
| 1818 | K | 72.9 | Confident | 66.7 | Low | 86 Ų | 86 | 60.3 Ų | 60.3 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -76.9 | -44.7 | 151.5 | -160.3 | 134.6 | 113.6 | -68.5 | 0 | 107.7 | I1814 E1815 R1820 L1821 E1822 | I1814-K1818 VanDerWaalsContact O-CA 3.29Å; I1814-K1818 WeakPolarHBondContact O-CA 3.23Å; I1814-K1818 WeakPolarHBondContact O-CB 3.5Å; I1814-K1818 PolarHBondContact O-N 2.7Å; E1815-K1818 VanDerWaalsContact CA-CB 3.47Å; E1815-K1818 VanDerWaalsContact CA-N 3.32Å; E1815-K1818 HydrophobicContact CB-CB 4.41Å; E1815-K1818 HydrophobicContact CG-CB 4.42Å; E1815-K1818 CarbonylContact O-C 3.53Å; E1815-K1818 PolarHBondContact O-N 3.34Å; E1815-K1818 IonicContact OE1-NZ 3.76Å; E1815-K1818 PolarHBondContact OE1-NZ 2.98Å; E1815-K1818 IonicContact OE2-NZ 3.89Å; E1815-K1818 PolarHBondContact OE2-NZ 3.07Å; K1818-R1820 PolarHBondContact O-N 2.8Å; K1818-L1821 CarbonylContact O-C 3.46Å; K1818-L1821 WeakPolarHBondContact O-CA 2.92Å; K1818-L1821 PolarHBondContact O-N 3.5Å; K1818-E1822 VanDerWaalsContact O-CA 3.27Å; K1818-E1822 WeakPolarHBondContact O-CA 3.37Å; K1818-E1822 WeakPolarHBondContact O-CB 3.24Å; K1818-E1822 PolarHBondContact O-N 2.85Å |
| 1819 | L | 73.6 | Confident | 66.5 | Low | 90 Ų | 90 | 64.8 Ų | 64.8 | 47% | 0.471 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.9 | -25.9 | 174.4 | -73.8 | 161.9 | 0 | 0 | 0 | 112.4 | E1815 E1816 L1823 | E1815-L1819 WeakPolarHBondContact O-CB 2.99Å; E1815-L1819 WeakPolarHBondContact O-CG 3.24Å; E1815-L1819 PolarHBondContact O-N 2.7Å; E1816-L1819 CarbonylContact O-C 3.02Å; L1819-L1823 WeakPolarHBondContact O-CA 3.18Å; L1819-L1823 WeakPolarHBondContact O-CB 3.28Å; L1819-L1823 WeakPolarHBondContact O-CD1 3.3Å; L1819-L1823 WeakPolarHBondContact O-CG 3.23Å; L1819-L1823 PolarHBondContact O-N 2.62Å |
| 1820 | R | 66.7 | Low | 66.2 | Low | 70 Ų | 70 | 64.3 Ų | 64.3 | 26% | 0.264 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -77.8 | -32.5 | 159.3 | -64.1 | 157.7 | 159.5 | -158 | -3.1 | 111.8 | E284 E1816 D1817 K1818 E1822 L1824 | E284-R1820 IonicContact OE1-CZ 2.62Å; E284-R1820 IonicContact OE1-NH1 2.72Å; E284-R1820 IonicContact OE1-NH2 2.75Å; E284-R1820 PolarHBondContact OE1-NH2 2.72Å; E284-R1820 IonicContact OE2-NH2 3.4Å; E1816-R1820 WeakPolarHBondContact O-CB 3.4Å; E1816-R1820 WeakPolarHBondContact O-CG 3.17Å; E1816-R1820 PolarHBondContact O-N 2.63Å; D1817-R1820 HydrophobicContact CB-CB 4.38Å; D1817-R1820 WeakPolarHBondContact OD1-CD 3.47Å; D1817-R1820 IonicContact OD1-NH1 2.73Å; K1818-R1820 PolarHBondContact O-N 2.8Å; R1820-E1822 PolarHBondContact O-N 2.75Å; R1820-L1824 VanDerWaalsContact O-CA 3.27Å; R1820-L1824 WeakPolarHBondContact O-CA 3.33Å; R1820-L1824 WeakPolarHBondContact O-CB 3.12Å; R1820-L1824 VanDerWaalsContact O-CD1 3.22Å; R1820-L1824 WeakPolarHBondContact O-CD1 2.98Å; R1820-L1824 WeakPolarHBondContact O-CG 3.34Å; R1820-L1824 PolarHBondContact O-N 3.05Å |
| 1821 | L | 65.8 | Low | 65.8 | Low | 112 Ų | 112 | 64 Ų | 64 | 59% | 0.586 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -76.8 | -0.6 | 169.1 | -72.5 | 166.2 | 0 | 0 | 0 | 114.2 | D1817 K1818 L1824 A1825 | D1817-L1821 WeakPolarHBondContact O-CA 3.44Å; D1817-L1821 WeakPolarHBondContact O-CB 3.47Å; D1817-L1821 VanDerWaalsContact O-CD1 3.25Å; D1817-L1821 WeakPolarHBondContact O-CD1 3.24Å; D1817-L1821 WeakPolarHBondContact O-CG 3.47Å; D1817-L1821 PolarHBondContact O-N 3.42Å; K1818-L1821 CarbonylContact O-C 3.46Å; K1818-L1821 WeakPolarHBondContact O-CA 2.92Å; K1818-L1821 PolarHBondContact O-N 3.5Å; L1821-L1824 CarbonylContact O-C 3.52Å; L1821-L1824 VanDerWaalsContact O-C 3.31Å; L1821-A1825 WeakPolarHBondContact O-CA 3.34Å; L1821-A1825 VanDerWaalsContact O-CB 3.25Å; L1821-A1825 WeakPolarHBondContact O-CB 3.37Å; L1821-A1825 PolarHBondContact O-N 3.41Å |
| 1822 | E | 71 | Confident | 65.5 | Low | 86 Ų | 86 | 66.6 Ų | 66.6 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -123.6 | -30.2 | -174 | -169.1 | 167.7 | -120.5 | 0 | 0 | 110.3 | K1818 R1820 L1824 A1825 Q1826 | K1818-E1822 VanDerWaalsContact O-CA 3.27Å; K1818-E1822 WeakPolarHBondContact O-CA 3.37Å; K1818-E1822 WeakPolarHBondContact O-CB 3.24Å; K1818-E1822 PolarHBondContact O-N 2.85Å; R1820-E1822 PolarHBondContact O-N 2.75Å; E1822-L1824 VanDerWaalsContact C-N 3.31Å; E1822-A1825 VanDerWaalsContact C-N 3.29Å; E1822-A1825 VanDerWaalsContact CA-CB 3.49Å; E1822-A1825 VanDerWaalsContact CA-N 3.3Å; E1822-A1825 HydrophobicContact CB-CB 4.34Å; E1822-A1825 HydrophobicContact CG-CB 4.33Å; E1822-A1825 CarbonylContact O-C 2.77Å; E1822-A1825 PolarHBondContact O-N 2.96Å; E1822-Q1826 WeakPolarHBondContact O-CB 3.38Å; E1822-Q1826 VanDerWaalsContact O-CG 3.27Å; E1822-Q1826 WeakPolarHBondContact O-CG 3.24Å; E1822-Q1826 PolarHBondContact O-N 3.2Å |
| 1823 | L | 63.5 | Low | 65.1 | Low | 110 Ų | 110 | 67.6 Ų | 67.6 | 58% | 0.576 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -69.2 | -27.1 | 146.8 | -70 | 168 | 0 | 0 | 0 | 111.6 | L1819 Q1826 D1827 | L1819-L1823 WeakPolarHBondContact O-CA 3.18Å; L1819-L1823 WeakPolarHBondContact O-CB 3.28Å; L1819-L1823 WeakPolarHBondContact O-CD1 3.3Å; L1819-L1823 WeakPolarHBondContact O-CG 3.23Å; L1819-L1823 PolarHBondContact O-N 2.62Å; L1823-Q1826 CarbonylContact O-C 3.51Å; L1823-D1827 WeakPolarHBondContact O-CA 3.36Å; L1823-D1827 WeakPolarHBondContact O-CB 3.13Å; L1823-D1827 PolarHBondContact O-N 2.75Å |
| 1824 | L | 60.5 | Low | 64.6 | Low | 66 Ų | 66 | 68.4 Ų | 68.4 | 35% | 0.346 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -91.9 | 2.6 | 161.3 | -58.4 | 158.1 | 0 | 0 | 0 | 112.1 | R1820 L1821 E1822 D1827 T1828 | R1820-L1824 VanDerWaalsContact O-CA 3.27Å; R1820-L1824 WeakPolarHBondContact O-CA 3.33Å; R1820-L1824 WeakPolarHBondContact O-CB 3.12Å; R1820-L1824 VanDerWaalsContact O-CD1 3.22Å; R1820-L1824 WeakPolarHBondContact O-CD1 2.98Å; R1820-L1824 WeakPolarHBondContact O-CG 3.34Å; R1820-L1824 PolarHBondContact O-N 3.05Å; L1821-L1824 CarbonylContact O-C 3.52Å; L1821-L1824 VanDerWaalsContact O-C 3.31Å; E1822-L1824 VanDerWaalsContact C-N 3.31Å; L1824-D1827 HydrophobicContact CD2-CB 4.21Å; L1824-T1828 WeakPolarHBondContact O-CA 3.03Å; L1824-T1828 WeakPolarHBondContact O-CB 3.42Å; L1824-T1828 WeakPolarHBondContact O-CG2 3.45Å; L1824-T1828 PolarHBondContact O-N 3.23Å; L1824-T1828 PolarHBondContact O-OG1 2.91Å |
| 1825 | A | 67.6 | Low | 63.5 | Low | 38 Ų | 38 | 67.7 Ų | 67.7 | 31% | 0.314 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -86.9 | -36.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | L1821 E1822 T1828 E1829 | L1821-A1825 WeakPolarHBondContact O-CA 3.34Å; L1821-A1825 VanDerWaalsContact O-CB 3.25Å; L1821-A1825 WeakPolarHBondContact O-CB 3.37Å; L1821-A1825 PolarHBondContact O-N 3.41Å; E1822-A1825 VanDerWaalsContact C-N 3.29Å; E1822-A1825 VanDerWaalsContact CA-CB 3.49Å; E1822-A1825 VanDerWaalsContact CA-N 3.3Å; E1822-A1825 HydrophobicContact CB-CB 4.34Å; E1822-A1825 HydrophobicContact CG-CB 4.33Å; E1822-A1825 CarbonylContact O-C 2.77Å; E1822-A1825 PolarHBondContact O-N 2.96Å; A1825-T1828 WeakPolarHBondContact CA-OG1 3.41Å; A1825-T1828 CarbonylContact O-C 3.33Å; A1825-T1828 PolarHBondContact O-N 3.42Å; A1825-E1829 WeakPolarHBondContact O-CA 2.9Å; A1825-E1829 VanDerWaalsContact O-CB 3.23Å; A1825-E1829 WeakPolarHBondContact O-CB 3.35Å; A1825-E1829 PolarHBondContact O-N 3.2Å |
| 1826 | Q | 63.8 | Low | 62.5 | Low | 128 Ų | 128 | 69.3 Ų | 69.3 | 60% | 0.598 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -74 | -32.4 | 168.9 | -69.1 | 171.7 | 16.7 | 0 | 0 | 111.5 | E1822 L1823 T1828 E1829 A1830 | E1822-Q1826 WeakPolarHBondContact O-CB 3.38Å; E1822-Q1826 VanDerWaalsContact O-CG 3.27Å; E1822-Q1826 WeakPolarHBondContact O-CG 3.24Å; E1822-Q1826 PolarHBondContact O-N 3.2Å; L1823-Q1826 CarbonylContact O-C 3.51Å; Q1826-T1828 VanDerWaalsContact C-N 3.34Å; Q1826-E1829 PolarHBondContact O-N 3.3Å; Q1826-A1830 WeakPolarHBondContact O-CA 3.02Å; Q1826-A1830 WeakPolarHBondContact O-CB 2.95Å; Q1826-A1830 PolarHBondContact O-N 3.05Å |
| 1827 | D | 57.9 | Low | 61.9 | Low | 8 Ų | 8 | 73.2 Ų | 73.2 | 4% | 0.043 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 0.5 | 168 | -164.3 | 70.9 | 0 | 0 | 0 | 111.7 | Q1611 K1618 L1823 L1824 K1831 | Q1611-D1827 PolarHBondContact NE2-OD1 3.27Å; K1618-D1827 IonicContact NZ-OD2 3.48Å; K1618-D1827 PolarHBondContact NZ-OD2 3.05Å; L1823-D1827 WeakPolarHBondContact O-CA 3.36Å; L1823-D1827 WeakPolarHBondContact O-CB 3.13Å; L1823-D1827 PolarHBondContact O-N 2.75Å; L1824-D1827 HydrophobicContact CD2-CB 4.21Å; D1827-K1831 WeakPolarHBondContact O-CA 3.07Å; D1827-K1831 WeakPolarHBondContact O-CB 3.17Å; D1827-K1831 WeakPolarHBondContact O-CG 3.25Å; D1827-K1831 PolarHBondContact O-N 2.97Å |
| 1828 | T | 64 | Low | 61.1 | Low | 66 Ų | 66 | 74.2 Ų | 74.2 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 8.3 | 154.6 | 62.9 | 0 | 0 | 0 | 0 | 113.4 | L1824 A1825 Q1826 K1831 K1832 | L1824-T1828 WeakPolarHBondContact O-CA 3.03Å; L1824-T1828 WeakPolarHBondContact O-CB 3.42Å; L1824-T1828 WeakPolarHBondContact O-CG2 3.45Å; L1824-T1828 PolarHBondContact O-N 3.23Å; L1824-T1828 PolarHBondContact O-OG1 2.91Å; A1825-T1828 WeakPolarHBondContact CA-OG1 3.41Å; A1825-T1828 CarbonylContact O-C 3.33Å; A1825-T1828 PolarHBondContact O-N 3.42Å; Q1826-T1828 VanDerWaalsContact C-N 3.34Å; T1828-K1831 CarbonylContact O-C 2.88Å; T1828-K1831 VanDerWaalsContact O-C 3.31Å; T1828-K1832 VanDerWaalsContact C-N 3.35Å; T1828-K1832 WeakPolarHBondContact O-CA 3.28Å; T1828-K1832 WeakPolarHBondContact O-CB 2.98Å; T1828-K1832 WeakPolarHBondContact O-CD 2.93Å; T1828-K1832 WeakPolarHBondContact O-CG 3.36Å; T1828-K1832 PolarHBondContact O-N 3.11Å |
| 1829 | E | 65.4 | Low | 60.4 | Low | 105 Ų | 105 | 74.8 Ų | 74.8 | 49% | 0.491 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -33.6 | 162.5 | -148.8 | 67.2 | -130.8 | 0 | 0 | 108.3 | A1825 Q1826 K1832 S1833 | A1825-E1829 WeakPolarHBondContact O-CA 2.9Å; A1825-E1829 VanDerWaalsContact O-CB 3.23Å; A1825-E1829 WeakPolarHBondContact O-CB 3.35Å; A1825-E1829 PolarHBondContact O-N 3.2Å; Q1826-E1829 PolarHBondContact O-N 3.3Å; E1829-K1832 PolarHBondContact O-N 2.74Å; E1829-K1832 VanDerWaalsContact OE1-CD 3.24Å; E1829-K1832 WeakPolarHBondContact OE1-CD 3.24Å; E1829-K1832 IonicContact OE1-NZ 3.51Å; E1829-K1832 WeakPolarHBondContact OE2-CD 3.13Å; E1829-K1832 IonicContact OE2-NZ 2.73Å; E1829-K1832 PolarHBondContact OE2-NZ 3.07Å; E1829-S1833 WeakPolarHBondContact O-CB 2.99Å; E1829-S1833 PolarHBondContact O-N 2.68Å; E1829-S1833 PolarHBondContact O-OG 2.69Å |
| 1830 | A | 58.9 | Low | 59.6 | Low | 31 Ų | 31 | 72.8 Ų | 72.8 | 26% | 0.256 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.6 | -47.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q1826 K1832 S1833 E1834 | Q1826-A1830 WeakPolarHBondContact O-CA 3.02Å; Q1826-A1830 WeakPolarHBondContact O-CB 2.95Å; Q1826-A1830 PolarHBondContact O-N 3.05Å; A1830-K1832 VanDerWaalsContact C-N 3.25Å; A1830-K1832 PolarHBondContact O-N 3.4Å; A1830-S1833 WeakPolarHBondContact CA-OG 3.34Å; A1830-S1833 PolarHBondContact O-OG 3.48Å; A1830-S1833 VanDerWaalsContact O-OG 3.12Å; A1830-E1834 WeakPolarHBondContact O-CA 3.07Å; A1830-E1834 VanDerWaalsContact O-CB 3.31Å; A1830-E1834 WeakPolarHBondContact O-CB 3.29Å; A1830-E1834 WeakPolarHBondContact O-CG 3.02Å; A1830-E1834 PolarHBondContact O-N 3.43Å |
| 1831 | K | 52.3 | Low | 59.2 | Low | 33 Ų | 33 | 72.3 Ų | 72.3 | 14% | 0.143 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -82.9 | 26.4 | 163.5 | -56.4 | -167.8 | 169.5 | -77.3 | 0 | 115.7 | K1615 K1618 D1827 T1828 E1834 L1835 | K1615-K1831 PolarHBondContact O-NZ 3.36Å; K1618-K1831 HydrophobicContact CD-CD 4.1Å; K1618-K1831 VanDerWaalsContact CD-CE 3.41Å; D1827-K1831 WeakPolarHBondContact O-CA 3.07Å; D1827-K1831 WeakPolarHBondContact O-CB 3.17Å; D1827-K1831 WeakPolarHBondContact O-CG 3.25Å; D1827-K1831 PolarHBondContact O-N 2.97Å; T1828-K1831 CarbonylContact O-C 2.88Å; T1828-K1831 VanDerWaalsContact O-C 3.31Å; K1831-E1834 WeakPolarHBondContact CG-OE2 2.8Å; K1831-E1834 IonicContact NZ-OE2 3.6Å; K1831-E1834 PolarHBondContact NZ-OE2 3.35Å; K1831-L1835 VanDerWaalsContact O-CB 3.25Å; K1831-L1835 WeakPolarHBondContact O-CB 3.34Å; K1831-L1835 PolarHBondContact O-N 3.4Å |
| 1832 | K | 60.8 | Low | 58.9 | Low | 92 Ų | 92 | 73.3 Ų | 73.3 | 40% | 0.4 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -117.4 | -33.3 | 154.4 | -88.5 | 162.1 | -162.1 | 166.6 | 0 | 111.7 | T1828 E1829 A1830 E1834 L1835 E1836 | T1828-K1832 VanDerWaalsContact C-N 3.35Å; T1828-K1832 WeakPolarHBondContact O-CA 3.28Å; T1828-K1832 WeakPolarHBondContact O-CB 2.98Å; T1828-K1832 WeakPolarHBondContact O-CD 2.93Å; T1828-K1832 WeakPolarHBondContact O-CG 3.36Å; T1828-K1832 PolarHBondContact O-N 3.11Å; E1829-K1832 PolarHBondContact O-N 2.74Å; E1829-K1832 VanDerWaalsContact OE1-CD 3.24Å; E1829-K1832 WeakPolarHBondContact OE1-CD 3.24Å; E1829-K1832 IonicContact OE1-NZ 3.51Å; E1829-K1832 WeakPolarHBondContact OE2-CD 3.13Å; E1829-K1832 IonicContact OE2-NZ 2.73Å; E1829-K1832 PolarHBondContact OE2-NZ 3.07Å; A1830-K1832 VanDerWaalsContact C-N 3.25Å; A1830-K1832 PolarHBondContact O-N 3.4Å; K1832-E1834 VanDerWaalsContact C-N 3.28Å; K1832-L1835 VanDerWaalsContact CA-N 3.32Å; K1832-L1835 CarbonylContact O-C 3.58Å; K1832-L1835 WeakPolarHBondContact O-CA 3.33Å; K1832-L1835 PolarHBondContact O-N 2.76Å; K1832-E1836 WeakPolarHBondContact O-CB 2.83Å; K1832-E1836 WeakPolarHBondContact O-CG 3.27Å; K1832-E1836 PolarHBondContact O-N 2.71Å |
| 1833 | S | 58 | Low | 58.2 | Low | 76 Ų | 76 | 75 Ų | 75 | 53% | 0.531 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 163.6 | 47.8 | 0 | 0 | 0 | 0 | 109 | E1829 A1830 E1836 L1837 | E1829-S1833 WeakPolarHBondContact O-CB 2.99Å; E1829-S1833 PolarHBondContact O-N 2.68Å; E1829-S1833 PolarHBondContact O-OG 2.69Å; A1830-S1833 WeakPolarHBondContact CA-OG 3.34Å; A1830-S1833 PolarHBondContact O-OG 3.48Å; A1830-S1833 VanDerWaalsContact O-OG 3.12Å; S1833-E1836 PolarHBondContact O-N 3.34Å; S1833-L1837 WeakPolarHBondContact O-CB 3.3Å; S1833-L1837 PolarHBondContact O-N 2.98Å |
| 1834 | E | 54.5 | Low | 58.1 | Low | 17 Ų | 17 | 75.9 Ų | 75.9 | 8% | 0.079 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69.4 | -29.3 | 157.8 | -58.9 | -166.4 | 156.7 | 0 | 0 | 113.6 | K1615 Q1619 A1830 K1831 K1832 E1836 L1837 I1838 | K1615-E1834 WeakPolarHBondContact CE-OE1 3.38Å; K1615-E1834 IonicContact NZ-OE1 2.73Å; K1615-E1834 PolarHBondContact NZ-OE1 2.95Å; Q1619-E1834 PolarHBondContact NE2-OE1 3.13Å; Q1619-E1834 PolarHBondContact NE2-OE2 3.48Å; A1830-E1834 WeakPolarHBondContact O-CA 3.07Å; A1830-E1834 VanDerWaalsContact O-CB 3.31Å; A1830-E1834 WeakPolarHBondContact O-CB 3.29Å; A1830-E1834 WeakPolarHBondContact O-CG 3.02Å; A1830-E1834 PolarHBondContact O-N 3.43Å; K1831-E1834 WeakPolarHBondContact CG-OE2 2.8Å; K1831-E1834 IonicContact NZ-OE2 3.6Å; K1831-E1834 PolarHBondContact NZ-OE2 3.35Å; K1832-E1834 VanDerWaalsContact C-N 3.28Å; E1834-E1836 VanDerWaalsContact C-N 3.26Å; E1834-E1836 PolarHBondContact O-N 2.81Å; E1834-L1837 CarbonylContact O-C 2.81Å; E1834-L1837 PolarHBondContact O-N 3.35Å; E1834-I1838 HydrophobicContact CB-CD1 3.75Å; E1834-I1838 HydrophobicContact CB-CG1 4.3Å; E1834-I1838 VanDerWaalsContact O-CA 3.26Å; E1834-I1838 WeakPolarHBondContact O-CA 3.14Å; E1834-I1838 WeakPolarHBondContact O-CB 3.5Å; E1834-I1838 WeakPolarHBondContact O-CD1 2.96Å; E1834-I1838 WeakPolarHBondContact O-CG1 3.15Å; E1834-I1838 PolarHBondContact O-N 2.83Å |
| 1835 | L | 48.9 | Very low | 58 | Low | 78 Ų | 78 | 76.3 Ų | 76.3 | 41% | 0.408 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -72.7 | -17.6 | 172.3 | -152.7 | 69.4 | 0 | 0 | 0 | 112.9 | K1831 K1832 I1838 K1839 | K1831-L1835 VanDerWaalsContact O-CB 3.25Å; K1831-L1835 WeakPolarHBondContact O-CB 3.34Å; K1831-L1835 PolarHBondContact O-N 3.4Å; K1832-L1835 VanDerWaalsContact CA-N 3.32Å; K1832-L1835 CarbonylContact O-C 3.58Å; K1832-L1835 WeakPolarHBondContact O-CA 3.33Å; K1832-L1835 PolarHBondContact O-N 2.76Å; L1835-I1838 CarbonylContact O-C 3.18Å; L1835-K1839 WeakPolarHBondContact O-CA 3.04Å; L1835-K1839 WeakPolarHBondContact O-CB 3.03Å; L1835-K1839 WeakPolarHBondContact O-CD 3.28Å; L1835-K1839 WeakPolarHBondContact O-CG 2.99Å; L1835-K1839 PolarHBondContact O-N 2.95Å |
| 1836 | E | 53 | Low | 57.6 | Low | 107 Ų | 107 | 79.4 Ų | 79.4 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -85.1 | -37.1 | 168 | -65.7 | -48.1 | 137.7 | 0 | 0 | 109.5 | K1832 S1833 E1834 I1838 K1839 A1840 | K1832-E1836 WeakPolarHBondContact O-CB 2.83Å; K1832-E1836 WeakPolarHBondContact O-CG 3.27Å; K1832-E1836 PolarHBondContact O-N 2.71Å; S1833-E1836 PolarHBondContact O-N 3.34Å; E1834-E1836 VanDerWaalsContact C-N 3.26Å; E1834-E1836 PolarHBondContact O-N 2.81Å; E1836-I1838 VanDerWaalsContact C-N 3.28Å; E1836-I1838 PolarHBondContact O-N 2.99Å; E1836-K1839 PolarHBondContact O-N 2.8Å; E1836-K1839 WeakPolarHBondContact OE1-CD 2.83Å; E1836-K1839 IonicContact OE1-NZ 3.91Å; E1836-K1839 PolarHBondContact OE1-NZ 3.07Å; E1836-K1839 WeakPolarHBondContact OE2-CD 3.29Å; E1836-A1840 VanDerWaalsContact O-CB 3.23Å; E1836-A1840 WeakPolarHBondContact O-CB 3.33Å; E1836-A1840 PolarHBondContact O-N 3.43Å |
| 1837 | L | 57.6 | Low | 57.3 | Low | 123 Ų | 123 | 79.5 Ų | 79.5 | 64% | 0.644 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.8 | -31.4 | 168.7 | -149.2 | 81.3 | 0 | 0 | 0 | 112.3 | S1833 E1834 E1841 | S1833-L1837 WeakPolarHBondContact O-CB 3.3Å; S1833-L1837 PolarHBondContact O-N 2.98Å; E1834-L1837 CarbonylContact O-C 2.81Å; E1834-L1837 PolarHBondContact O-N 3.35Å; L1837-E1841 WeakPolarHBondContact O-CA 2.9Å; L1837-E1841 WeakPolarHBondContact O-CB 3Å; L1837-E1841 PolarHBondContact O-N 3.32Å |
| 1838 | I | 46.2 | Very low | 57.5 | Low | 37 Ų | 37 | 82.6 Ų | 82.6 | 19% | 0.19 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -98.5 | -2.9 | 177.3 | -57.2 | 160.3 | 0 | 0 | 0 | 110.2 | Q1619 E1834 L1835 E1836 K1842 | Q1619-I1838 HydrophobicContact CG-CD1 4.04Å; E1834-I1838 HydrophobicContact CB-CD1 3.75Å; E1834-I1838 HydrophobicContact CB-CG1 4.3Å; E1834-I1838 VanDerWaalsContact O-CA 3.26Å; E1834-I1838 WeakPolarHBondContact O-CA 3.14Å; E1834-I1838 WeakPolarHBondContact O-CB 3.5Å; E1834-I1838 WeakPolarHBondContact O-CD1 2.96Å; E1834-I1838 WeakPolarHBondContact O-CG1 3.15Å; E1834-I1838 PolarHBondContact O-N 2.83Å; L1835-I1838 CarbonylContact O-C 3.18Å; E1836-I1838 VanDerWaalsContact C-N 3.28Å; E1836-I1838 PolarHBondContact O-N 2.99Å; I1838-K1842 HydrophobicContact CG2-CB 4.47Å; I1838-K1842 VanDerWaalsContact O-CA 3.3Å; I1838-K1842 WeakPolarHBondContact O-CA 3.43Å; I1838-K1842 WeakPolarHBondContact O-CB 3.28Å; I1838-K1842 PolarHBondContact O-N 2.72Å |
| 1839 | K | 58.2 | Low | 57 | Low | 98 Ų | 98 | 82 Ų | 82 | 43% | 0.426 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -90 | -35.2 | 158 | -82.9 | 159.3 | -166.3 | 172.6 | 0 | 109.7 | L1835 E1836 H1843 | L1835-K1839 WeakPolarHBondContact O-CA 3.04Å; L1835-K1839 WeakPolarHBondContact O-CB 3.03Å; L1835-K1839 WeakPolarHBondContact O-CD 3.28Å; L1835-K1839 WeakPolarHBondContact O-CG 2.99Å; L1835-K1839 PolarHBondContact O-N 2.95Å; E1836-K1839 PolarHBondContact O-N 2.8Å; E1836-K1839 WeakPolarHBondContact OE1-CD 2.83Å; E1836-K1839 IonicContact OE1-NZ 3.91Å; E1836-K1839 PolarHBondContact OE1-NZ 3.07Å; E1836-K1839 WeakPolarHBondContact OE2-CD 3.29Å; K1839-H1843 WeakPolarHBondContact O-CB 3.06Å; K1839-H1843 PolarHBondContact O-N 3.23Å |
| 1840 | A | 56 | Low | 56.5 | Low | 48 Ų | 48 | 81 Ų | 81 | 40% | 0.397 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.9 | -50.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110 | E1836 H1843 R1844 | E1836-A1840 VanDerWaalsContact O-CB 3.23Å; E1836-A1840 WeakPolarHBondContact O-CB 3.33Å; E1836-A1840 PolarHBondContact O-N 3.43Å; A1840-H1843 PolarHBondContact O-N 2.87Å; A1840-R1844 WeakPolarHBondContact O-CB 3.41Å; A1840-R1844 PolarHBondContact O-N 3.39Å |
| 1841 | E | 59.2 | Low | 57.1 | Low | 60 Ų | 60 | 81.9 Ų | 81.9 | 28% | 0.28 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.5 | -38 | 173.3 | -163.5 | 61.6 | -130 | 0 | 0 | 110.3 | L1837 H1843 R1844 E1845 | L1837-E1841 WeakPolarHBondContact O-CA 2.9Å; L1837-E1841 WeakPolarHBondContact O-CB 3Å; L1837-E1841 PolarHBondContact O-N 3.32Å; E1841-H1843 VanDerWaalsContact C-N 3.35Å; E1841-H1843 PolarHBondContact O-N 3.33Å; E1841-R1844 CarbonylContact O-C 3.3Å; E1841-R1844 WeakPolarHBondContact O-CA 3.2Å; E1841-R1844 WeakPolarHBondContact O-CB 3.23Å; E1841-R1844 PolarHBondContact O-N 2.82Å; E1841-R1844 WeakPolarHBondContact OE1-CD 3.11Å; E1841-R1844 IonicContact OE2-CZ 3.11Å; E1841-R1844 IonicContact OE2-NE 3.75Å; E1841-R1844 IonicContact OE2-NH1 2.76Å; E1841-R1844 PolarHBondContact OE2-NH1 3.46Å; E1841-E1845 HydrophobicContact CG-CG 4.25Å; E1841-E1845 VanDerWaalsContact O-CG 3.31Å; E1841-E1845 WeakPolarHBondContact O-CG 3.5Å; E1841-E1845 PolarHBondContact O-N 3.24Å |
| 1842 | K | 59.5 | Low | 57.6 | Low | 133 Ų | 133 | 83.9 Ų | 83.9 | 58% | 0.578 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -75.3 | -16 | 174 | -168.5 | 167.7 | -179.9 | 169.3 | 0 | 114.9 | I1838 E1845 L1846 | I1838-K1842 HydrophobicContact CG2-CB 4.47Å; I1838-K1842 VanDerWaalsContact O-CA 3.3Å; I1838-K1842 WeakPolarHBondContact O-CA 3.43Å; I1838-K1842 WeakPolarHBondContact O-CB 3.28Å; I1838-K1842 PolarHBondContact O-N 2.72Å; K1842-E1845 CarbonylContact O-C 3.56Å; K1842-L1846 VanDerWaalsContact O-CB 3.23Å; K1842-L1846 WeakPolarHBondContact O-CB 3.37Å; K1842-L1846 PolarHBondContact O-N 2.96Å |
| 1843 | H | 55.3 | Low | 57.1 | Low | 122 Ų | 122 | 84.9 Ų | 84.9 | 57% | 0.565 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -71.4 | -43.2 | 160.4 | -117.7 | -72.6 | 0 | 0 | 0 | 109.6 | K1839 A1840 E1841 E1845 L1846 E1847 | K1839-H1843 WeakPolarHBondContact O-CB 3.06Å; K1839-H1843 PolarHBondContact O-N 3.23Å; A1840-H1843 PolarHBondContact O-N 2.87Å; E1841-H1843 VanDerWaalsContact C-N 3.35Å; E1841-H1843 PolarHBondContact O-N 3.33Å; H1843-E1845 VanDerWaalsContact C-N 3.26Å; H1843-E1845 PolarHBondContact O-N 2.63Å; H1843-L1846 WeakPolarHBondContact O-CB 3.47Å; H1843-L1846 PolarHBondContact O-N 2.84Å; H1843-L1846 VanDerWaalsContact O-N 3.12Å; H1843-E1847 WeakPolarHBondContact O-CG 3.4Å; H1843-E1847 PolarHBondContact O-N 2.96Å |
| 1844 | R | 62.6 | Low | 57.4 | Low | 128 Ų | 128 | 89.2 Ų | 89.2 | 48% | 0.483 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.5 | -26.8 | 171.8 | -150.7 | 176.6 | -62 | 152.2 | -2.1 | 112.5 | A1840 E1841 N1848 | A1840-R1844 WeakPolarHBondContact O-CB 3.41Å; A1840-R1844 PolarHBondContact O-N 3.39Å; E1841-R1844 CarbonylContact O-C 3.3Å; E1841-R1844 WeakPolarHBondContact O-CA 3.2Å; E1841-R1844 WeakPolarHBondContact O-CB 3.23Å; E1841-R1844 PolarHBondContact O-N 2.82Å; E1841-R1844 WeakPolarHBondContact OE1-CD 3.11Å; E1841-R1844 IonicContact OE2-CZ 3.11Å; E1841-R1844 IonicContact OE2-NE 3.75Å; E1841-R1844 IonicContact OE2-NH1 2.76Å; E1841-R1844 PolarHBondContact OE2-NH1 3.46Å; R1844-N1848 WeakPolarHBondContact O-CA 3.47Å; R1844-N1848 WeakPolarHBondContact O-CB 3.37Å; R1844-N1848 PolarHBondContact O-N 2.76Å; R1844-N1848 PolarHBondContact O-ND2 3.4Å; R1844-N1848 VanDerWaalsContact O-ND2 3.08Å; R1844-N1848 PolarHBondContact O-OD1 3.45Å |
| 1845 | E | 57.1 | Low | 57.5 | Low | 75 Ų | 75 | 91.2 Ų | 91.2 | 35% | 0.35 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -92 | -16.6 | 172.9 | -61.2 | 171 | 139.7 | 0 | 0 | 111.5 | E1841 K1842 H1843 E1847 S1849 | E1841-E1845 HydrophobicContact CG-CG 4.25Å; E1841-E1845 VanDerWaalsContact O-CG 3.31Å; E1841-E1845 WeakPolarHBondContact O-CG 3.5Å; E1841-E1845 PolarHBondContact O-N 3.24Å; K1842-E1845 CarbonylContact O-C 3.56Å; H1843-E1845 VanDerWaalsContact C-N 3.26Å; H1843-E1845 PolarHBondContact O-N 2.63Å; E1845-E1847 VanDerWaalsContact C-N 3.34Å; E1845-S1849 VanDerWaalsContact O-CA 3.26Å; E1845-S1849 WeakPolarHBondContact O-CA 3.25Å; E1845-S1849 WeakPolarHBondContact O-CB 3.47Å; E1845-S1849 PolarHBondContact O-N 3.45Å; E1845-S1849 PolarHBondContact O-OG 2.98Å |
| 1846 | L | 60.6 | Low | 57.5 | Low | 102 Ų | 102 | 90.3 Ų | 90.3 | 53% | 0.534 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -74.1 | -37.1 | 164.4 | -168.4 | 70.9 | 0 | 0 | 0 | 108.4 | K1842 H1843 N1850 | K1842-L1846 VanDerWaalsContact O-CB 3.23Å; K1842-L1846 WeakPolarHBondContact O-CB 3.37Å; K1842-L1846 PolarHBondContact O-N 2.96Å; H1843-L1846 WeakPolarHBondContact O-CB 3.47Å; H1843-L1846 PolarHBondContact O-N 2.84Å; H1843-L1846 VanDerWaalsContact O-N 3.12Å; L1846-N1850 WeakPolarHBondContact O-CB 3.38Å; L1846-N1850 PolarHBondContact O-N 3.25Å; L1846-N1850 PolarHBondContact O-ND2 3Å |
| 1847 | E | 57.6 | Low | 57.8 | Low | 131 Ų | 131 | 88.1 Ų | 88.1 | 61% | 0.612 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -75.2 | -41.3 | 171.5 | -68 | -177.9 | 150.1 | 0 | 0 | 111.8 | H1843 E1845 S1849 N1850 S1851 | H1843-E1847 WeakPolarHBondContact O-CG 3.4Å; H1843-E1847 PolarHBondContact O-N 2.96Å; E1845-E1847 VanDerWaalsContact C-N 3.34Å; E1847-S1849 VanDerWaalsContact C-N 3.33Å; E1847-S1849 PolarHBondContact O-N 3.34Å; E1847-N1850 CarbonylContact O-C 3.5Å; E1847-N1850 WeakPolarHBondContact O-CA 3.24Å; E1847-N1850 WeakPolarHBondContact O-CB 3.09Å; E1847-N1850 PolarHBondContact O-N 3.06Å; E1847-S1851 PolarHBondContact O-N 2.7Å |
| 1848 | N | 62.4 | Low | 58 | Low | 72 Ų | 72 | 86.2 Ų | 86.2 | 39% | 0.385 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -75.2 | -17.8 | 172.8 | -61.9 | -26.7 | 0 | 0 | 0 | 112.1 | R1844 S1851 I1852 | R1844-N1848 WeakPolarHBondContact O-CA 3.47Å; R1844-N1848 WeakPolarHBondContact O-CB 3.37Å; R1844-N1848 PolarHBondContact O-N 2.76Å; R1844-N1848 PolarHBondContact O-ND2 3.4Å; R1844-N1848 VanDerWaalsContact O-ND2 3.08Å; R1844-N1848 PolarHBondContact O-OD1 3.45Å; N1848-S1851 WeakPolarHBondContact CA-OG 3.06Å; N1848-S1851 CarbonylContact O-C 3.6Å; N1848-S1851 VanDerWaalsContact O-C 3.32Å; N1848-S1851 WeakPolarHBondContact O-CA 3.29Å; N1848-S1851 WeakPolarHBondContact O-CB 3.29Å; N1848-S1851 PolarHBondContact O-N 3.26Å; N1848-S1851 PolarHBondContact O-OG 2.7Å; N1848-I1852 WeakPolarHBondContact O-CB 3.47Å; N1848-I1852 WeakPolarHBondContact O-CG1 3.44Å; N1848-I1852 PolarHBondContact O-N 3.17Å |
| 1849 | S | 52.9 | Low | 58.6 | Low | 55 Ų | 55 | 87.9 Ų | 87.9 | 39% | 0.385 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -89 | -18.2 | 165.3 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | E1845 E1847 I1852 L1853 | E1845-S1849 VanDerWaalsContact O-CA 3.26Å; E1845-S1849 WeakPolarHBondContact O-CA 3.25Å; E1845-S1849 WeakPolarHBondContact O-CB 3.47Å; E1845-S1849 PolarHBondContact O-N 3.45Å; E1845-S1849 PolarHBondContact O-OG 2.98Å; E1847-S1849 VanDerWaalsContact C-N 3.33Å; E1847-S1849 PolarHBondContact O-N 3.34Å; S1849-I1852 CarbonylContact O-C 3.06Å; S1849-I1852 PolarHBondContact O-N 2.88Å; S1849-L1853 VanDerWaalsContact O-CB 3.24Å; S1849-L1853 WeakPolarHBondContact O-CB 3.07Å; S1849-L1853 WeakPolarHBondContact O-CD1 3.38Å; S1849-L1853 WeakPolarHBondContact O-CG 3.03Å; S1849-L1853 PolarHBondContact O-N 2.65Å |
| 1850 | N | 54.5 | Low | 58.5 | Low | 82 Ų | 82 | 87.6 Ų | 87.6 | 44% | 0.439 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -72.9 | -23.4 | 155.3 | -82.9 | -73.6 | 0 | 0 | 0 | 110.9 | L1846 E1847 R1854 | L1846-N1850 WeakPolarHBondContact O-CB 3.38Å; L1846-N1850 PolarHBondContact O-N 3.25Å; L1846-N1850 PolarHBondContact O-ND2 3Å; E1847-N1850 CarbonylContact O-C 3.5Å; E1847-N1850 WeakPolarHBondContact O-CA 3.24Å; E1847-N1850 WeakPolarHBondContact O-CB 3.09Å; E1847-N1850 PolarHBondContact O-N 3.06Å; N1850-R1854 VanDerWaalsContact O-CZ 3.32Å; N1850-R1854 PolarHBondContact O-NE 3.09Å; N1850-R1854 PolarHBondContact O-NH2 2.85Å |
| 1851 | S | 71.9 | Confident | 58.7 | Low | 50 Ų | 50 | 88.1 Ų | 88.1 | 35% | 0.35 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -77.9 | -33.5 | 166.1 | 103.6 | 0 | 0 | 0 | 0 | 111.7 | E1847 N1848 R1854 E1855 | E1847-S1851 PolarHBondContact O-N 2.7Å; N1848-S1851 WeakPolarHBondContact CA-OG 3.06Å; N1848-S1851 CarbonylContact O-C 3.6Å; N1848-S1851 VanDerWaalsContact O-C 3.32Å; N1848-S1851 WeakPolarHBondContact O-CA 3.29Å; N1848-S1851 WeakPolarHBondContact O-CB 3.29Å; N1848-S1851 PolarHBondContact O-N 3.26Å; N1848-S1851 PolarHBondContact O-OG 2.7Å; S1851-R1854 CarbonylContact O-C 3.55Å; S1851-R1854 WeakPolarHBondContact O-CA 3.24Å; S1851-R1854 VanDerWaalsContact O-CB 3.3Å; S1851-R1854 WeakPolarHBondContact O-CB 3.41Å; S1851-R1854 PolarHBondContact O-N 2.78Å; S1851-E1855 WeakPolarHBondContact O-CB 2.87Å; S1851-E1855 PolarHBondContact O-N 2.6Å |
| 1852 | I | 63.3 | Low | 59 | Low | 75 Ų | 75 | 87.3 Ų | 87.3 | 39% | 0.385 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -90.7 | -10.8 | 179.2 | -65.6 | 159.8 | 0 | 0 | 0 | 112.8 | N1848 S1849 R1854 E1855 L1856 | N1848-I1852 WeakPolarHBondContact O-CB 3.47Å; N1848-I1852 WeakPolarHBondContact O-CG1 3.44Å; N1848-I1852 PolarHBondContact O-N 3.17Å; S1849-I1852 CarbonylContact O-C 3.06Å; S1849-I1852 PolarHBondContact O-N 2.88Å; I1852-R1854 VanDerWaalsContact C-N 3.32Å; I1852-E1855 HydrophobicContact CB-CB 4.29Å; I1852-E1855 HydrophobicContact CG1-CB 4.11Å; I1852-E1855 HydrophobicContact CG2-CB 4.5Å; I1852-E1855 CarbonylContact O-C 3.45Å; I1852-E1855 PolarHBondContact O-N 3.06Å; I1852-L1856 HydrophobicContact CG2-CG 4.34Å; I1852-L1856 WeakPolarHBondContact O-CA 2.84Å; I1852-L1856 WeakPolarHBondContact O-CB 3.24Å; I1852-L1856 WeakPolarHBondContact O-CD1 3.46Å; I1852-L1856 WeakPolarHBondContact O-CG 3.38Å; I1852-L1856 PolarHBondContact O-N 3.14Å |
| 1853 | L | 50.4 | Low | 59 | Low | 113 Ų | 113 | 82.9 Ų | 82.9 | 59% | 0.592 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -74.1 | -30.2 | 158.3 | -77.3 | 164.2 | 0 | 0 | 0 | 110.6 | S1849 L1856 A1857 | S1849-L1853 VanDerWaalsContact O-CB 3.24Å; S1849-L1853 WeakPolarHBondContact O-CB 3.07Å; S1849-L1853 WeakPolarHBondContact O-CD1 3.38Å; S1849-L1853 WeakPolarHBondContact O-CG 3.03Å; S1849-L1853 PolarHBondContact O-N 2.65Å; L1853-L1856 HydrophobicContact CD2-CD1 4.19Å; L1853-A1857 PolarHBondContact O-N 2.63Å |
| 1854 | R | 64.5 | Low | 58.8 | Low | 167 Ų | 167 | 81.7 Ų | 81.7 | 63% | 0.63 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -75.5 | -37.1 | 165.2 | -80.8 | 170.7 | -78.8 | 173.6 | -3.9 | 111.7 | N1850 S1851 I1852 L1856 A1857 N1858 | N1850-R1854 VanDerWaalsContact O-CZ 3.32Å; N1850-R1854 PolarHBondContact O-NE 3.09Å; N1850-R1854 PolarHBondContact O-NH2 2.85Å; S1851-R1854 CarbonylContact O-C 3.55Å; S1851-R1854 WeakPolarHBondContact O-CA 3.24Å; S1851-R1854 VanDerWaalsContact O-CB 3.3Å; S1851-R1854 WeakPolarHBondContact O-CB 3.41Å; S1851-R1854 PolarHBondContact O-N 2.78Å; I1852-R1854 VanDerWaalsContact C-N 3.32Å; R1854-L1856 VanDerWaalsContact C-N 3.29Å; R1854-L1856 PolarHBondContact O-N 2.76Å; R1854-A1857 CarbonylContact O-C 3.46Å; R1854-A1857 WeakPolarHBondContact O-CA 3.12Å; R1854-A1857 WeakPolarHBondContact O-CB 3.42Å; R1854-A1857 PolarHBondContact O-N 3.43Å; R1854-A1857 VanDerWaalsContact O-N 3.13Å; R1854-N1858 PolarHBondContact O-N 2.62Å |
| 1855 | E | 55.5 | Low | 58.8 | Low | 60 Ų | 60 | 82 Ų | 82 | 28% | 0.28 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -76.7 | -15 | 174.2 | -158.7 | 49.5 | -136.1 | 0 | 0 | 111.8 | S1851 I1852 N1858 Q1859 | S1851-E1855 WeakPolarHBondContact O-CB 2.87Å; S1851-E1855 PolarHBondContact O-N 2.6Å; I1852-E1855 HydrophobicContact CB-CB 4.29Å; I1852-E1855 HydrophobicContact CG1-CB 4.11Å; I1852-E1855 HydrophobicContact CG2-CB 4.5Å; I1852-E1855 CarbonylContact O-C 3.45Å; I1852-E1855 PolarHBondContact O-N 3.06Å; E1855-N1858 WeakPolarHBondContact OE1-CB 3.12Å; E1855-N1858 WeakPolarHBondContact OE2-CB 3.02Å; E1855-N1858 PolarHBondContact OE2-ND2 2.84Å; E1855-Q1859 HydrophobicContact CG-CG 4.22Å; E1855-Q1859 VanDerWaalsContact O-CA 3.31Å; E1855-Q1859 WeakPolarHBondContact O-CA 3.14Å; E1855-Q1859 WeakPolarHBondContact O-CB 3.46Å; E1855-Q1859 WeakPolarHBondContact O-CG 3.29Å; E1855-Q1859 PolarHBondContact O-N 3.39Å |
| 1856 | L | 49.3 | Very low | 58.9 | Low | 59 Ų | 59 | 80.5 Ų | 80.5 | 31% | 0.309 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -77.6 | -29.3 | 166 | -83.5 | 162.3 | 0 | 0 | 0 | 110.3 | I1852 L1853 R1854 T1860 | I1852-L1856 HydrophobicContact CG2-CG 4.34Å; I1852-L1856 WeakPolarHBondContact O-CA 2.84Å; I1852-L1856 WeakPolarHBondContact O-CB 3.24Å; I1852-L1856 WeakPolarHBondContact O-CD1 3.46Å; I1852-L1856 WeakPolarHBondContact O-CG 3.38Å; I1852-L1856 PolarHBondContact O-N 3.14Å; L1853-L1856 HydrophobicContact CD2-CD1 4.19Å; R1854-L1856 VanDerWaalsContact C-N 3.29Å; R1854-L1856 PolarHBondContact O-N 2.76Å; L1856-T1860 VanDerWaalsContact O-CB 3.29Å; L1856-T1860 WeakPolarHBondContact O-CB 3.22Å; L1856-T1860 PolarHBondContact O-N 3.47Å; L1856-T1860 PolarHBondContact O-OG1 3.06Å |
| 1857 | A | 58.2 | Low | 58.7 | Low | 61 Ų | 61 | 77 Ų | 77 | 50% | 0.504 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -73.6 | -44.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1853 R1854 T1860 A1861 | L1853-A1857 PolarHBondContact O-N 2.63Å; R1854-A1857 CarbonylContact O-C 3.46Å; R1854-A1857 WeakPolarHBondContact O-CA 3.12Å; R1854-A1857 WeakPolarHBondContact O-CB 3.42Å; R1854-A1857 PolarHBondContact O-N 3.43Å; R1854-A1857 VanDerWaalsContact O-N 3.13Å; A1857-T1860 WeakPolarHBondContact O-CB 3.41Å; A1857-T1860 PolarHBondContact O-N 2.74Å; A1857-T1860 VanDerWaalsContact O-N 3.13Å; A1857-A1861 PolarHBondContact O-N 2.98Å |
| 1858 | N | 62.5 | Low | 58.8 | Low | 82 Ų | 82 | 75.4 Ų | 75.4 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 173.1 | -65.1 | -21.7 | 0 | 0 | 0 | 110.8 | R1854 E1855 T1860 A1861 I1862 | R1854-N1858 PolarHBondContact O-N 2.62Å; E1855-N1858 WeakPolarHBondContact OE1-CB 3.12Å; E1855-N1858 WeakPolarHBondContact OE2-CB 3.02Å; E1855-N1858 PolarHBondContact OE2-ND2 2.84Å; N1858-T1860 PolarHBondContact O-N 2.63Å; N1858-A1861 CarbonylContact O-C 3.29Å; N1858-A1861 WeakPolarHBondContact O-CA 3.49Å; N1858-A1861 WeakPolarHBondContact O-CB 3.16Å; N1858-A1861 PolarHBondContact O-N 2.74Å; N1858-I1862 HydrophobicContact CB-CD1 4.44Å; N1858-I1862 WeakPolarHBondContact O-CB 3.03Å; N1858-I1862 VanDerWaalsContact O-CG1 3.24Å; N1858-I1862 WeakPolarHBondContact O-CG1 3.23Å; N1858-I1862 PolarHBondContact O-N 2.78Å |
| 1859 | Q | 59.3 | Low | 58.9 | Low | 72 Ų | 72 | 76.6 Ų | 76.6 | 34% | 0.336 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.9 | -30.6 | 170.2 | -74.4 | 171.2 | 21.7 | 0 | 0 | 111 | E1855 I1862 K1863 | E1855-Q1859 HydrophobicContact CG-CG 4.22Å; E1855-Q1859 VanDerWaalsContact O-CA 3.31Å; E1855-Q1859 WeakPolarHBondContact O-CA 3.14Å; E1855-Q1859 WeakPolarHBondContact O-CB 3.46Å; E1855-Q1859 WeakPolarHBondContact O-CG 3.29Å; E1855-Q1859 PolarHBondContact O-N 3.39Å; Q1859-I1862 CarbonylContact O-C 3.46Å; Q1859-I1862 PolarHBondContact O-N 3.02Å; Q1859-K1863 WeakPolarHBondContact O-CA 3.11Å; Q1859-K1863 WeakPolarHBondContact O-CB 3.39Å; Q1859-K1863 WeakPolarHBondContact O-CG 3.38Å; Q1859-K1863 PolarHBondContact O-N 2.84Å |
| 1860 | T | 55.8 | Low | 59.3 | Low | 93 Ų | 93 | 74.5 Ų | 74.5 | 57% | 0.571 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.4 | -43.4 | 170.4 | -62.9 | 0 | 0 | 0 | 0 | 110.6 | L1856 A1857 N1858 K1863 Q1864 | L1856-T1860 VanDerWaalsContact O-CB 3.29Å; L1856-T1860 WeakPolarHBondContact O-CB 3.22Å; L1856-T1860 PolarHBondContact O-N 3.47Å; L1856-T1860 PolarHBondContact O-OG1 3.06Å; A1857-T1860 WeakPolarHBondContact O-CB 3.41Å; A1857-T1860 PolarHBondContact O-N 2.74Å; A1857-T1860 VanDerWaalsContact O-N 3.13Å; N1858-T1860 PolarHBondContact O-N 2.63Å; T1860-K1863 PolarHBondContact O-N 3.34Å; T1860-Q1864 WeakPolarHBondContact O-CB 3.39Å; T1860-Q1864 PolarHBondContact O-N 2.88Å |
| 1861 | A | 60.6 | Low | 59.5 | Low | 59 Ų | 59 | 75.4 Ų | 75.4 | 49% | 0.488 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.4 | -30.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1857 N1858 Q1864 R1865 | A1857-A1861 PolarHBondContact O-N 2.98Å; N1858-A1861 CarbonylContact O-C 3.29Å; N1858-A1861 WeakPolarHBondContact O-CA 3.49Å; N1858-A1861 WeakPolarHBondContact O-CB 3.16Å; N1858-A1861 PolarHBondContact O-N 2.74Å; A1861-Q1864 WeakPolarHBondContact O-CB 3.42Å; A1861-R1865 PolarHBondContact O-N 3.22Å |
| 1862 | I | 64.7 | Low | 58.9 | Low | 43 Ų | 43 | 75.8 Ų | 75.8 | 22% | 0.221 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -82 | -31.6 | 175.1 | -61.5 | 163.5 | 0 | 0 | 0 | 109.9 | N1858 Q1859 Q1864 R1865 E1866 | N1858-I1862 HydrophobicContact CB-CD1 4.44Å; N1858-I1862 WeakPolarHBondContact O-CB 3.03Å; N1858-I1862 VanDerWaalsContact O-CG1 3.24Å; N1858-I1862 WeakPolarHBondContact O-CG1 3.23Å; N1858-I1862 PolarHBondContact O-N 2.78Å; Q1859-I1862 CarbonylContact O-C 3.46Å; Q1859-I1862 PolarHBondContact O-N 3.02Å; I1862-Q1864 VanDerWaalsContact C-N 3.28Å; I1862-Q1864 PolarHBondContact O-N 3.06Å; I1862-R1865 CarbonylContact O-C 3.32Å; I1862-R1865 PolarHBondContact O-N 3.39Å; I1862-R1865 VanDerWaalsContact O-N 3.17Å; I1862-E1866 HydrophobicContact CG2-CG 4.31Å; I1862-E1866 VanDerWaalsContact CG2-OE1 3.22Å; I1862-E1866 WeakPolarHBondContact CG2-OE1 3.45Å; I1862-E1866 VanDerWaalsContact O-CB 3.3Å; I1862-E1866 WeakPolarHBondContact O-CB 3.37Å; I1862-E1866 WeakPolarHBondContact O-CG 3.43Å; I1862-E1866 PolarHBondContact O-N 3.17Å |
| 1863 | K | 59.6 | Low | 59 | Low | 40 Ų | 40 | 74.8 Ų | 74.8 | 17% | 0.174 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.4 | -36.4 | 167.1 | -68.1 | -139.4 | 161 | -173.9 | 0 | 109.6 | S1634 Q1859 T1860 L1867 S2085 R2088 | S1634-K1863 PolarHBondContact OG-NZ 3.01Å; Q1859-K1863 WeakPolarHBondContact O-CA 3.11Å; Q1859-K1863 WeakPolarHBondContact O-CB 3.39Å; Q1859-K1863 WeakPolarHBondContact O-CG 3.38Å; Q1859-K1863 PolarHBondContact O-N 2.84Å; T1860-K1863 PolarHBondContact O-N 3.34Å; K1863-L1867 WeakPolarHBondContact O-CB 3.34Å; K1863-L1867 PolarHBondContact O-N 3.4Å; K1863-S2085 PolarHBondContact NZ-OG 2.75Å; K1863-R2088 VanDerWaalsContact CA-NE 3.3Å; K1863-R2088 HydrophobicContact CD-CG 3.67Å; K1863-R2088 HydrophobicContact CG-CG 4.28Å |
| 1864 | Q | 50.5 | Low | 59.7 | Low | 97 Ų | 97 | 73.9 Ų | 73.9 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.1 | -36.2 | 170.9 | -162.8 | 68.3 | 51.3 | 0 | 0 | 112.8 | T1860 A1861 I1862 N1868 | T1860-Q1864 WeakPolarHBondContact O-CB 3.39Å; T1860-Q1864 PolarHBondContact O-N 2.88Å; A1861-Q1864 WeakPolarHBondContact O-CB 3.42Å; I1862-Q1864 VanDerWaalsContact C-N 3.28Å; I1862-Q1864 PolarHBondContact O-N 3.06Å; Q1864-N1868 PolarHBondContact O-N 3.25Å; Q1864-N1868 PolarHBondContact O-ND2 2.95Å |
| 1865 | R | 63 | Low | 59.7 | Low | 133 Ų | 133 | 69.9 Ų | 69.9 | 50% | 0.502 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.3 | -48 | 175.6 | -164.3 | -167.5 | -51.9 | 125.4 | 8.2 | 111.7 | A1861 I1862 L1867 N1868 E1869 | A1861-R1865 PolarHBondContact O-N 3.22Å; I1862-R1865 CarbonylContact O-C 3.32Å; I1862-R1865 PolarHBondContact O-N 3.39Å; I1862-R1865 VanDerWaalsContact O-N 3.17Å; R1865-L1867 PolarHBondContact O-N 3.01Å; R1865-N1868 CarbonylContact O-C 3.55Å; R1865-N1868 WeakPolarHBondContact O-CA 3.31Å; R1865-N1868 WeakPolarHBondContact O-CB 3.4Å; R1865-N1868 PolarHBondContact O-N 2.68Å; R1865-E1869 PolarHBondContact O-N 2.65Å |
| 1866 | E | 60.2 | Low | 60.2 | Low | 45 Ų | 45 | 69.5 Ų | 69.5 | 21% | 0.21 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.6 | -20.8 | 174.2 | -73 | -177.3 | -107.2 | 0 | 0 | 111.5 | I1862 E1869 T1870 R2088 L2091 | I1862-E1866 HydrophobicContact CG2-CG 4.31Å; I1862-E1866 VanDerWaalsContact CG2-OE1 3.22Å; I1862-E1866 WeakPolarHBondContact CG2-OE1 3.45Å; I1862-E1866 VanDerWaalsContact O-CB 3.3Å; I1862-E1866 WeakPolarHBondContact O-CB 3.37Å; I1862-E1866 WeakPolarHBondContact O-CG 3.43Å; I1862-E1866 PolarHBondContact O-N 3.17Å; E1866-E1869 CarbonylContact O-C 3.1Å; E1866-E1869 PolarHBondContact O-N 3.29Å; E1866-T1870 WeakPolarHBondContact O-CG2 3.28Å; E1866-T1870 PolarHBondContact O-N 3.43Å; E1866-R2088 VanDerWaalsContact CD-NH1 3.27Å; E1866-R2088 IonicContact OE1-CZ 3.56Å; E1866-R2088 IonicContact OE1-NH1 3.63Å; E1866-R2088 IonicContact OE1-NH2 3.81Å; E1866-R2088 PolarHBondContact OE1-NH2 2.82Å; E1866-R2088 IonicContact OE2-CZ 3.67Å; E1866-R2088 IonicContact OE2-NH1 2.75Å; E1866-R2088 PolarHBondContact OE2-NH1 3.17Å; E1866-R2088 IonicContact OE2-NH2 2.76Å; E1866-R2088 PolarHBondContact OE2-NH2 2.79Å; E1866-R2088 VanDerWaalsContact OE2-NH2 3.15Å; E1866-L2091 HydrophobicContact CB-CD2 4.38Å |
| 1867 | L | 56.2 | Low | 60.8 | Low | 27 Ų | 27 | 69.8 Ų | 69.8 | 14% | 0.141 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -75.9 | -24.6 | 166.8 | -175.1 | 146 | 0 | 0 | 0 | 113.3 | K1863 R1865 T1870 Q1871 T2084 | K1863-L1867 WeakPolarHBondContact O-CB 3.34Å; K1863-L1867 PolarHBondContact O-N 3.4Å; R1865-L1867 PolarHBondContact O-N 3.01Å; L1867-T1870 WeakPolarHBondContact CA-OG1 3.17Å; L1867-T1870 PolarHBondContact O-OG1 2.89Å; L1867-Q1871 PolarHBondContact O-N 2.73Å; L1867-T2084 HydrophobicContact CD1-CG2 3.96Å |
| 1868 | N | 59.6 | Low | 61.2 | Low | 99 Ų | 99 | 70.5 Ų | 70.5 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -78.1 | -33.5 | 165.7 | -60.5 | -34.5 | 0 | 0 | 0 | 110.8 | Q1864 R1865 T1870 Q1871 A1872 | Q1864-N1868 PolarHBondContact O-N 3.25Å; Q1864-N1868 PolarHBondContact O-ND2 2.95Å; R1865-N1868 CarbonylContact O-C 3.55Å; R1865-N1868 WeakPolarHBondContact O-CA 3.31Å; R1865-N1868 WeakPolarHBondContact O-CB 3.4Å; R1865-N1868 PolarHBondContact O-N 2.68Å; N1868-T1870 VanDerWaalsContact C-N 3.33Å; N1868-Q1871 WeakPolarHBondContact O-CB 3.26Å; N1868-Q1871 PolarHBondContact O-N 2.83Å; N1868-A1872 PolarHBondContact O-N 2.98Å |
| 1869 | E | 65.2 | Low | 61.4 | Low | 96 Ų | 96 | 71.1 Ų | 71.1 | 45% | 0.449 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.5 | -24.2 | 171.8 | -61.3 | 162.5 | -157 | 0 | 0 | 111.5 | R1865 E1866 S1873 | R1865-E1869 PolarHBondContact O-N 2.65Å; E1866-E1869 CarbonylContact O-C 3.1Å; E1866-E1869 PolarHBondContact O-N 3.29Å; E1869-S1873 WeakPolarHBondContact O-CB 3.49Å; E1869-S1873 PolarHBondContact O-N 2.75Å; E1869-S1873 PolarHBondContact O-OG 2.87Å |
| 1870 | T | 60.7 | Low | 61.7 | Low | 12 Ų | 12 | 71.5 Ų | 71.5 | 7% | 0.074 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -72.1 | -42.5 | 164.7 | 71.5 | 0 | 0 | 0 | 0 | 110.3 | E1866 L1867 N1868 A1872 S1873 L1874 S2087 L2091 | E1866-T1870 WeakPolarHBondContact O-CG2 3.28Å; E1866-T1870 PolarHBondContact O-N 3.43Å; L1867-T1870 WeakPolarHBondContact CA-OG1 3.17Å; L1867-T1870 PolarHBondContact O-OG1 2.89Å; N1868-T1870 VanDerWaalsContact C-N 3.33Å; T1870-A1872 PolarHBondContact O-N 2.88Å; T1870-S1873 CarbonylContact O-C 3.15Å; T1870-S1873 PolarHBondContact O-N 2.78Å; T1870-S1873 VanDerWaalsContact O-N 3.13Å; T1870-L1874 WeakPolarHBondContact O-CA 3.46Å; T1870-L1874 WeakPolarHBondContact O-CB 3.26Å; T1870-L1874 PolarHBondContact O-N 3.25Å; T1870-S2087 WeakPolarHBondContact CG2-O 3.01Å; T1870-L2091 HydrophobicContact CG2-CB 3.77Å; T1870-L2091 HydrophobicContact CG2-CD1 3.4Å; T1870-L2091 HydrophobicContact CG2-CD2 3.37Å; T1870-L2091 HydrophobicContact CG2-CG 3.62Å |
| 1871 | Q | 58.3 | Low | 62.3 | Low | 100 Ų | 100 | 70.4 Ų | 70.4 | 47% | 0.467 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.2 | -40.7 | 174.7 | -157.2 | 73.3 | 33.6 | 0 | 0 | 110.8 | L1867 N1868 N1875 | L1867-Q1871 PolarHBondContact O-N 2.73Å; N1868-Q1871 WeakPolarHBondContact O-CB 3.26Å; N1868-Q1871 PolarHBondContact O-N 2.83Å; Q1871-N1875 WeakPolarHBondContact O-CB 3.21Å; Q1871-N1875 PolarHBondContact O-N 3.07Å; Q1871-N1875 PolarHBondContact O-OD1 2.92Å |
| 1872 | A | 60.5 | Low | 62.4 | Low | 58 Ų | 58 | 74 Ų | 74 | 48% | 0.479 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.3 | -43.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1868 T1870 L1874 N1875 A1876 | N1868-A1872 PolarHBondContact O-N 2.98Å; T1870-A1872 PolarHBondContact O-N 2.88Å; A1872-L1874 VanDerWaalsContact C-N 3.27Å; A1872-L1874 PolarHBondContact O-N 2.73Å; A1872-N1875 PolarHBondContact O-N 3.04Å; A1872-A1876 WeakPolarHBondContact O-CB 2.94Å; A1872-A1876 PolarHBondContact O-N 2.62Å |
| 1873 | S | 64.7 | Low | 62.6 | Low | 55 Ų | 55 | 77.5 Ų | 77.5 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.6 | -22.5 | 176.6 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | E1869 T1870 S1877 | E1869-S1873 WeakPolarHBondContact O-CB 3.49Å; E1869-S1873 PolarHBondContact O-N 2.75Å; E1869-S1873 PolarHBondContact O-OG 2.87Å; T1870-S1873 CarbonylContact O-C 3.15Å; T1870-S1873 PolarHBondContact O-N 2.78Å; T1870-S1873 VanDerWaalsContact O-N 3.13Å; S1873-S1877 WeakPolarHBondContact O-CA 3.15Å; S1873-S1877 WeakPolarHBondContact O-CB 3.31Å; S1873-S1877 PolarHBondContact O-N 3.34Å; S1873-S1877 PolarHBondContact O-OG 3.21Å |
| 1874 | L | 65.1 | Low | 63.1 | Low | 94 Ų | 94 | 77.5 Ų | 77.5 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -82 | -36.3 | 176.3 | 178.8 | 65.4 | 0 | 0 | 0 | 110.2 | T1870 A1872 S1877 L1878 | T1870-L1874 WeakPolarHBondContact O-CA 3.46Å; T1870-L1874 WeakPolarHBondContact O-CB 3.26Å; T1870-L1874 PolarHBondContact O-N 3.25Å; A1872-L1874 VanDerWaalsContact C-N 3.27Å; A1872-L1874 PolarHBondContact O-N 2.73Å; L1874-S1877 CarbonylContact O-C 3.02Å; L1874-S1877 PolarHBondContact O-N 2.71Å; L1874-L1878 WeakPolarHBondContact O-CB 3.1Å; L1874-L1878 WeakPolarHBondContact O-CG 3.25Å; L1874-L1878 PolarHBondContact O-N 2.75Å |
| 1875 | N | 63.7 | Low | 63.8 | Low | 82 Ų | 82 | 75 Ų | 75 | 44% | 0.439 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.1 | -46.3 | 166.9 | -70.1 | -8.5 | 0 | 0 | 0 | 110.6 | Q1871 A1872 S1877 L1878 D1879 | Q1871-N1875 WeakPolarHBondContact O-CB 3.21Å; Q1871-N1875 PolarHBondContact O-N 3.07Å; Q1871-N1875 PolarHBondContact O-OD1 2.92Å; A1872-N1875 PolarHBondContact O-N 3.04Å; N1875-S1877 PolarHBondContact O-N 2.64Å; N1875-L1878 CarbonylContact O-C 3.43Å; N1875-L1878 WeakPolarHBondContact O-CA 3.4Å; N1875-L1878 VanDerWaalsContact O-CB 3.23Å; N1875-L1878 WeakPolarHBondContact O-CB 3.23Å; N1875-L1878 PolarHBondContact O-N 2.69Å; N1875-D1879 PolarHBondContact O-N 3.45Å |
| 1876 | A | 65.8 | Low | 63.8 | Low | 52 Ų | 52 | 73.1 Ų | 73.1 | 43% | 0.43 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.1 | -31.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1872 L1878 E1880 | A1872-A1876 WeakPolarHBondContact O-CB 2.94Å; A1872-A1876 PolarHBondContact O-N 2.62Å; A1876-L1878 VanDerWaalsContact C-N 3.3Å; A1876-E1880 WeakPolarHBondContact O-CB 3.37Å; A1876-E1880 PolarHBondContact O-N 3.13Å |
| 1877 | S | 62.5 | Low | 64.4 | Low | 66 Ų | 66 | 71.1 Ų | 71.1 | 46% | 0.462 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -80.9 | -6 | 170.4 | -62.5 | 0 | 0 | 0 | 0 | 113.7 | S1873 L1874 N1875 K1881 | S1873-S1877 WeakPolarHBondContact O-CA 3.15Å; S1873-S1877 WeakPolarHBondContact O-CB 3.31Å; S1873-S1877 PolarHBondContact O-N 3.34Å; S1873-S1877 PolarHBondContact O-OG 3.21Å; L1874-S1877 CarbonylContact O-C 3.02Å; L1874-S1877 PolarHBondContact O-N 2.71Å; N1875-S1877 PolarHBondContact O-N 2.64Å; S1877-K1881 WeakPolarHBondContact O-CB 3.31Å; S1877-K1881 PolarHBondContact O-N 2.72Å |
| 1878 | L | 67.6 | Low | 65 | Low | 76 Ų | 76 | 70.6 Ų | 70.6 | 40% | 0.398 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -86.5 | -43.8 | 166.7 | -93.6 | 157.3 | 0 | 0 | 0 | 108.9 | L1874 N1875 A1876 K1881 E1882 | L1874-L1878 WeakPolarHBondContact O-CB 3.1Å; L1874-L1878 WeakPolarHBondContact O-CG 3.25Å; L1874-L1878 PolarHBondContact O-N 2.75Å; N1875-L1878 CarbonylContact O-C 3.43Å; N1875-L1878 WeakPolarHBondContact O-CA 3.4Å; N1875-L1878 VanDerWaalsContact O-CB 3.23Å; N1875-L1878 WeakPolarHBondContact O-CB 3.23Å; N1875-L1878 PolarHBondContact O-N 2.69Å; A1876-L1878 VanDerWaalsContact C-N 3.3Å; L1878-K1881 HydrophobicContact CD2-CD 4.16Å; L1878-K1881 CarbonylContact O-C 2.89Å; L1878-K1881 WeakPolarHBondContact O-CA 3.44Å; L1878-K1881 WeakPolarHBondContact O-CB 3.2Å; L1878-K1881 PolarHBondContact O-N 3.12Å; L1878-K1881 VanDerWaalsContact O-N 3.12Å; L1878-E1882 WeakPolarHBondContact O-CG 3.4Å; L1878-E1882 PolarHBondContact O-N 2.78Å |
| 1879 | D | 66.3 | Low | 65.3 | Low | 94 Ų | 94 | 72 Ų | 72 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 171.9 | -55.9 | -21.4 | 0 | 0 | 0 | 111.1 | N1875 K1881 E1882 R1883 | N1875-D1879 PolarHBondContact O-N 3.45Å; D1879-K1881 VanDerWaalsContact C-N 3.29Å; D1879-E1882 CarbonylContact O-C 3.53Å; D1879-E1882 WeakPolarHBondContact O-CA 3.33Å; D1879-E1882 WeakPolarHBondContact O-CB 3.43Å; D1879-E1882 PolarHBondContact O-N 3.33Å; D1879-R1883 PolarHBondContact O-N 3.29Å |
| 1880 | E | 65.8 | Low | 65.4 | Low | 80 Ų | 80 | 69.3 Ų | 69.3 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -71.9 | -24.5 | 171.9 | -165.4 | 75.6 | 165.8 | 0 | 0 | 111.1 | A1876 E1882 R1883 I1884 | A1876-E1880 WeakPolarHBondContact O-CB 3.37Å; A1876-E1880 PolarHBondContact O-N 3.13Å; E1880-E1882 VanDerWaalsContact C-N 3.34Å; E1880-R1883 IonicContact OE2-CZ 3.77Å; E1880-R1883 IonicContact OE2-NH1 3.48Å; E1880-R1883 PolarHBondContact OE2-NH1 2.93Å; E1880-I1884 HydrophobicContact CG-CD1 3.77Å; E1880-I1884 HydrophobicContact CG-CG1 4.36Å; E1880-I1884 WeakPolarHBondContact O-CA 3.19Å; E1880-I1884 WeakPolarHBondContact O-CB 3.46Å; E1880-I1884 WeakPolarHBondContact O-CG1 3.42Å; E1880-I1884 PolarHBondContact O-N 3.49Å |
| 1881 | K | 67.2 | Low | 65.9 | Low | 70 Ų | 70 | 70.3 Ų | 70.3 | 30% | 0.304 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.5 | -25 | 165.4 | 169.9 | -175.8 | 165.7 | -163.7 | 0 | 111.6 | S1877 L1878 D1879 I1884 L1885 K2598 | S1877-K1881 WeakPolarHBondContact O-CB 3.31Å; S1877-K1881 PolarHBondContact O-N 2.72Å; L1878-K1881 HydrophobicContact CD2-CD 4.16Å; L1878-K1881 CarbonylContact O-C 2.89Å; L1878-K1881 WeakPolarHBondContact O-CA 3.44Å; L1878-K1881 WeakPolarHBondContact O-CB 3.2Å; L1878-K1881 PolarHBondContact O-N 3.12Å; L1878-K1881 VanDerWaalsContact O-N 3.12Å; D1879-K1881 VanDerWaalsContact C-N 3.29Å; K1881-I1884 CarbonylContact O-C 3.55Å; K1881-L1885 HydrophobicContact CG-CD1 4.07Å; K1881-L1885 WeakPolarHBondContact O-CA 3.15Å; K1881-L1885 WeakPolarHBondContact O-CB 3.39Å; K1881-L1885 WeakPolarHBondContact O-CD1 3.26Å; K1881-L1885 WeakPolarHBondContact O-CG 3.49Å; K1881-L1885 PolarHBondContact O-N 2.81Å; K1881-K2598 HydrophobicContact CD-CD 4.4Å; K1881-K2598 HydrophobicContact CG-CD 4.12Å |
| 1882 | E | 62.5 | Low | 66.6 | Low | 134 Ų | 134 | 68.1 Ų | 68.1 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -79.8 | -45.3 | 172.1 | -72.4 | -146.8 | 137.4 | 0 | 0 | 111.3 | L1878 D1879 E1880 I1884 L1885 Q1886 | L1878-E1882 WeakPolarHBondContact O-CG 3.4Å; L1878-E1882 PolarHBondContact O-N 2.78Å; D1879-E1882 CarbonylContact O-C 3.53Å; D1879-E1882 WeakPolarHBondContact O-CA 3.33Å; D1879-E1882 WeakPolarHBondContact O-CB 3.43Å; D1879-E1882 PolarHBondContact O-N 3.33Å; E1880-E1882 VanDerWaalsContact C-N 3.34Å; E1882-I1884 VanDerWaalsContact C-N 3.3Å; E1882-I1884 PolarHBondContact O-N 2.76Å; E1882-L1885 CarbonylContact O-C 3.57Å; E1882-L1885 WeakPolarHBondContact O-CA 3.36Å; E1882-L1885 WeakPolarHBondContact O-CB 3.41Å; E1882-L1885 PolarHBondContact O-N 2.79Å; E1882-Q1886 PolarHBondContact O-N 3.48Å |
| 1883 | R | 69.7 | Low | 66.9 | Low | 117 Ų | 117 | 67 Ų | 67 | 44% | 0.442 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 169.8 | -69 | -163.7 | -160.9 | 108.1 | 6.7 | 112.1 | D1879 E1880 L1885 Q1886 S1887 | D1879-R1883 PolarHBondContact O-N 3.29Å; E1880-R1883 IonicContact OE2-CZ 3.77Å; E1880-R1883 IonicContact OE2-NH1 3.48Å; E1880-R1883 PolarHBondContact OE2-NH1 2.93Å; R1883-L1885 VanDerWaalsContact C-N 3.32Å; R1883-Q1886 CarbonylContact O-C 3.55Å; R1883-Q1886 WeakPolarHBondContact O-CB 3.37Å; R1883-Q1886 PolarHBondContact O-N 3.36Å; R1883-S1887 WeakPolarHBondContact O-CB 3.48Å; R1883-S1887 PolarHBondContact O-N 3.28Å |
| 1884 | I | 70.1 | Confident | 67.1 | Low | 40 Ų | 40 | 67.1 Ų | 67.1 | 21% | 0.205 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -91 | 6 | 173.8 | -46.7 | 167.9 | 0 | 0 | 0 | 111.3 | E1880 K1881 E1882 V1888 F2597 | E1880-I1884 HydrophobicContact CG-CD1 3.77Å; E1880-I1884 HydrophobicContact CG-CG1 4.36Å; E1880-I1884 WeakPolarHBondContact O-CA 3.19Å; E1880-I1884 WeakPolarHBondContact O-CB 3.46Å; E1880-I1884 WeakPolarHBondContact O-CG1 3.42Å; E1880-I1884 PolarHBondContact O-N 3.49Å; K1881-I1884 CarbonylContact O-C 3.55Å; E1882-I1884 VanDerWaalsContact C-N 3.3Å; E1882-I1884 PolarHBondContact O-N 2.76Å; I1884-V1888 HydrophobicContact CG2-CG2 3.87Å; I1884-V1888 WeakPolarHBondContact O-CA 3.11Å; I1884-V1888 WeakPolarHBondContact O-CB 3.29Å; I1884-V1888 WeakPolarHBondContact O-CG2 3.33Å; I1884-V1888 PolarHBondContact O-N 2.78Å; I1884-F2597 HydrophobicContact CB-CD1 4.15Å; I1884-F2597 HydrophobicContact CB-CE1 3.43Å; I1884-F2597 VanDerWaalsContact CB-CE1 3.43Å; I1884-F2597 HydrophobicContact CB-CZ 3.67Å; I1884-F2597 HydrophobicContact CD1-CE1 4.31Å; I1884-F2597 HydrophobicContact CD1-CE2 4.08Å; I1884-F2597 HydrophobicContact CD1-CZ 3.6Å; I1884-F2597 HydrophobicContact CG1-CE1 4.46Å; I1884-F2597 HydrophobicContact CG1-CZ 4.23Å; I1884-F2597 HydrophobicContact CG2-CD1 3.48Å; I1884-F2597 VanDerWaalsContact CG2-CD1 3.48Å; I1884-F2597 HydrophobicContact CG2-CD2 4.12Å; I1884-F2597 HydrophobicContact CG2-CE1 3.23Å; I1884-F2597 HydrophobicContact CG2-CE2 3.89Å; I1884-F2597 HydrophobicContact CG2-CG 3.98Å; I1884-F2597 HydrophobicContact CG2-CZ 3.47Å; I1884-F2597 VanDerWaalsContact CG2-CZ 3.47Å |
| 1885 | L | 65.2 | Low | 67.4 | Low | 46 Ų | 46 | 65 Ų | 65 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -93.2 | -18.7 | 154.9 | -90 | 164.4 | 0 | 0 | 0 | 111.1 | K1881 E1882 R1883 V1888 K1889 | K1881-L1885 HydrophobicContact CG-CD1 4.07Å; K1881-L1885 WeakPolarHBondContact O-CA 3.15Å; K1881-L1885 WeakPolarHBondContact O-CB 3.39Å; K1881-L1885 WeakPolarHBondContact O-CD1 3.26Å; K1881-L1885 WeakPolarHBondContact O-CG 3.49Å; K1881-L1885 PolarHBondContact O-N 2.81Å; E1882-L1885 CarbonylContact O-C 3.57Å; E1882-L1885 WeakPolarHBondContact O-CA 3.36Å; E1882-L1885 WeakPolarHBondContact O-CB 3.41Å; E1882-L1885 PolarHBondContact O-N 2.79Å; R1883-L1885 VanDerWaalsContact C-N 3.32Å; L1885-V1888 CarbonylContact O-C 3.41Å; L1885-K1889 VanDerWaalsContact O-CB 3.23Å; L1885-K1889 WeakPolarHBondContact O-CB 3.2Å; L1885-K1889 VanDerWaalsContact O-CD 3.3Å; L1885-K1889 WeakPolarHBondContact O-CD 3.1Å; L1885-K1889 WeakPolarHBondContact O-CG 3.32Å; L1885-K1889 PolarHBondContact O-N 3.11Å |
| 1886 | Q | 63.3 | Low | 67.5 | Low | 92 Ų | 92 | 63.5 Ų | 63.5 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -80.4 | -44.7 | 165.3 | -73 | 178.7 | -40.4 | 0 | 0 | 110.2 | E1882 R1883 K1889 T1890 | E1882-Q1886 PolarHBondContact O-N 3.48Å; R1883-Q1886 CarbonylContact O-C 3.55Å; R1883-Q1886 WeakPolarHBondContact O-CB 3.37Å; R1883-Q1886 PolarHBondContact O-N 3.36Å; Q1886-K1889 CarbonylContact O-C 3.49Å; Q1886-K1889 VanDerWaalsContact O-CA 3.3Å; Q1886-K1889 WeakPolarHBondContact O-CA 3.39Å; Q1886-K1889 VanDerWaalsContact O-CB 3.3Å; Q1886-K1889 WeakPolarHBondContact O-CB 3.01Å; Q1886-K1889 PolarHBondContact O-N 2.91Å; Q1886-T1890 PolarHBondContact O-N 3.37Å; Q1886-T1890 PolarHBondContact O-OG1 3.1Å |
| 1887 | S | 71.5 | Confident | 67.8 | Low | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.028 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.3 | -26.9 | 169.7 | 156.9 | 0 | 0 | 0 | 0 | 112.3 | R1883 K1889 T1890 L1891 | R1883-S1887 WeakPolarHBondContact O-CB 3.48Å; R1883-S1887 PolarHBondContact O-N 3.28Å; S1887-K1889 VanDerWaalsContact C-N 3.28Å; S1887-T1890 WeakPolarHBondContact CA-OG1 3.1Å; S1887-T1890 PolarHBondContact O-OG1 3.39Å; S1887-L1891 WeakPolarHBondContact O-CA 3.32Å; S1887-L1891 WeakPolarHBondContact O-CB 3.33Å; S1887-L1891 WeakPolarHBondContact O-CG 3.49Å; S1887-L1891 PolarHBondContact O-N 2.71Å |
| 1888 | V | 69.8 | Low | 68.2 | Low | 15 Ų | 15 | 59.2 Ų | 59.2 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -92.8 | 19 | 161 | -176.1 | 0 | 0 | 0 | 0 | 111.2 | I1884 L1885 R1892 F2597 | I1884-V1888 HydrophobicContact CG2-CG2 3.87Å; I1884-V1888 WeakPolarHBondContact O-CA 3.11Å; I1884-V1888 WeakPolarHBondContact O-CB 3.29Å; I1884-V1888 WeakPolarHBondContact O-CG2 3.33Å; I1884-V1888 PolarHBondContact O-N 2.78Å; L1885-V1888 CarbonylContact O-C 3.41Å; V1888-R1892 HydrophobicContact CG1-CG 3.92Å; V1888-R1892 WeakPolarHBondContact O-CB 3.04Å; V1888-R1892 VanDerWaalsContact O-CD 3.26Å; V1888-R1892 WeakPolarHBondContact O-CD 3.15Å; V1888-R1892 WeakPolarHBondContact O-CG 2.97Å; V1888-R1892 PolarHBondContact O-NE 2.73Å; V1888-R1892 PolarHBondContact O-NH1 3.29Å; V1888-R1892 VanDerWaalsContact O-NH1 3.13Å; V1888-F2597 HydrophobicContact CG2-CB 4.19Å; V1888-F2597 HydrophobicContact CG2-CD1 4.07Å; V1888-F2597 HydrophobicContact CG2-CG 4.28Å |
| 1889 | K | 65.7 | Low | 68.3 | Low | 129 Ų | 129 | 57.9 Ų | 57.9 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -101.3 | -39.4 | 154.4 | -89 | 162.4 | -175.6 | 179.4 | 0 | 109.5 | L1885 Q1886 S1887 R1892 L1893 | L1885-K1889 VanDerWaalsContact O-CB 3.23Å; L1885-K1889 WeakPolarHBondContact O-CB 3.2Å; L1885-K1889 VanDerWaalsContact O-CD 3.3Å; L1885-K1889 WeakPolarHBondContact O-CD 3.1Å; L1885-K1889 WeakPolarHBondContact O-CG 3.32Å; L1885-K1889 PolarHBondContact O-N 3.11Å; Q1886-K1889 CarbonylContact O-C 3.49Å; Q1886-K1889 VanDerWaalsContact O-CA 3.3Å; Q1886-K1889 WeakPolarHBondContact O-CA 3.39Å; Q1886-K1889 VanDerWaalsContact O-CB 3.3Å; Q1886-K1889 WeakPolarHBondContact O-CB 3.01Å; Q1886-K1889 PolarHBondContact O-N 2.91Å; S1887-K1889 VanDerWaalsContact C-N 3.28Å; K1889-R1892 CarbonylContact O-C 3.29Å; K1889-R1892 PolarHBondContact O-N 2.71Å; K1889-L1893 WeakPolarHBondContact O-CB 3.02Å; K1889-L1893 PolarHBondContact O-N 3.22Å |
| 1890 | T | 67.1 | Low | 68.3 | Low | 39 Ų | 39 | 54.8 Ų | 54.8 | 24% | 0.239 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -79.6 | -33.2 | 174.3 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | Q1886 S1887 R1892 L1893 E1894 | Q1886-T1890 PolarHBondContact O-N 3.37Å; Q1886-T1890 PolarHBondContact O-OG1 3.1Å; S1887-T1890 WeakPolarHBondContact CA-OG1 3.1Å; S1887-T1890 PolarHBondContact O-OG1 3.39Å; T1890-R1892 VanDerWaalsContact C-N 3.32Å; T1890-L1893 CarbonylContact O-C 2.85Å; T1890-L1893 PolarHBondContact O-N 3.08Å; T1890-E1894 WeakPolarHBondContact O-CB 3.36Å; T1890-E1894 PolarHBondContact O-N 3.11Å |
| 1891 | L | 70.5 | Confident | 68.4 | Low | 34 Ų | 34 | 52.4 Ų | 52.4 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -79.9 | -11.9 | 163.8 | -64 | 171.8 | 0 | 0 | 0 | 112.2 | S1887 E1894 R1895 W2561 | S1887-L1891 WeakPolarHBondContact O-CA 3.32Å; S1887-L1891 WeakPolarHBondContact O-CB 3.33Å; S1887-L1891 WeakPolarHBondContact O-CG 3.49Å; S1887-L1891 PolarHBondContact O-N 2.71Å; L1891-E1894 WeakPolarHBondContact CD2-OE2 3.01Å; L1891-R1895 WeakPolarHBondContact O-CA 3.09Å; L1891-R1895 WeakPolarHBondContact O-CB 3.22Å; L1891-R1895 PolarHBondContact O-N 3.37Å; L1891-W2561 HydrophobicContact CD1-CB 4.13Å; L1891-W2561 HydrophobicContact CD1-CG 4.15Å |
| 1892 | R | 72.9 | Confident | 68.3 | Low | 54 Ų | 54 | 50.7 Ų | 50.7 | 20% | 0.204 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -82.1 | -33.6 | 160.5 | -88.9 | -172.5 | -145.8 | 122.9 | -6.8 | 111.4 | V1888 K1889 T1890 R1895 D1896 | V1888-R1892 HydrophobicContact CG1-CG 3.92Å; V1888-R1892 WeakPolarHBondContact O-CB 3.04Å; V1888-R1892 VanDerWaalsContact O-CD 3.26Å; V1888-R1892 WeakPolarHBondContact O-CD 3.15Å; V1888-R1892 WeakPolarHBondContact O-CG 2.97Å; V1888-R1892 PolarHBondContact O-NE 2.73Å; V1888-R1892 PolarHBondContact O-NH1 3.29Å; V1888-R1892 VanDerWaalsContact O-NH1 3.13Å; K1889-R1892 CarbonylContact O-C 3.29Å; K1889-R1892 PolarHBondContact O-N 2.71Å; T1890-R1892 VanDerWaalsContact C-N 3.32Å; R1892-R1895 CarbonylContact O-C 3.11Å; R1892-R1895 PolarHBondContact O-N 3.31Å; R1892-D1896 VanDerWaalsContact O-CA 3.3Å; R1892-D1896 WeakPolarHBondContact O-CA 3.42Å; R1892-D1896 WeakPolarHBondContact O-CB 3.2Å; R1892-D1896 PolarHBondContact O-N 2.72Å |
| 1893 | L | 67.6 | Low | 68.3 | Low | 34 Ų | 34 | 46 Ų | 46 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.4 | -43.1 | 173.2 | -121 | 166 | 0 | 0 | 0 | 109.1 | I443 L466 K1889 T1890 D1896 N1897 | I443-L1893 HydrophobicContact CD1-CD2 4.23Å; I443-L1893 HydrophobicContact CG1-CD2 4.07Å; I443-L1893 HydrophobicContact CG2-CD2 4.3Å; L466-L1893 HydrophobicContact CD1-CD1 3.98Å; K1889-L1893 WeakPolarHBondContact O-CB 3.02Å; K1889-L1893 PolarHBondContact O-N 3.22Å; T1890-L1893 CarbonylContact O-C 2.85Å; T1890-L1893 PolarHBondContact O-N 3.08Å; L1893-D1896 CarbonylContact O-C 3.57Å; L1893-D1896 WeakPolarHBondContact O-CA 3.24Å; L1893-D1896 PolarHBondContact O-N 3.25Å; L1893-N1897 WeakPolarHBondContact CD2-OD1 3.3Å; L1893-N1897 WeakPolarHBondContact O-CA 3.17Å; L1893-N1897 WeakPolarHBondContact O-CB 3.24Å; L1893-N1897 PolarHBondContact O-N 2.96Å; L1893-N1897 PolarHBondContact O-OD1 3.35Å |
| 1894 | E | 68.5 | Low | 68 | Low | 57 Ų | 57 | 41.5 Ų | 41.5 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.7 | -37.1 | 171.7 | -157.3 | -168.4 | -140.8 | 0 | 0 | 110.2 | T1890 L1891 D1896 N1897 I1898 N2559 | T1890-E1894 WeakPolarHBondContact O-CB 3.36Å; T1890-E1894 PolarHBondContact O-N 3.11Å; L1891-E1894 WeakPolarHBondContact CD2-OE2 3.01Å; E1894-D1896 PolarHBondContact O-N 2.85Å; E1894-N1897 PolarHBondContact O-N 3.29Å; E1894-I1898 HydrophobicContact CG-CD1 3.72Å; E1894-I1898 HydrophobicContact CG-CG1 4.2Å; E1894-I1898 WeakPolarHBondContact O-CA 3.04Å; E1894-I1898 WeakPolarHBondContact O-CB 2.99Å; E1894-I1898 WeakPolarHBondContact O-CD1 3.34Å; E1894-I1898 WeakPolarHBondContact O-CG1 3.34Å; E1894-I1898 PolarHBondContact O-N 2.66Å; E1894-N2559 WeakPolarHBondContact OE1-CB 3.47Å; E1894-N2559 PolarHBondContact OE1-ND2 3.21Å; E1894-N2559 WeakPolarHBondContact OE2-CB 2.89Å |
| 1895 | R | 71.2 | Confident | 67.6 | Low | 50 Ų | 50 | 40 Ų | 40 | 19% | 0.189 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -81.8 | 11.8 | 165.4 | -170.1 | -120.5 | 60.1 | -153.7 | -5.3 | 113.2 | E1659 T1662 L1891 R1892 R1899 | E1659-R1895 IonicContact OE1-NH1 3.41Å; E1659-R1895 PolarHBondContact OE1-NH1 3.14Å; T1662-R1895 VanDerWaalsContact CG2-CZ 3.48Å; T1662-R1895 WeakPolarHBondContact OG1-CD 3.2Å; T1662-R1895 PolarHBondContact OG1-NE 2.99Å; L1891-R1895 WeakPolarHBondContact O-CA 3.09Å; L1891-R1895 WeakPolarHBondContact O-CB 3.22Å; L1891-R1895 PolarHBondContact O-N 3.37Å; R1892-R1895 CarbonylContact O-C 3.11Å; R1892-R1895 PolarHBondContact O-N 3.31Å; R1895-R1899 WeakPolarHBondContact O-CB 3.33Å |
| 1896 | D | 67.2 | Low | 67.4 | Low | 51 Ų | 51 | 37.9 Ų | 37.9 | 27% | 0.273 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -113.4 | -22.5 | 168.5 | -78 | -32.2 | 0 | 0 | 0 | 108.2 | R1892 L1893 E1894 R1899 T1900 | R1892-D1896 VanDerWaalsContact O-CA 3.3Å; R1892-D1896 WeakPolarHBondContact O-CA 3.42Å; R1892-D1896 WeakPolarHBondContact O-CB 3.2Å; R1892-D1896 PolarHBondContact O-N 2.72Å; L1893-D1896 CarbonylContact O-C 3.57Å; L1893-D1896 WeakPolarHBondContact O-CA 3.24Å; L1893-D1896 PolarHBondContact O-N 3.25Å; E1894-D1896 PolarHBondContact O-N 2.85Å; D1896-R1899 IonicContact OD1-NH1 2.6Å; D1896-T1900 VanDerWaalsContact O-CB 3.26Å; D1896-T1900 WeakPolarHBondContact O-CB 3.35Å; D1896-T1900 WeakPolarHBondContact O-CG2 3.46Å; D1896-T1900 PolarHBondContact O-N 3.44Å; D1896-T1900 PolarHBondContact O-OG1 3.47Å |
| 1897 | N | 71.3 | Confident | 67.5 | Low | 15 Ų | 15 | 35.8 Ų | 35.8 | 8% | 0.08 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -87.8 | -53.7 | 173.6 | -67.3 | 9.9 | 0 | 0 | 0 | 108.9 | S441 N442 L1893 E1894 R1899 T1900 E1901 | S441-N1897 PolarHBondContact O-ND2 3.22Å; N442-N1897 VanDerWaalsContact CA-OD1 3.3Å; N442-N1897 WeakPolarHBondContact CA-OD1 3.42Å; N442-N1897 PolarHBondContact OD1-ND2 3.48Å; L1893-N1897 WeakPolarHBondContact CD2-OD1 3.3Å; L1893-N1897 WeakPolarHBondContact O-CA 3.17Å; L1893-N1897 WeakPolarHBondContact O-CB 3.24Å; L1893-N1897 PolarHBondContact O-N 2.96Å; L1893-N1897 PolarHBondContact O-OD1 3.35Å; E1894-N1897 PolarHBondContact O-N 3.29Å; N1897-R1899 PolarHBondContact O-N 3.2Å; N1897-T1900 VanDerWaalsContact CA-OG1 3.31Å; N1897-T1900 WeakPolarHBondContact CA-OG1 3.44Å; N1897-T1900 CarbonylContact O-C 3.54Å; N1897-T1900 VanDerWaalsContact O-C 3.25Å; N1897-T1900 WeakPolarHBondContact O-CA 3.23Å; N1897-T1900 PolarHBondContact O-N 2.68Å; N1897-T1900 PolarHBondContact O-OG1 3.11Å; N1897-T1900 VanDerWaalsContact O-OG1 3.12Å; N1897-E1901 WeakPolarHBondContact O-CA 3.21Å; N1897-E1901 WeakPolarHBondContact O-CB 3.22Å; N1897-E1901 VanDerWaalsContact O-CG 3.3Å; N1897-E1901 WeakPolarHBondContact O-CG 3.26Å; N1897-E1901 PolarHBondContact O-N 2.66Å |
| 1898 | I | 70.5 | Confident | 67 | Low | 12 Ų | 12 | 35.9 Ų | 35.9 | 6% | 0.062 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.4 | -37.3 | 163.4 | -61.5 | 167.6 | 0 | 0 | 0 | 110.2 | E1894 T1900 E1901 L1902 V2556 K2557 | E1894-I1898 HydrophobicContact CG-CD1 3.72Å; E1894-I1898 HydrophobicContact CG-CG1 4.2Å; E1894-I1898 WeakPolarHBondContact O-CA 3.04Å; E1894-I1898 WeakPolarHBondContact O-CB 2.99Å; E1894-I1898 WeakPolarHBondContact O-CD1 3.34Å; E1894-I1898 WeakPolarHBondContact O-CG1 3.34Å; E1894-I1898 PolarHBondContact O-N 2.66Å; I1898-T1900 VanDerWaalsContact C-N 3.34Å; I1898-E1901 PolarHBondContact O-N 2.69Å; I1898-L1902 VanDerWaalsContact O-CA 3.32Å; I1898-L1902 WeakPolarHBondContact O-CA 3.2Å; I1898-L1902 WeakPolarHBondContact O-CB 3.3Å; I1898-L1902 PolarHBondContact O-N 3.32Å; I1898-V2556 WeakPolarHBondContact CD1-O 3.49Å; I1898-V2556 WeakPolarHBondContact CG1-O 3.42Å; I1898-V2556 WeakPolarHBondContact CG2-O 3.11Å; I1898-K2557 WeakPolarHBondContact CD1-O 3.01Å |
| 1899 | R | 69.9 | Low | 66.5 | Low | 48 Ų | 48 | 35.3 Ų | 35.3 | 18% | 0.181 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 168 | 176.1 | -152.7 | -165.6 | 168.2 | 3.7 | 110.1 | S1661 T1662 T1665 R1895 D1896 N1897 L1902 E1903 | S1661-R1899 PolarHBondContact O-NH2 2.74Å; S1661-R1899 PolarHBondContact OG-NH2 2.68Å; T1662-R1899 HydrophobicContact CG2-CG 4.35Å; T1662-R1899 VanDerWaalsContact CG2-CZ 3.45Å; T1665-R1899 HydrophobicContact CG2-CG 4.32Å; T1665-R1899 VanDerWaalsContact O-O 3.13Å; T1665-R1899 WeakPolarHBondContact OG1-CG 3.38Å; T1665-R1899 PolarHBondContact OG1-NE 2.81Å; R1895-R1899 WeakPolarHBondContact O-CB 3.33Å; D1896-R1899 IonicContact OD1-NH1 2.6Å; N1897-R1899 PolarHBondContact O-N 3.2Å; R1899-L1902 CarbonylContact O-C 3.38Å; R1899-E1903 HydrophobicContact CG-CG 4.21Å; R1899-E1903 IonicContact NE-OE1 2.7Å; R1899-E1903 VanDerWaalsContact O-CA 3.24Å; R1899-E1903 WeakPolarHBondContact O-CA 3.23Å; R1899-E1903 VanDerWaalsContact O-CB 3.26Å; R1899-E1903 WeakPolarHBondContact O-CB 3.42Å; R1899-E1903 WeakPolarHBondContact O-CG 3.28Å; R1899-E1903 PolarHBondContact O-N 2.88Å |
| 1900 | T | 66.8 | Low | 66.1 | Low | 29 Ų | 29 | 30.6 Ų | 30.6 | 18% | 0.178 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -79.7 | -12.9 | 178.3 | 53.4 | 0 | 0 | 0 | 0 | 115.6 | D1896 N1897 I1898 E1903 Q1904 | D1896-T1900 VanDerWaalsContact O-CB 3.26Å; D1896-T1900 WeakPolarHBondContact O-CB 3.35Å; D1896-T1900 WeakPolarHBondContact O-CG2 3.46Å; D1896-T1900 PolarHBondContact O-N 3.44Å; D1896-T1900 PolarHBondContact O-OG1 3.47Å; N1897-T1900 VanDerWaalsContact CA-OG1 3.31Å; N1897-T1900 WeakPolarHBondContact CA-OG1 3.44Å; N1897-T1900 CarbonylContact O-C 3.54Å; N1897-T1900 VanDerWaalsContact O-C 3.25Å; N1897-T1900 WeakPolarHBondContact O-CA 3.23Å; N1897-T1900 PolarHBondContact O-N 2.68Å; N1897-T1900 PolarHBondContact O-OG1 3.11Å; N1897-T1900 VanDerWaalsContact O-OG1 3.12Å; I1898-T1900 VanDerWaalsContact C-N 3.34Å; T1900-E1903 VanDerWaalsContact CA-CB 3.42Å; T1900-E1903 HydrophobicContact CG2-CB 4.43Å; T1900-E1903 HydrophobicContact CG2-CG 4.25Å; T1900-E1903 CarbonylContact O-C 2.66Å; T1900-E1903 VanDerWaalsContact O-C 3.23Å; T1900-E1903 WeakPolarHBondContact O-CA 3.33Å; T1900-E1903 PolarHBondContact O-N 2.67Å; T1900-Q1904 PolarHBondContact O-N 2.62Å |
| 1901 | E | 67.2 | Low | 65.8 | Low | 31 Ų | 31 | 29.4 Ų | 29.4 | 15% | 0.145 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -85.1 | -53 | 172.6 | -79 | -173.1 | 166.9 | 0 | 0 | 108.2 | S441 N1897 I1898 E1903 Q1904 E1905 K2554 V2556 | S441-E1901 VanDerWaalsContact CB-OE1 3.3Å; S441-E1901 WeakPolarHBondContact CB-OE1 3.11Å; S441-E1901 WeakPolarHBondContact OG-CG 3.43Å; S441-E1901 PolarHBondContact OG-OE1 2.62Å; N1897-E1901 WeakPolarHBondContact O-CA 3.21Å; N1897-E1901 WeakPolarHBondContact O-CB 3.22Å; N1897-E1901 VanDerWaalsContact O-CG 3.3Å; N1897-E1901 WeakPolarHBondContact O-CG 3.26Å; N1897-E1901 PolarHBondContact O-N 2.66Å; I1898-E1901 PolarHBondContact O-N 2.69Å; E1901-E1903 PolarHBondContact O-N 3.25Å; E1901-Q1904 CarbonylContact O-C 2.99Å; E1901-Q1904 WeakPolarHBondContact O-CA 3.41Å; E1901-Q1904 VanDerWaalsContact O-CB 3.31Å; E1901-Q1904 WeakPolarHBondContact O-CB 3.26Å; E1901-Q1904 PolarHBondContact O-N 2.93Å; E1901-E1905 PolarHBondContact O-N 2.62Å; E1901-K2554 CarbonylContact C-O 3.59Å; E1901-K2554 HydrophobicContact CB-CB 4.26Å; E1901-K2554 HydrophobicContact CB-CD 4Å; E1901-K2554 HydrophobicContact CB-CG 4.42Å; E1901-K2554 HydrophobicContact CG-CD 4.15Å; E1901-K2554 WeakPolarHBondContact O-CB 3.2Å; E1901-V2556 WeakPolarHBondContact OE2-CB 3.41Å |
| 1902 | L | 66.3 | Low | 65 | Low | 34 Ų | 34 | 29 Ų | 29 | 18% | 0.178 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 9.6 | 160.7 | -151.8 | 64.9 | 0 | 0 | 0 | 108.8 | T1665 N1666 I1898 R1899 E1905 Q1906 K2554 | T1665-L1902 CarbonylContact C-O 3.57Å; T1665-L1902 VanDerWaalsContact C-O 3.3Å; T1665-L1902 CarbonylContact O-C 3.51Å; N1666-L1902 VanDerWaalsContact CA-O 3.23Å; N1666-L1902 WeakPolarHBondContact CA-O 3.32Å; N1666-L1902 HydrophobicContact CB-CB 4.42Å; N1666-L1902 HydrophobicContact CB-CD2 3.65Å; N1666-L1902 HydrophobicContact CB-CG 3.58Å; N1666-L1902 WeakPolarHBondContact OD1-CB 3.29Å; N1666-L1902 WeakPolarHBondContact OD1-CD2 3.42Å; N1666-L1902 WeakPolarHBondContact OD1-CG 3.06Å; I1898-L1902 VanDerWaalsContact O-CA 3.32Å; I1898-L1902 WeakPolarHBondContact O-CA 3.2Å; I1898-L1902 WeakPolarHBondContact O-CB 3.3Å; I1898-L1902 PolarHBondContact O-N 3.32Å; R1899-L1902 CarbonylContact O-C 3.38Å; L1902-E1905 HydrophobicContact CD1-CB 3.74Å; L1902-E1905 HydrophobicContact CG-CB 4.32Å; L1902-E1905 CarbonylContact O-C 3.55Å; L1902-E1905 VanDerWaalsContact O-CA 3.27Å; L1902-E1905 WeakPolarHBondContact O-CA 2.86Å; L1902-E1905 PolarHBondContact O-N 2.72Å; L1902-Q1906 VanDerWaalsContact C-N 3.27Å; L1902-Q1906 PolarHBondContact O-N 2.99Å; L1902-K2554 WeakPolarHBondContact CA-O 2.98Å; L1902-K2554 WeakPolarHBondContact CD1-O 3Å |
| 1903 | E | 63.3 | Low | 64.4 | Low | 35 Ų | 35 | 27.7 Ų | 27.7 | 16% | 0.164 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -1.2 | 157.3 | -68.6 | -174.9 | -152.6 | 0 | 0 | 110.2 | T1665 R1899 T1900 E1901 E1905 Q1906 K1907 | T1665-E1903 HydrophobicContact CG2-CG 3.46Å; T1665-E1903 VanDerWaalsContact CG2-CG 3.46Å; T1665-E1903 WeakPolarHBondContact CG2-OE1 3.26Å; R1899-E1903 HydrophobicContact CG-CG 4.21Å; R1899-E1903 IonicContact NE-OE1 2.7Å; R1899-E1903 VanDerWaalsContact O-CA 3.24Å; R1899-E1903 WeakPolarHBondContact O-CA 3.23Å; R1899-E1903 VanDerWaalsContact O-CB 3.26Å; R1899-E1903 WeakPolarHBondContact O-CB 3.42Å; R1899-E1903 WeakPolarHBondContact O-CG 3.28Å; R1899-E1903 PolarHBondContact O-N 2.88Å; T1900-E1903 VanDerWaalsContact CA-CB 3.42Å; T1900-E1903 HydrophobicContact CG2-CB 4.43Å; T1900-E1903 HydrophobicContact CG2-CG 4.25Å; T1900-E1903 CarbonylContact O-C 2.66Å; T1900-E1903 VanDerWaalsContact O-C 3.23Å; T1900-E1903 WeakPolarHBondContact O-CA 3.33Å; T1900-E1903 PolarHBondContact O-N 2.67Å; E1901-E1903 PolarHBondContact O-N 3.25Å; E1903-E1905 VanDerWaalsContact C-N 3.34Å; E1903-Q1906 VanDerWaalsContact C-C 3.42Å; E1903-Q1906 CarbonylContact C-O 3.1Å; E1903-Q1906 HydrophobicContact CB-CB 4.04Å; E1903-Q1906 HydrophobicContact CG-CB 4.16Å; E1903-Q1906 CarbonylContact O-C 3.35Å; E1903-K1907 VanDerWaalsContact CB-NZ 3.26Å; E1903-K1907 WeakPolarHBondContact O-CB 3.25Å; E1903-K1907 VanDerWaalsContact O-CD 3.24Å; E1903-K1907 WeakPolarHBondContact O-CD 3.11Å; E1903-K1907 PolarHBondContact O-N 2.87Å; E1903-K1907 PolarHBondContact O-NZ 3.04Å; E1903-K1907 IonicContact OE2-NZ 2.72Å; E1903-K1907 PolarHBondContact OE2-NZ 2.89Å |
| 1904 | Q | 62.8 | Low | 64 | Low | 23 Ų | 23 | 27.8 Ų | 27.8 | 11% | 0.107 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -105.4 | 11.9 | 146 | -65.3 | 174.3 | -58.1 | 0 | 0 | 108.5 | D1669 T1900 E1901 K1907 E2552 K2554 | D1669-Q1904 VanDerWaalsContact CG-CA 3.47Å; D1669-Q1904 WeakPolarHBondContact OD1-CA 3.01Å; D1669-Q1904 WeakPolarHBondContact OD2-CA 2.86Å; T1900-Q1904 PolarHBondContact O-N 2.62Å; E1901-Q1904 CarbonylContact O-C 2.99Å; E1901-Q1904 WeakPolarHBondContact O-CA 3.41Å; E1901-Q1904 VanDerWaalsContact O-CB 3.31Å; E1901-Q1904 WeakPolarHBondContact O-CB 3.26Å; E1901-Q1904 PolarHBondContact O-N 2.93Å; Q1904-K1907 HydrophobicContact CG-CD 4.43Å; Q1904-E2552 HydrophobicContact CB-CB 4.46Å; Q1904-E2552 PolarHBondContact NE2-OE1 2.78Å; Q1904-E2552 PolarHBondContact NE2-OE2 3.3Å; Q1904-K2554 HydrophobicContact CB-CB 4.35Å; Q1904-K2554 HydrophobicContact CB-CD 3.67Å |
| 1905 | E | 62 | Low | 63.6 | Low | 9 Ų | 9 | 25.9 Ų | 25.9 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -117.2 | 26.2 | 134.1 | -68.3 | -163.7 | 176.2 | 0 | 0 | 112.4 | N1666 I1667 D1669 S1670 Q1672 Q1673 E1901 L1902 E1903 K2554 P2555 | N1666-E1905 CarbonylContact C-O 3.49Å; N1666-E1905 VanDerWaalsContact CA-O 3.32Å; N1666-E1905 WeakPolarHBondContact CA-O 3.25Å; I1667-E1905 PolarHBondContact N-O 3.01Å; D1669-E1905 CarbonylContact C-O 3.45Å; D1669-E1905 VanDerWaalsContact CA-O 3.32Å; D1669-E1905 WeakPolarHBondContact CA-O 3.3Å; D1669-E1905 HydrophobicContact CB-CB 4.19Å; D1669-E1905 HydrophobicContact CB-CG 4.1Å; D1669-E1905 PolarHBondContact N-O 3.13Å; D1669-E1905 WeakPolarHBondContact O-CG 3.49Å; D1669-E1905 WeakPolarHBondContact OD2-CA 2.97Å; D1669-E1905 PolarHBondContact OD2-N 2.85Å; S1670-E1905 WeakPolarHBondContact CA-OE2 3.06Å; S1670-E1905 PolarHBondContact N-O 2.88Å; S1670-E1905 VanDerWaalsContact N-O 3.14Å; Q1672-E1905 HydrophobicContact CB-CG 4.46Å; Q1673-E1905 PolarHBondContact NE2-OE1 2.95Å; Q1673-E1905 PolarHBondContact NE2-OE2 2.7Å; E1901-E1905 PolarHBondContact O-N 2.62Å; L1902-E1905 HydrophobicContact CD1-CB 3.74Å; L1902-E1905 HydrophobicContact CG-CB 4.32Å; L1902-E1905 CarbonylContact O-C 3.55Å; L1902-E1905 VanDerWaalsContact O-CA 3.27Å; L1902-E1905 WeakPolarHBondContact O-CA 2.86Å; L1902-E1905 PolarHBondContact O-N 2.72Å; E1903-E1905 VanDerWaalsContact C-N 3.34Å; E1905-K2554 VanDerWaalsContact CB-O 3.28Å; E1905-K2554 WeakPolarHBondContact CB-O 3.41Å; E1905-K2554 HydrophobicContact CG-CB 4.33Å; E1905-K2554 VanDerWaalsContact CG-O 3.27Å; E1905-K2554 WeakPolarHBondContact CG-O 3.37Å; E1905-K2554 PolarHBondContact OE1-N 3.4Å; E1905-P2555 WeakPolarHBondContact OE1-CD 3.35Å; E1905-P2555 VanDerWaalsContact OE2-CD 3.31Å; E1905-P2555 WeakPolarHBondContact OE2-CD 3.26Å |
| 1906 | Q | 61.1 | Low | 63.2 | Low | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | B | Isolated β-bridge | trans | -142.9 | 76.7 | 148.7 | -112.7 | -168 | -117 | 0 | 0 | 124.7 | D1664 T1665 N1666 Q1668 D1669 L1902 E1903 | D1664-Q1906 VanDerWaalsContact O-CD 3.23Å; D1664-Q1906 PolarHBondContact O-NE2 2.88Å; D1664-Q1906 PolarHBondContact O-OE1 2.78Å; T1665-Q1906 WeakPolarHBondContact O-CB 3.15Å; N1666-Q1906 VanDerWaalsContact N-OE1 3.11Å; Q1668-Q1906 VanDerWaalsContact C-CA 3.46Å; Q1668-Q1906 HydrophobicContact CB-CG 3.26Å; Q1668-Q1906 HydrophobicContact CG-CG 3.65Å; Q1668-Q1906 VanDerWaalsContact N-CD 3.25Å; Q1668-Q1906 VanDerWaalsContact NE2-C 3.28Å; Q1668-Q1906 PolarHBondContact NE2-O 3.39Å; D1669-Q1906 VanDerWaalsContact N-CA 3.3Å; D1669-Q1906 WeakPolarHBondContact OD2-CA 3.38Å; D1669-Q1906 PolarHBondContact OD2-N 3.09Å; L1902-Q1906 VanDerWaalsContact C-N 3.27Å; L1902-Q1906 PolarHBondContact O-N 2.99Å; E1903-Q1906 VanDerWaalsContact C-C 3.42Å; E1903-Q1906 CarbonylContact C-O 3.1Å; E1903-Q1906 HydrophobicContact CB-CB 4.04Å; E1903-Q1906 HydrophobicContact CG-CB 4.16Å; E1903-Q1906 CarbonylContact O-C 3.35Å |
| 1907 | K | 65.2 | Low | 62.8 | Low | 49 Ų | 49 | 24.1 Ų | 24.1 | 21% | 0.213 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -168.5 | -79.9 | 176.8 | -97.8 | 150.7 | -142.2 | 61.5 | 0 | 105.7 | E825 N826 Q1668 D1669 E1903 Q1904 V1909 A1910 E1911 | E825-K1907 WeakPolarHBondContact O-CG 3.38Å; N826-K1907 CarbonylContact O-C 3.35Å; N826-K1907 WeakPolarHBondContact O-CA 3.4Å; N826-K1907 VanDerWaalsContact O-CB 3.23Å; N826-K1907 WeakPolarHBondContact O-CB 3.24Å; N826-K1907 VanDerWaalsContact O-CG 3.24Å; N826-K1907 WeakPolarHBondContact O-CG 2.89Å; Q1668-K1907 CarbonylContact O-C 3.42Å; Q1668-K1907 PolarHBondContact O-N 3.31Å; D1669-K1907 VanDerWaalsContact CG-N 3.33Å; D1669-K1907 WeakPolarHBondContact OD2-CA 3.36Å; D1669-K1907 PolarHBondContact OD2-N 2.78Å; E1903-K1907 VanDerWaalsContact CB-NZ 3.26Å; E1903-K1907 WeakPolarHBondContact O-CB 3.25Å; E1903-K1907 VanDerWaalsContact O-CD 3.24Å; E1903-K1907 WeakPolarHBondContact O-CD 3.11Å; E1903-K1907 PolarHBondContact O-N 2.87Å; E1903-K1907 PolarHBondContact O-NZ 3.04Å; E1903-K1907 IonicContact OE2-NZ 2.72Å; E1903-K1907 PolarHBondContact OE2-NZ 2.89Å; Q1904-K1907 HydrophobicContact CG-CD 4.43Å; K1907-V1909 VanDerWaalsContact C-N 3.3Å; K1907-V1909 PolarHBondContact O-N 2.72Å; K1907-A1910 CarbonylContact O-C 3.57Å; K1907-A1910 VanDerWaalsContact O-CA 3.22Å; K1907-A1910 WeakPolarHBondContact O-CA 3.34Å; K1907-E1911 WeakPolarHBondContact CB-OE1 3.47Å; K1907-E1911 WeakPolarHBondContact O-CG 3.15Å; K1907-E1911 PolarHBondContact O-N 2.94Å |
| 1908 | S | 59.7 | Low | 62 | Low | 6 Ų | 6 | 25.7 Ų | 25.7 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -55.6 | 5.8 | -175.3 | -33.2 | 0 | 0 | 0 | 0 | 120.1 | D1669 E1911 L1912 | D1669-S1908 VanDerWaalsContact CB-C 3.45Å; D1669-S1908 VanDerWaalsContact CB-CA 3.46Å; D1669-S1908 VanDerWaalsContact CB-N 3.34Å; D1669-S1908 VanDerWaalsContact CG-CA 3.47Å; D1669-S1908 VanDerWaalsContact CG-CB 3.48Å; D1669-S1908 VanDerWaalsContact OD1-CA 3.22Å; D1669-S1908 WeakPolarHBondContact OD1-CA 3.39Å; D1669-S1908 WeakPolarHBondContact OD1-CB 3.05Å; D1669-S1908 PolarHBondContact OD1-N 3.49Å; D1669-S1908 PolarHBondContact OD1-OG 3.28Å; D1669-S1908 PolarHBondContact OD2-N 2.76Å; S1908-E1911 VanDerWaalsContact C-N 3.34Å; S1908-E1911 PolarHBondContact N-OE1 2.87Å; S1908-L1912 VanDerWaalsContact C-N 3.27Å; S1908-L1912 VanDerWaalsContact O-CA 3.24Å; S1908-L1912 WeakPolarHBondContact O-CA 3.01Å; S1908-L1912 WeakPolarHBondContact O-CB 3.16Å; S1908-L1912 WeakPolarHBondContact O-CG 3.48Å; S1908-L1912 PolarHBondContact O-N 2.69Å |
| 1909 | V | 59.6 | Low | 61 | Low | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -143.4 | 65.7 | 177.7 | -166.3 | 0 | 0 | 0 | 0 | 113.9 | Q1668 D1669 S1670 D1671 Q1672 K1907 E1911 L1912 T1913 | Q1668-V1909 VanDerWaalsContact C-C 3.46Å; Q1668-V1909 VanDerWaalsContact C-N 3.34Å; Q1668-V1909 CarbonylContact C-O 3.53Å; Q1668-V1909 WeakPolarHBondContact CA-O 3.32Å; Q1668-V1909 CarbonylContact O-C 3.32Å; Q1668-V1909 WeakPolarHBondContact O-CA 2.87Å; Q1668-V1909 PolarHBondContact O-N 3.28Å; D1669-V1909 VanDerWaalsContact C-CG2 3.41Å; D1669-V1909 HydrophobicContact CB-CB 4.21Å; D1669-V1909 HydrophobicContact CB-CG2 3.79Å; D1669-V1909 VanDerWaalsContact O-CG2 3.25Å; D1669-V1909 WeakPolarHBondContact O-CG2 3.32Å; S1670-V1909 WeakPolarHBondContact O-CG1 3.46Å; D1671-V1909 WeakPolarHBondContact O-CG2 3.41Å; Q1672-V1909 HydrophobicContact CB-CG2 4.32Å; K1907-V1909 VanDerWaalsContact C-N 3.3Å; K1907-V1909 PolarHBondContact O-N 2.72Å; V1909-E1911 VanDerWaalsContact N-N 3.15Å; V1909-L1912 HydrophobicContact CG2-CB 4.26Å; V1909-T1913 HydrophobicContact CB-CG2 4.45Å; V1909-T1913 HydrophobicContact CG1-CG2 3.3Å; V1909-T1913 WeakPolarHBondContact O-CB 3.08Å; V1909-T1913 WeakPolarHBondContact O-CG2 3.37Å; V1909-T1913 PolarHBondContact O-OG1 2.61Å |
| 1910 | A | 58.8 | Low | 60.3 | Low | 29 Ų | 29 | 27.3 Ų | 27.3 | 24% | 0.24 | 15% | 0.146 | C | C | . | . | S | Bend | 122.3 | -35.4 | -100.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1668 K1907 T1913 A1914 | Q1668-A1910 HydrophobicContact CB-CB 3.91Å; Q1668-A1910 HydrophobicContact CG-CB 3.41Å; Q1668-A1910 VanDerWaalsContact CG-CB 3.41Å; K1907-A1910 CarbonylContact O-C 3.57Å; K1907-A1910 VanDerWaalsContact O-CA 3.22Å; K1907-A1910 WeakPolarHBondContact O-CA 3.34Å; A1910-T1913 WeakPolarHBondContact CB-OG1 3.24Å; A1910-T1913 VanDerWaalsContact N-C 3.28Å; A1910-T1913 PolarHBondContact N-OG1 2.67Å; A1910-A1914 VanDerWaalsContact C-N 3.31Å; A1910-A1914 HydrophobicContact CB-CB 4.13Å; A1910-A1914 WeakPolarHBondContact O-CB 3.35Å | |
| 1911 | E | 60.1 | Low | 59.6 | Low | 14 Ų | 14 | 32.7 Ų | 32.7 | 7% | 0.065 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -118.3 | -27 | 149 | -48 | 159.8 | -158.4 | 0 | 0 | 111.1 | N826 I827 Y828 N829 K1907 S1908 V1909 A1914 L1915 | N826-E1911 VanDerWaalsContact O-CG 3.27Å; N826-E1911 WeakPolarHBondContact O-CG 3.45Å; N826-E1911 VanDerWaalsContact O-OE1 3.08Å; I827-E1911 VanDerWaalsContact C-OE2 3.31Å; I827-E1911 WeakPolarHBondContact CA-OE1 3.44Å; I827-E1911 VanDerWaalsContact N-CD 3.31Å; I827-E1911 PolarHBondContact N-OE1 2.7Å; Y828-E1911 VanDerWaalsContact CA-OE2 3.25Å; Y828-E1911 WeakPolarHBondContact CA-OE2 3.08Å; Y828-E1911 PolarHBondContact N-OE1 3.23Å; Y828-E1911 PolarHBondContact N-OE2 2.75Å; N829-E1911 PolarHBondContact N-OE2 2.67Å; K1907-E1911 WeakPolarHBondContact CB-OE1 3.47Å; K1907-E1911 WeakPolarHBondContact O-CG 3.15Å; K1907-E1911 PolarHBondContact O-N 2.94Å; S1908-E1911 VanDerWaalsContact C-N 3.34Å; S1908-E1911 PolarHBondContact N-OE1 2.87Å; V1909-E1911 VanDerWaalsContact N-N 3.15Å; E1911-A1914 CarbonylContact O-C 3.54Å; E1911-L1915 VanDerWaalsContact C-N 3.29Å; E1911-L1915 WeakPolarHBondContact O-CA 3.45Å; E1911-L1915 VanDerWaalsContact O-CB 3.22Å; E1911-L1915 WeakPolarHBondContact O-CB 3.2Å; E1911-L1915 PolarHBondContact O-N 2.87Å |
| 1912 | L | 54 | Low | 58.6 | Low | 26 Ų | 26 | 31.3 Ų | 31.3 | 14% | 0.136 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -113.7 | -7.9 | 176.9 | -46.3 | 175.3 | 0 | 0 | 0 | 113.9 | Q1672 S1908 V1909 L1915 V1916 | Q1672-L1912 WeakPolarHBondContact O-CD1 3.2Å; S1908-L1912 VanDerWaalsContact C-N 3.27Å; S1908-L1912 VanDerWaalsContact O-CA 3.24Å; S1908-L1912 WeakPolarHBondContact O-CA 3.01Å; S1908-L1912 WeakPolarHBondContact O-CB 3.16Å; S1908-L1912 WeakPolarHBondContact O-CG 3.48Å; S1908-L1912 PolarHBondContact O-N 2.69Å; V1909-L1912 HydrophobicContact CG2-CB 4.26Å; L1912-L1915 HydrophobicContact CB-CB 4.29Å; L1912-L1915 HydrophobicContact CD2-CB 3.74Å; L1912-L1915 HydrophobicContact CD2-CD2 3.97Å; L1912-L1915 HydrophobicContact CD2-CG 4.28Å; L1912-L1915 CarbonylContact O-C 3.47Å; L1912-V1916 WeakPolarHBondContact O-CB 3.07Å; L1912-V1916 VanDerWaalsContact O-CG2 3.28Å; L1912-V1916 WeakPolarHBondContact O-CG2 3.07Å; L1912-V1916 PolarHBondContact O-N 2.85Å |
| 1913 | T | 58.8 | Low | 58 | Low | 26 Ų | 26 | 34.5 Ų | 34.5 | 16% | 0.16 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -88.1 | -26.6 | 132.5 | 89.3 | 0 | 0 | 0 | 0 | 112.1 | V1909 A1910 L1915 V1916 T1917 R1918 | V1909-T1913 HydrophobicContact CB-CG2 4.45Å; V1909-T1913 HydrophobicContact CG1-CG2 3.3Å; V1909-T1913 WeakPolarHBondContact O-CB 3.08Å; V1909-T1913 WeakPolarHBondContact O-CG2 3.37Å; V1909-T1913 PolarHBondContact O-OG1 2.61Å; A1910-T1913 WeakPolarHBondContact CB-OG1 3.24Å; A1910-T1913 VanDerWaalsContact N-C 3.28Å; A1910-T1913 PolarHBondContact N-OG1 2.67Å; T1913-L1915 PolarHBondContact O-N 2.92Å; T1913-V1916 VanDerWaalsContact C-N 3.3Å; T1913-V1916 VanDerWaalsContact CA-N 3.31Å; T1913-V1916 HydrophobicContact CG2-CB 4.05Å; T1913-V1916 HydrophobicContact CG2-CG1 4.21Å; T1913-V1916 CarbonylContact O-C 3.59Å; T1913-V1916 WeakPolarHBondContact O-CA 3.43Å; T1913-V1916 PolarHBondContact O-N 2.92Å; T1913-T1917 WeakPolarHBondContact CB-OG1 3.46Å; T1913-T1917 HydrophobicContact CG2-CG2 4.1Å; T1913-T1917 CarbonylContact O-C 3.58Å; T1913-T1917 WeakPolarHBondContact O-CA 3.27Å; T1913-T1917 PolarHBondContact O-N 3.02Å; T1913-T1917 PolarHBondContact O-OG1 2.71Å; T1913-T1917 PolarHBondContact OG1-OG1 2.72Å; T1913-R1918 PolarHBondContact O-N 3.4Å |
| 1914 | A | 60.6 | Low | 57.4 | Low | 36 Ų | 36 | 34.8 Ų | 34.8 | 30% | 0.298 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 19.8 | 153.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1910 E1911 R1918 | A1910-A1914 VanDerWaalsContact C-N 3.31Å; A1910-A1914 HydrophobicContact CB-CB 4.13Å; A1910-A1914 WeakPolarHBondContact O-CB 3.35Å; E1911-A1914 CarbonylContact O-C 3.54Å; A1914-R1918 HydrophobicContact CB-CB 4.47Å; A1914-R1918 WeakPolarHBondContact O-CB 3.17Å; A1914-R1918 WeakPolarHBondContact O-CD 3.45Å; A1914-R1918 WeakPolarHBondContact O-CG 3.13Å |
| 1915 | L | 60.3 | Low | 56.7 | Low | 17 Ų | 17 | 37.8 Ų | 37.8 | 9% | 0.089 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 0.6 | 153.4 | -120.1 | 80.1 | 0 | 0 | 0 | 111.7 | L853 S1675 K1678 E1911 L1912 T1913 Q1919 | L853-L1915 HydrophobicContact CD2-CD2 3.86Å; S1675-L1915 VanDerWaalsContact OG-CD2 3.3Å; S1675-L1915 WeakPolarHBondContact OG-CD2 3.42Å; K1678-L1915 PolarHBondContact NZ-O 3.19Å; E1911-L1915 VanDerWaalsContact C-N 3.29Å; E1911-L1915 WeakPolarHBondContact O-CA 3.45Å; E1911-L1915 VanDerWaalsContact O-CB 3.22Å; E1911-L1915 WeakPolarHBondContact O-CB 3.2Å; E1911-L1915 PolarHBondContact O-N 2.87Å; L1912-L1915 HydrophobicContact CB-CB 4.29Å; L1912-L1915 HydrophobicContact CD2-CB 3.74Å; L1912-L1915 HydrophobicContact CD2-CD2 3.97Å; L1912-L1915 HydrophobicContact CD2-CG 4.28Å; L1912-L1915 CarbonylContact O-C 3.47Å; T1913-L1915 PolarHBondContact O-N 2.92Å; L1915-Q1919 VanDerWaalsContact CG-NE2 3.32Å; L1915-Q1919 WeakPolarHBondContact O-CB 3.41Å; L1915-Q1919 WeakPolarHBondContact O-CG 3.21Å; L1915-Q1919 PolarHBondContact O-N 3.23Å; L1915-Q1919 PolarHBondContact O-NE2 2.89Å; L1915-Q1919 VanDerWaalsContact O-NE2 3.09Å |
| 1916 | V | 60.9 | Low | 56 | Low | 19 Ų | 19 | 39.7 Ų | 39.7 | 12% | 0.115 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -73.8 | 171 | 164.9 | 0 | 0 | 0 | 0 | 110 | L1674 L1912 T1913 R1918 Q1919 K1920 R1921 | L1674-V1916 HydrophobicContact CB-CG2 4.13Å; L1674-V1916 HydrophobicContact CD1-CB 4.23Å; L1674-V1916 HydrophobicContact CD1-CG1 4.06Å; L1674-V1916 HydrophobicContact CD1-CG2 3.85Å; L1674-V1916 HydrophobicContact CD2-CG2 3.72Å; L1674-V1916 HydrophobicContact CG-CG2 4.09Å; L1912-V1916 WeakPolarHBondContact O-CB 3.07Å; L1912-V1916 VanDerWaalsContact O-CG2 3.28Å; L1912-V1916 WeakPolarHBondContact O-CG2 3.07Å; L1912-V1916 PolarHBondContact O-N 2.85Å; T1913-V1916 VanDerWaalsContact C-N 3.3Å; T1913-V1916 VanDerWaalsContact CA-N 3.31Å; T1913-V1916 HydrophobicContact CG2-CB 4.05Å; T1913-V1916 HydrophobicContact CG2-CG1 4.21Å; T1913-V1916 CarbonylContact O-C 3.59Å; T1913-V1916 WeakPolarHBondContact O-CA 3.43Å; T1913-V1916 PolarHBondContact O-N 2.92Å; V1916-R1918 CarbonylContact O-C 3.35Å; V1916-R1918 WeakPolarHBondContact O-CA 3.46Å; V1916-R1918 PolarHBondContact O-N 2.86Å; V1916-Q1919 CarbonylContact O-C 3.16Å; V1916-Q1919 WeakPolarHBondContact O-CA 3.13Å; V1916-Q1919 PolarHBondContact O-N 3.34Å; V1916-K1920 HydrophobicContact CB-CB 4.33Å; V1916-K1920 HydrophobicContact CG1-CB 3.46Å; V1916-K1920 VanDerWaalsContact CG1-CB 3.46Å; V1916-K1920 HydrophobicContact CG1-CG 4.02Å; V1916-K1920 CarbonylContact O-C 3.25Å; V1916-K1920 WeakPolarHBondContact O-CA 3.46Å; V1916-K1920 WeakPolarHBondContact O-CB 3.14Å; V1916-K1920 PolarHBondContact O-N 2.32Å; V1916-R1921 PolarHBondContact O-N 3.06Å; V1916-R1921 VanDerWaalsContact O-N 3.11Å |
| 1917 | T | 58.8 | Low | 55.4 | Low | 45 Ų | 45 | 41.2 Ų | 41.2 | 28% | 0.276 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 3.8 | 155.7 | 78 | 0 | 0 | 0 | 0 | 116.2 | T1913 R1921 | T1913-T1917 WeakPolarHBondContact CB-OG1 3.46Å; T1913-T1917 HydrophobicContact CG2-CG2 4.1Å; T1913-T1917 CarbonylContact O-C 3.58Å; T1913-T1917 WeakPolarHBondContact O-CA 3.27Å; T1913-T1917 PolarHBondContact O-N 3.02Å; T1913-T1917 PolarHBondContact O-OG1 2.71Å; T1913-T1917 PolarHBondContact OG1-OG1 2.72Å; T1917-R1921 WeakPolarHBondContact O-CB 3.42Å; T1917-R1921 WeakPolarHBondContact O-CG 3.25Å; T1917-R1921 PolarHBondContact O-NE 2.82Å; T1917-R1921 PolarHBondContact OG1-NH2 3.07Å |
| 1918 | R | 54.3 | Low | 54.4 | Low | 49 Ų | 49 | 42 Ų | 42 | 19% | 0.185 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -81.2 | 142.4 | -152.8 | 176.7 | 173.1 | 169 | -1.9 | 108.3 | Q677 T1913 A1914 V1916 K1920 R1921 E1922 | Q677-R1918 HydrophobicContact CG-CG 3.91Å; T1913-R1918 PolarHBondContact O-N 3.4Å; A1914-R1918 HydrophobicContact CB-CB 4.47Å; A1914-R1918 WeakPolarHBondContact O-CB 3.17Å; A1914-R1918 WeakPolarHBondContact O-CD 3.45Å; A1914-R1918 WeakPolarHBondContact O-CG 3.13Å; V1916-R1918 CarbonylContact O-C 3.35Å; V1916-R1918 WeakPolarHBondContact O-CA 3.46Å; V1916-R1918 PolarHBondContact O-N 2.86Å; R1918-K1920 PolarHBondContact O-N 3.5Å; R1918-R1921 CarbonylContact O-C 3.11Å; R1918-R1921 WeakPolarHBondContact O-CA 3.49Å; R1918-R1921 PolarHBondContact O-N 2.31Å; R1918-E1922 WeakPolarHBondContact CG-OE1 2.96Å; R1918-E1922 VanDerWaalsContact CG-OE2 3.26Å; R1918-E1922 WeakPolarHBondContact CG-OE2 3.1Å; R1918-E1922 IonicContact NE-OE1 2.79Å; R1918-E1922 VanDerWaalsContact O-CA 3.3Å; R1918-E1922 WeakPolarHBondContact O-CA 3.24Å; R1918-E1922 WeakPolarHBondContact O-CB 3.44Å; R1918-E1922 WeakPolarHBondContact O-CG 3.08Å; R1918-E1922 PolarHBondContact O-N 2.76Å |
| 1919 | Q | 50.5 | Low | 53.9 | Low | 5 Ų | 5 | 44.5 Ų | 44.5 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 34.8 | 172.5 | -57.4 | 165.1 | 50.9 | 0 | 0 | 119.9 | Q677 L853 K1678 L1915 V1916 F1923 | Q677-Q1919 HydrophobicContact CB-CG 3.67Å; Q677-Q1919 HydrophobicContact CG-CG 4.02Å; L853-Q1919 VanDerWaalsContact N-OE1 3.09Å; K1678-Q1919 VanDerWaalsContact CE-CD 3.49Å; L1915-Q1919 VanDerWaalsContact CG-NE2 3.32Å; L1915-Q1919 WeakPolarHBondContact O-CB 3.41Å; L1915-Q1919 WeakPolarHBondContact O-CG 3.21Å; L1915-Q1919 PolarHBondContact O-N 3.23Å; L1915-Q1919 PolarHBondContact O-NE2 2.89Å; L1915-Q1919 VanDerWaalsContact O-NE2 3.09Å; V1916-Q1919 CarbonylContact O-C 3.16Å; V1916-Q1919 WeakPolarHBondContact O-CA 3.13Å; V1916-Q1919 PolarHBondContact O-N 3.34Å; Q1919-F1923 VanDerWaalsContact O-CB 3.25Å; Q1919-F1923 WeakPolarHBondContact O-CB 3.37Å; Q1919-F1923 WeakPolarHBondContact O-CD2 3.37Å; Q1919-F1923 WeakPolarHBondContact O-CG 3.38Å; Q1919-F1923 PolarHBondContact O-N 3.27Å; Q1919-F1923 VanDerWaalsContact O-N 3.12Å |
| 1920 | K | 55.3 | Low | 53.4 | Low | 89 Ų | 89 | 44.5 Ų | 44.5 | 39% | 0.387 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 167.2 | 6.9 | -162.5 | -129.9 | -96.8 | 177.8 | -77.9 | 0 | 110.9 | V1916 R1918 E1922 F1923 E1924 | V1916-K1920 HydrophobicContact CB-CB 4.33Å; V1916-K1920 HydrophobicContact CG1-CB 3.46Å; V1916-K1920 VanDerWaalsContact CG1-CB 3.46Å; V1916-K1920 HydrophobicContact CG1-CG 4.02Å; V1916-K1920 CarbonylContact O-C 3.25Å; V1916-K1920 WeakPolarHBondContact O-CA 3.46Å; V1916-K1920 WeakPolarHBondContact O-CB 3.14Å; V1916-K1920 PolarHBondContact O-N 2.32Å; R1918-K1920 PolarHBondContact O-N 3.5Å; K1920-E1922 VanDerWaalsContact N-N 3.1Å; K1920-F1923 HydrophobicContact CB-CB 4.36Å; K1920-F1923 HydrophobicContact CG-CB 4.12Å; K1920-F1923 HydrophobicContact CG-CD2 4.32Å; K1920-E1924 VanDerWaalsContact CD-OE1 3.31Å; K1920-E1924 WeakPolarHBondContact CD-OE1 3.26Å; K1920-E1924 WeakPolarHBondContact CG-OE1 3.24Å; K1920-E1924 IonicContact NZ-OE1 2.8Å; K1920-E1924 PolarHBondContact NZ-OE1 3.47Å; K1920-E1924 IonicContact NZ-OE2 3.52Å; K1920-E1924 PolarHBondContact NZ-OE2 3.27Å; K1920-E1924 WeakPolarHBondContact O-CB 3.39Å |
| 1921 | R | 52.5 | Low | 52.9 | Low | 142 Ų | 142 | 46.3 Ų | 46.3 | 54% | 0.536 | 22% | 0.223 | S | C | . | . | S | Bend | -111.2 | 32.6 | 121 | -59.5 | 178.2 | -79.3 | -145.2 | -12.2 | 110.6 | K678 V1916 T1917 R1918 E1924 H1925 | K678-R1921 PolarHBondContact NZ-O 2.93Å; V1916-R1921 PolarHBondContact O-N 3.06Å; V1916-R1921 VanDerWaalsContact O-N 3.11Å; T1917-R1921 WeakPolarHBondContact O-CB 3.42Å; T1917-R1921 WeakPolarHBondContact O-CG 3.25Å; T1917-R1921 PolarHBondContact O-NE 2.82Å; T1917-R1921 PolarHBondContact OG1-NH2 3.07Å; R1918-R1921 CarbonylContact O-C 3.11Å; R1918-R1921 WeakPolarHBondContact O-CA 3.49Å; R1918-R1921 PolarHBondContact O-N 2.31Å; R1921-E1924 CarbonylContact C-O 3.58Å; R1921-E1924 VanDerWaalsContact CA-C 3.42Å; R1921-E1924 WeakPolarHBondContact CA-O 3.27Å; R1921-E1924 CarbonylContact O-C 3.28Å; R1921-H1925 WeakPolarHBondContact O-CB 3.13Å; R1921-H1925 PolarHBondContact O-N 2.9Å | |
| 1922 | E | 46.7 | Very low | 52.6 | Low | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -162.5 | -18.8 | -177.8 | -54.9 | 159.4 | -174.1 | 0 | 0 | 116.2 | Q677 K678 R1918 K1920 H1925 L1926 | Q677-E1922 VanDerWaalsContact CA-OE2 3.28Å; Q677-E1922 WeakPolarHBondContact CA-OE2 3.42Å; Q677-E1922 WeakPolarHBondContact CB-OE2 3.36Å; Q677-E1922 WeakPolarHBondContact CG-OE2 3.46Å; K678-E1922 HydrophobicContact CB-CB 4.27Å; K678-E1922 HydrophobicContact CB-CG 3.44Å; K678-E1922 VanDerWaalsContact CB-CG 3.44Å; K678-E1922 VanDerWaalsContact CB-OE1 3.24Å; K678-E1922 WeakPolarHBondContact CB-OE1 3.04Å; K678-E1922 HydrophobicContact CD-CG 4.03Å; K678-E1922 WeakPolarHBondContact CD-OE1 3.4Å; K678-E1922 WeakPolarHBondContact CE-OE1 3.49Å; K678-E1922 HydrophobicContact CG-CG 3.57Å; K678-E1922 WeakPolarHBondContact CG-OE1 3.35Å; K678-E1922 VanDerWaalsContact N-CB 3.27Å; K678-E1922 VanDerWaalsContact N-CD 3.3Å; K678-E1922 PolarHBondContact N-OE2 3.2Å; K678-E1922 IonicContact NZ-OE1 2.72Å; K678-E1922 PolarHBondContact NZ-OE1 3.28Å; R1918-E1922 WeakPolarHBondContact CG-OE1 2.96Å; R1918-E1922 VanDerWaalsContact CG-OE2 3.26Å; R1918-E1922 WeakPolarHBondContact CG-OE2 3.1Å; R1918-E1922 IonicContact NE-OE1 2.79Å; R1918-E1922 VanDerWaalsContact O-CA 3.3Å; R1918-E1922 WeakPolarHBondContact O-CA 3.24Å; R1918-E1922 WeakPolarHBondContact O-CB 3.44Å; R1918-E1922 WeakPolarHBondContact O-CG 3.08Å; R1918-E1922 PolarHBondContact O-N 2.76Å; K1920-E1922 VanDerWaalsContact N-N 3.1Å; E1922-H1925 HydrophobicContact CB-CB 4.43Å; E1922-H1925 HydrophobicContact CG-CB 4.17Å; E1922-L1926 WeakPolarHBondContact O-CA 3.03Å; E1922-L1926 WeakPolarHBondContact O-CB 3.42Å; E1922-L1926 PolarHBondContact O-N 3.27Å |
| 1923 | F | 53.5 | Low | 52.4 | Low | 100 Ų | 100 | 49 Ų | 49 | 44% | 0.439 | 24% | 0.238 | S | C | . | . | H | α-helix | -57.2 | -75.7 | 115.1 | -68.6 | -37.7 | 0 | 0 | 0 | 103.8 | Q1919 K1920 H1925 L1926 T1927 E1928 | Q1919-F1923 VanDerWaalsContact O-CB 3.25Å; Q1919-F1923 WeakPolarHBondContact O-CB 3.37Å; Q1919-F1923 WeakPolarHBondContact O-CD2 3.37Å; Q1919-F1923 WeakPolarHBondContact O-CG 3.38Å; Q1919-F1923 PolarHBondContact O-N 3.27Å; Q1919-F1923 VanDerWaalsContact O-N 3.12Å; K1920-F1923 HydrophobicContact CB-CB 4.36Å; K1920-F1923 HydrophobicContact CG-CB 4.12Å; K1920-F1923 HydrophobicContact CG-CD2 4.32Å; F1923-H1925 PolarHBondContact O-N 3.18Å; F1923-L1926 PolarHBondContact O-N 2.75Å; F1923-T1927 VanDerWaalsContact CA-OG1 3.31Å; F1923-T1927 WeakPolarHBondContact CA-OG1 3.11Å; F1923-T1927 WeakPolarHBondContact CD1-OG1 3.34Å; F1923-T1927 CarbonylContact O-C 2.85Å; F1923-T1927 WeakPolarHBondContact O-CA 3Å; F1923-T1927 WeakPolarHBondContact O-CB 3.4Å; F1923-T1927 PolarHBondContact O-N 2.77Å; F1923-T1927 PolarHBondContact O-OG1 2.99Å; F1923-E1928 PolarHBondContact O-N 2.68Å | |
| 1924 | E | 49.9 | Very low | 52 | Low | 42 Ų | 42 | 48.8 Ų | 48.8 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.6 | 46.1 | 172.1 | -74.4 | 89.5 | -45.6 | 0 | 0 | 119.6 | K1920 R1921 T1927 E1928 | K1920-E1924 VanDerWaalsContact CD-OE1 3.31Å; K1920-E1924 WeakPolarHBondContact CD-OE1 3.26Å; K1920-E1924 WeakPolarHBondContact CG-OE1 3.24Å; K1920-E1924 IonicContact NZ-OE1 2.8Å; K1920-E1924 PolarHBondContact NZ-OE1 3.47Å; K1920-E1924 IonicContact NZ-OE2 3.52Å; K1920-E1924 PolarHBondContact NZ-OE2 3.27Å; K1920-E1924 WeakPolarHBondContact O-CB 3.39Å; R1921-E1924 CarbonylContact C-O 3.58Å; R1921-E1924 VanDerWaalsContact CA-C 3.42Å; R1921-E1924 WeakPolarHBondContact CA-O 3.27Å; R1921-E1924 CarbonylContact O-C 3.28Å; E1924-T1927 WeakPolarHBondContact CA-O 3.3Å; E1924-E1928 VanDerWaalsContact C-N 3.34Å; E1924-E1928 HydrophobicContact CB-CB 4.33Å; E1924-E1928 HydrophobicContact CB-CG 3.68Å; E1924-E1928 HydrophobicContact CG-CG 4.03Å; E1924-E1928 VanDerWaalsContact O-CB 3.22Å; E1924-E1928 WeakPolarHBondContact O-CB 3.31Å; E1924-E1928 VanDerWaalsContact O-CD 3.28Å; E1924-E1928 WeakPolarHBondContact O-CG 3.21Å; E1924-E1928 VanDerWaalsContact O-OE2 3.07Å |
| 1925 | H | 48.3 | Very low | 51.5 | Low | 85 Ų | 85 | 49.8 Ų | 49.8 | 39% | 0.394 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -155.8 | -16.1 | 152.2 | -86.5 | 18.9 | 0 | 0 | 0 | 114.4 | K678 R1921 E1922 F1923 E1928 M1929 | K678-H1925 WeakPolarHBondContact CE-CD2 3.12Å; K678-H1925 HydrophobicContact CG-CB 4.38Å; R1921-H1925 WeakPolarHBondContact O-CB 3.13Å; R1921-H1925 PolarHBondContact O-N 2.9Å; E1922-H1925 HydrophobicContact CB-CB 4.43Å; E1922-H1925 HydrophobicContact CG-CB 4.17Å; F1923-H1925 PolarHBondContact O-N 3.18Å; H1925-E1928 IonicContact CE1-OE2 2.99Å; H1925-E1928 PolarHBondContact CE1-OE2 3.28Å; H1925-E1928 VanDerWaalsContact CE1-OE2 3.25Å; H1925-E1928 IonicContact ND1-OE2 2.75Å; H1925-E1928 PolarHBondContact ND1-OE2 2.82Å; H1925-M1929 VanDerWaalsContact O-CB 3.28Å; H1925-M1929 WeakPolarHBondContact O-CB 3.5Å; H1925-M1929 WeakPolarHBondContact O-CG 3.36Å; H1925-M1929 PolarHBondContact O-N 2.71Å |
| 1926 | L | 46.6 | Very low | 51.2 | Low | 50 Ų | 50 | 53.9 Ų | 53.9 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -103.1 | -14.6 | 157.9 | -66.1 | 169.1 | 0 | 0 | 0 | 112.3 | A856 E1922 F1923 M1929 S1930 | A856-L1926 WeakPolarHBondContact O-CD1 3.31Å; E1922-L1926 WeakPolarHBondContact O-CA 3.03Å; E1922-L1926 WeakPolarHBondContact O-CB 3.42Å; E1922-L1926 PolarHBondContact O-N 3.27Å; F1923-L1926 PolarHBondContact O-N 2.75Å; L1926-M1929 HydrophobicContact CD2-CE 4.47Å; L1926-S1930 WeakPolarHBondContact O-CA 3.4Å; L1926-S1930 WeakPolarHBondContact O-CB 3.16Å; L1926-S1930 PolarHBondContact O-N 2.91Å |
| 1927 | T | 49.5 | Very low | 50.7 | Low | 32 Ų | 32 | 53 Ų | 53 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 21.6 | 160.5 | -29.6 | 0 | 0 | 0 | 0 | 110.3 | F1923 E1924 S1930 H1931 | F1923-T1927 VanDerWaalsContact CA-OG1 3.31Å; F1923-T1927 WeakPolarHBondContact CA-OG1 3.11Å; F1923-T1927 WeakPolarHBondContact CD1-OG1 3.34Å; F1923-T1927 CarbonylContact O-C 2.85Å; F1923-T1927 WeakPolarHBondContact O-CA 3Å; F1923-T1927 WeakPolarHBondContact O-CB 3.4Å; F1923-T1927 PolarHBondContact O-N 2.77Å; F1923-T1927 PolarHBondContact O-OG1 2.99Å; E1924-T1927 WeakPolarHBondContact CA-O 3.3Å; T1927-S1930 CarbonylContact C-O 2.97Å; T1927-S1930 VanDerWaalsContact CA-O 3.27Å; T1927-S1930 WeakPolarHBondContact CA-O 3.42Å; T1927-S1930 WeakPolarHBondContact CG2-O 3.32Å; T1927-S1930 CarbonylContact O-C 3.18Å; T1927-H1931 WeakPolarHBondContact O-CA 3.26Å; T1927-H1931 WeakPolarHBondContact O-CB 3.07Å; T1927-H1931 PolarHBondContact O-CD2 2.79Å; T1927-H1931 PolarHBondContact O-N 3.06Å |
| 1928 | E | 43.4 | Very low | 50.2 | Low | 64 Ų | 64 | 55 Ų | 55 | 30% | 0.299 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -12.3 | 141 | -92.4 | -177 | 171.2 | 0 | 0 | 109.1 | F1923 E1924 H1925 H1931 L1932 | F1923-E1928 PolarHBondContact O-N 2.68Å; E1924-E1928 VanDerWaalsContact C-N 3.34Å; E1924-E1928 HydrophobicContact CB-CB 4.33Å; E1924-E1928 HydrophobicContact CB-CG 3.68Å; E1924-E1928 HydrophobicContact CG-CG 4.03Å; E1924-E1928 VanDerWaalsContact O-CB 3.22Å; E1924-E1928 WeakPolarHBondContact O-CB 3.31Å; E1924-E1928 VanDerWaalsContact O-CD 3.28Å; E1924-E1928 WeakPolarHBondContact O-CG 3.21Å; E1924-E1928 VanDerWaalsContact O-OE2 3.07Å; H1925-E1928 IonicContact CE1-OE2 2.99Å; H1925-E1928 PolarHBondContact CE1-OE2 3.28Å; H1925-E1928 VanDerWaalsContact CE1-OE2 3.25Å; H1925-E1928 IonicContact ND1-OE2 2.75Å; H1925-E1928 PolarHBondContact ND1-OE2 2.82Å; E1928-H1931 HydrophobicContact CG-CB 4.29Å; E1928-L1932 HydrophobicContact CB-CD1 4.26Å; E1928-L1932 HydrophobicContact CB-CG 4.1Å; E1928-L1932 HydrophobicContact CG-CG 4.23Å; E1928-L1932 VanDerWaalsContact O-CA 3.25Å; E1928-L1932 WeakPolarHBondContact O-CA 3.16Å; E1928-L1932 WeakPolarHBondContact O-CB 3.05Å; E1928-L1932 WeakPolarHBondContact O-CG 3.17Å; E1928-L1932 PolarHBondContact O-N 3.29Å |
| 1929 | M | 50 | Low | 49.9 | Very low | 59 Ų | 59 | 56 Ų | 56 | 29% | 0.291 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -68.4 | -66.9 | 139.8 | -66.2 | -150.5 | -50.1 | 0 | 0 | 106.1 | P378 T379 H1925 L1926 H1931 L1932 E1933 E1934 | P378-M1929 VanDerWaalsContact O-SD 3.39Å; T379-M1929 WeakPolarHBondContact O-CE 3.38Å; H1925-M1929 VanDerWaalsContact O-CB 3.28Å; H1925-M1929 WeakPolarHBondContact O-CB 3.5Å; H1925-M1929 WeakPolarHBondContact O-CG 3.36Å; H1925-M1929 PolarHBondContact O-N 2.71Å; L1926-M1929 HydrophobicContact CD2-CE 4.47Å; M1929-H1931 PolarHBondContact O-N 2.7Å; M1929-L1932 PolarHBondContact O-N 2.71Å; M1929-E1933 HydrophobicContact CB-CB 4.43Å; M1929-E1933 HydrophobicContact CB-CG 4.06Å; M1929-E1933 HydrophobicContact CG-CG 4.3Å; M1929-E1933 CarbonylContact O-C 3.42Å; M1929-E1933 WeakPolarHBondContact O-CA 3.12Å; M1929-E1933 WeakPolarHBondContact O-CB 3.2Å; M1929-E1933 PolarHBondContact O-N 2.64Å; M1929-E1934 PolarHBondContact O-N 2.94Å |
| 1930 | S | 48.8 | Very low | 50.1 | Low | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -69.2 | 35.7 | 165.3 | -129.5 | 0 | 0 | 0 | 0 | 115.4 | D691 L692 L1926 T1927 E1934 | D691-S1930 PolarHBondContact O-OG 3.13Å; D691-S1930 VanDerWaalsContact O-OG 3.04Å; L692-S1930 VanDerWaalsContact CD2-OG 3.3Å; L692-S1930 WeakPolarHBondContact CD2-OG 3.35Å; L692-S1930 WeakPolarHBondContact CG-OG 3.46Å; L1926-S1930 WeakPolarHBondContact O-CA 3.4Å; L1926-S1930 WeakPolarHBondContact O-CB 3.16Å; L1926-S1930 PolarHBondContact O-N 2.91Å; T1927-S1930 CarbonylContact C-O 2.97Å; T1927-S1930 VanDerWaalsContact CA-O 3.27Å; T1927-S1930 WeakPolarHBondContact CA-O 3.42Å; T1927-S1930 WeakPolarHBondContact CG2-O 3.32Å; T1927-S1930 CarbonylContact O-C 3.18Å; S1930-E1934 VanDerWaalsContact C-CG 3.41Å; S1930-E1934 VanDerWaalsContact CB-OE1 3.24Å; S1930-E1934 WeakPolarHBondContact CB-OE1 3.05Å; S1930-E1934 WeakPolarHBondContact O-CB 3.29Å; S1930-E1934 WeakPolarHBondContact O-CG 3.32Å; S1930-E1934 VanDerWaalsContact O-OE1 3.06Å; S1930-E1934 VanDerWaalsContact OG-CD 3.29Å; S1930-E1934 WeakPolarHBondContact OG-CG 3.32Å; S1930-E1934 PolarHBondContact OG-OE1 2.8Å |
| 1931 | H | 48.6 | Very low | 50.3 | Low | 67 Ų | 67 | 55.2 Ų | 55.2 | 31% | 0.31 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -150.2 | 7.2 | 154.1 | -68.1 | -18.8 | 0 | 0 | 0 | 113.5 | T1927 E1928 M1929 E1934 S1935 | T1927-H1931 WeakPolarHBondContact O-CA 3.26Å; T1927-H1931 WeakPolarHBondContact O-CB 3.07Å; T1927-H1931 PolarHBondContact O-CD2 2.79Å; T1927-H1931 PolarHBondContact O-N 3.06Å; E1928-H1931 HydrophobicContact CG-CB 4.29Å; M1929-H1931 PolarHBondContact O-N 2.7Å; H1931-E1934 IonicContact CE1-OE2 3.81Å; H1931-E1934 PolarHBondContact CE1-OE2 2.81Å; H1931-E1934 IonicContact ND1-OE2 3.76Å; H1931-E1934 PolarHBondContact ND1-OE2 3.37Å; H1931-E1934 CarbonylContact O-C 3.01Å; H1931-S1935 WeakPolarHBondContact O-CB 3.35Å; H1931-S1935 PolarHBondContact O-N 2.9Å; H1931-S1935 PolarHBondContact O-OG 2.65Å |
| 1932 | L | 52.9 | Low | 50.2 | Low | 88 Ų | 88 | 50.1 Ų | 50.1 | 46% | 0.461 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -121.1 | -44.9 | 158.1 | -60 | 168.2 | 0 | 0 | 0 | 109.6 | E1928 M1929 S1935 R1936 | E1928-L1932 HydrophobicContact CB-CD1 4.26Å; E1928-L1932 HydrophobicContact CB-CG 4.1Å; E1928-L1932 HydrophobicContact CG-CG 4.23Å; E1928-L1932 VanDerWaalsContact O-CA 3.25Å; E1928-L1932 WeakPolarHBondContact O-CA 3.16Å; E1928-L1932 WeakPolarHBondContact O-CB 3.05Å; E1928-L1932 WeakPolarHBondContact O-CG 3.17Å; E1928-L1932 PolarHBondContact O-N 3.29Å; M1929-L1932 PolarHBondContact O-N 2.71Å; L1932-S1935 VanDerWaalsContact N-N 3.18Å; L1932-S1935 CarbonylContact O-C 3.24Å; L1932-S1935 WeakPolarHBondContact O-CA 3.18Å; L1932-S1935 PolarHBondContact O-N 2.96Å; L1932-R1936 WeakPolarHBondContact O-CB 3.29Å; L1932-R1936 VanDerWaalsContact O-CD 3.25Å; L1932-R1936 WeakPolarHBondContact O-CD 3.03Å; L1932-R1936 WeakPolarHBondContact O-CG 3.07Å; L1932-R1936 PolarHBondContact O-N 3.05Å |
| 1933 | E | 50.6 | Low | 50.4 | Low | 9 Ų | 9 | 54.7 Ų | 54.7 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -70.8 | -8.2 | 149.1 | -36 | -54.4 | 93.7 | 0 | 0 | 112.4 | T379 Q694 M1929 R1936 I1937 | T379-E1933 WeakPolarHBondContact CA-OE2 3.26Å; T379-E1933 PolarHBondContact N-OE2 2.77Å; Q694-E1933 HydrophobicContact CB-CB 4.11Å; Q694-E1933 VanDerWaalsContact OE1-CB 3.29Å; Q694-E1933 PolarHBondContact OE1-OE2 3.04Å; Q694-E1933 VanDerWaalsContact OE1-OE2 3.13Å; M1929-E1933 HydrophobicContact CB-CB 4.43Å; M1929-E1933 HydrophobicContact CB-CG 4.06Å; M1929-E1933 HydrophobicContact CG-CG 4.3Å; M1929-E1933 CarbonylContact O-C 3.42Å; M1929-E1933 WeakPolarHBondContact O-CA 3.12Å; M1929-E1933 WeakPolarHBondContact O-CB 3.2Å; M1929-E1933 PolarHBondContact O-N 2.64Å; E1933-R1936 CarbonylContact O-C 3.46Å; E1933-R1936 VanDerWaalsContact OE1-CD 3.25Å; E1933-R1936 WeakPolarHBondContact OE1-CD 2.74Å; E1933-R1936 IonicContact OE1-CZ 3.43Å; E1933-R1936 IonicContact OE1-NE 3.76Å; E1933-R1936 IonicContact OE1-NH1 2.62Å; E1933-R1936 PolarHBondContact OE1-NH1 2.87Å; E1933-R1936 IonicContact OE2-CZ 3.94Å; E1933-R1936 IonicContact OE2-NH1 2.74Å; E1933-R1936 PolarHBondContact OE2-NH1 2.7Å; E1933-I1937 VanDerWaalsContact C-N 3.34Å; E1933-I1937 WeakPolarHBondContact O-CA 3.48Å; E1933-I1937 WeakPolarHBondContact O-CB 3.23Å; E1933-I1937 WeakPolarHBondContact O-CD1 3.42Å; E1933-I1937 WeakPolarHBondContact O-CG1 3.28Å; E1933-I1937 PolarHBondContact O-N 3.12Å |
| 1934 | E | 50.8 | Low | 50.6 | Low | 21 Ų | 21 | 53 Ų | 53 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -110.7 | 24.4 | 143.6 | -55.8 | 164.3 | -149.1 | 0 | 0 | 114.4 | M1929 S1930 H1931 R1936 I1937 L1938 | M1929-E1934 PolarHBondContact O-N 2.94Å; S1930-E1934 VanDerWaalsContact C-CG 3.41Å; S1930-E1934 VanDerWaalsContact CB-OE1 3.24Å; S1930-E1934 WeakPolarHBondContact CB-OE1 3.05Å; S1930-E1934 WeakPolarHBondContact O-CB 3.29Å; S1930-E1934 WeakPolarHBondContact O-CG 3.32Å; S1930-E1934 VanDerWaalsContact O-OE1 3.06Å; S1930-E1934 VanDerWaalsContact OG-CD 3.29Å; S1930-E1934 WeakPolarHBondContact OG-CG 3.32Å; S1930-E1934 PolarHBondContact OG-OE1 2.8Å; H1931-E1934 IonicContact CE1-OE2 3.81Å; H1931-E1934 PolarHBondContact CE1-OE2 2.81Å; H1931-E1934 IonicContact ND1-OE2 3.76Å; H1931-E1934 PolarHBondContact ND1-OE2 3.37Å; H1931-E1934 CarbonylContact O-C 3.01Å; E1934-R1936 VanDerWaalsContact C-N 3.31Å; E1934-I1937 HydrophobicContact CB-CB 3.75Å; E1934-I1937 HydrophobicContact CB-CD1 4.38Å; E1934-I1937 HydrophobicContact CB-CG2 4.29Å; E1934-I1937 HydrophobicContact CG-CB 3.48Å; E1934-I1937 VanDerWaalsContact CG-CB 3.48Å; E1934-I1937 HydrophobicContact CG-CD1 3.53Å; E1934-I1937 HydrophobicContact CG-CG1 4.14Å; E1934-I1937 HydrophobicContact CG-CG2 3.72Å; E1934-L1938 VanDerWaalsContact CA-N 3.27Å; E1934-L1938 HydrophobicContact CB-CB 4.14Å; E1934-L1938 CarbonylContact O-C 3.55Å; E1934-L1938 WeakPolarHBondContact O-CA 3.24Å; E1934-L1938 WeakPolarHBondContact O-CB 3.24Å; E1934-L1938 PolarHBondContact O-N 3.29Å |
| 1935 | S | 49.8 | Very low | 50.9 | Low | 57 Ų | 57 | 55 Ų | 55 | 40% | 0.399 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -116.7 | 38.3 | 143.1 | -66.1 | 0 | 0 | 0 | 0 | 107.3 | H1931 L1932 N1939 | H1931-S1935 WeakPolarHBondContact O-CB 3.35Å; H1931-S1935 PolarHBondContact O-N 2.9Å; H1931-S1935 PolarHBondContact O-OG 2.65Å; L1932-S1935 VanDerWaalsContact N-N 3.18Å; L1932-S1935 CarbonylContact O-C 3.24Å; L1932-S1935 WeakPolarHBondContact O-CA 3.18Å; L1932-S1935 PolarHBondContact O-N 2.96Å; S1935-N1939 VanDerWaalsContact C-N 3.33Å; S1935-N1939 WeakPolarHBondContact O-CB 3.45Å |
| 1936 | R | 53.4 | Low | 50.9 | Low | 103 Ų | 103 | 54.4 Ų | 54.4 | 39% | 0.389 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -161.9 | -16.5 | 171.4 | -65.2 | 161.9 | 165.2 | -168.8 | -6.6 | 111 | Q694 L1932 E1933 E1934 N1939 L1940 | Q694-R1936 VanDerWaalsContact CD-CB 3.41Å; Q694-R1936 HydrophobicContact CG-CB 4.27Å; Q694-R1936 VanDerWaalsContact OE1-CB 3.31Å; L1932-R1936 WeakPolarHBondContact O-CB 3.29Å; L1932-R1936 VanDerWaalsContact O-CD 3.25Å; L1932-R1936 WeakPolarHBondContact O-CD 3.03Å; L1932-R1936 WeakPolarHBondContact O-CG 3.07Å; L1932-R1936 PolarHBondContact O-N 3.05Å; E1933-R1936 CarbonylContact O-C 3.46Å; E1933-R1936 VanDerWaalsContact OE1-CD 3.25Å; E1933-R1936 WeakPolarHBondContact OE1-CD 2.74Å; E1933-R1936 IonicContact OE1-CZ 3.43Å; E1933-R1936 IonicContact OE1-NE 3.76Å; E1933-R1936 IonicContact OE1-NH1 2.62Å; E1933-R1936 PolarHBondContact OE1-NH1 2.87Å; E1933-R1936 IonicContact OE2-CZ 3.94Å; E1933-R1936 IonicContact OE2-NH1 2.74Å; E1933-R1936 PolarHBondContact OE2-NH1 2.7Å; E1934-R1936 VanDerWaalsContact C-N 3.31Å; R1936-N1939 VanDerWaalsContact N-N 3.18Å; R1936-L1940 HydrophobicContact CB-CG 4.47Å; R1936-L1940 VanDerWaalsContact O-CA 3.25Å; R1936-L1940 WeakPolarHBondContact O-CA 3.44Å; R1936-L1940 WeakPolarHBondContact O-CB 3.27Å; R1936-L1940 WeakPolarHBondContact O-CD1 3.09Å; R1936-L1940 WeakPolarHBondContact O-CG 3.17Å; R1936-L1940 PolarHBondContact O-N 3.42Å |
| 1937 | I | 50.6 | Low | 51.5 | Low | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -79.9 | -84.5 | 137.5 | -62.6 | 144.8 | 0 | 0 | 0 | 102.9 | L692 K693 Q694 E1933 E1934 N1939 L1940 S1941 S1942 | L692-I1937 HydrophobicContact CD2-CD1 4.1Å; K693-I1937 HydrophobicContact CB-CD1 4.47Å; K693-I1937 HydrophobicContact CB-CG1 4.02Å; K693-I1937 HydrophobicContact CB-CG2 4.41Å; Q694-I1937 HydrophobicContact CB-CD1 4.19Å; Q694-I1937 HydrophobicContact CB-CG1 3.92Å; Q694-I1937 HydrophobicContact CG-CG1 3.96Å; Q694-I1937 VanDerWaalsContact N-CG1 3.31Å; E1933-I1937 VanDerWaalsContact C-N 3.34Å; E1933-I1937 WeakPolarHBondContact O-CA 3.48Å; E1933-I1937 WeakPolarHBondContact O-CB 3.23Å; E1933-I1937 WeakPolarHBondContact O-CD1 3.42Å; E1933-I1937 WeakPolarHBondContact O-CG1 3.28Å; E1933-I1937 PolarHBondContact O-N 3.12Å; E1934-I1937 HydrophobicContact CB-CB 3.75Å; E1934-I1937 HydrophobicContact CB-CD1 4.38Å; E1934-I1937 HydrophobicContact CB-CG2 4.29Å; E1934-I1937 HydrophobicContact CG-CB 3.48Å; E1934-I1937 VanDerWaalsContact CG-CB 3.48Å; E1934-I1937 HydrophobicContact CG-CD1 3.53Å; E1934-I1937 HydrophobicContact CG-CG1 4.14Å; E1934-I1937 HydrophobicContact CG-CG2 3.72Å; I1937-N1939 CarbonylContact O-C 2.9Å; I1937-N1939 WeakPolarHBondContact O-CA 2.93Å; I1937-N1939 PolarHBondContact O-N 2.75Å; I1937-L1940 CarbonylContact O-C 3.21Å; I1937-L1940 WeakPolarHBondContact O-CA 3.26Å; I1937-L1940 PolarHBondContact O-N 3.33Å; I1937-S1941 CarbonylContact O-C 3.36Å; I1937-S1941 WeakPolarHBondContact O-CA 2.87Å; I1937-S1941 WeakPolarHBondContact O-CB 3.19Å; I1937-S1941 PolarHBondContact O-N 2.65Å; I1937-S1942 PolarHBondContact O-N 3.33Å |
| 1938 | L | 48.5 | Very low | 52.3 | Low | 87 Ų | 87 | 53.6 Ų | 53.6 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 21.1 | 175.5 | -131.3 | 76.2 | 0 | 0 | 0 | 117.5 | E1934 S1941 S1942 | E1934-L1938 VanDerWaalsContact CA-N 3.27Å; E1934-L1938 HydrophobicContact CB-CB 4.14Å; E1934-L1938 CarbonylContact O-C 3.55Å; E1934-L1938 WeakPolarHBondContact O-CA 3.24Å; E1934-L1938 WeakPolarHBondContact O-CB 3.24Å; E1934-L1938 PolarHBondContact O-N 3.29Å; L1938-S1941 WeakPolarHBondContact CD1-O 3.04Å; L1938-S1942 VanDerWaalsContact CA-N 3.33Å; L1938-S1942 WeakPolarHBondContact O-CB 3.06Å; L1938-S1942 PolarHBondContact O-N 3.25Å |
| 1939 | N | 47.1 | Very low | 52.8 | Low | 69 Ų | 69 | 53.7 Ų | 53.7 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.1 | 1.8 | 147.8 | -151.4 | 10.3 | 0 | 0 | 0 | 116.6 | S1935 R1936 I1937 Q1943 | S1935-N1939 VanDerWaalsContact C-N 3.33Å; S1935-N1939 WeakPolarHBondContact O-CB 3.45Å; R1936-N1939 VanDerWaalsContact N-N 3.18Å; I1937-N1939 CarbonylContact O-C 2.9Å; I1937-N1939 WeakPolarHBondContact O-CA 2.93Å; I1937-N1939 PolarHBondContact O-N 2.75Å; N1939-Q1943 VanDerWaalsContact C-N 3.32Å; N1939-Q1943 WeakPolarHBondContact O-CA 3.47Å; N1939-Q1943 WeakPolarHBondContact O-CB 3.46Å; N1939-Q1943 WeakPolarHBondContact O-CG 3.06Å; N1939-Q1943 PolarHBondContact O-N 3.34Å; N1939-Q1943 VanDerWaalsContact O-N 3.1Å |
| 1940 | L | 56.2 | Low | 53.1 | Low | 67 Ų | 67 | 53.1 Ų | 53.1 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 42.2 | 148.7 | -41.3 | 163.4 | 0 | 0 | 0 | 108.9 | R1936 I1937 Q1943 Q1944 | R1936-L1940 HydrophobicContact CB-CG 4.47Å; R1936-L1940 VanDerWaalsContact O-CA 3.25Å; R1936-L1940 WeakPolarHBondContact O-CA 3.44Å; R1936-L1940 WeakPolarHBondContact O-CB 3.27Å; R1936-L1940 WeakPolarHBondContact O-CD1 3.09Å; R1936-L1940 WeakPolarHBondContact O-CG 3.17Å; R1936-L1940 PolarHBondContact O-N 3.42Å; I1937-L1940 CarbonylContact O-C 3.21Å; I1937-L1940 WeakPolarHBondContact O-CA 3.26Å; I1937-L1940 PolarHBondContact O-N 3.33Å; L1940-Q1943 HydrophobicContact CD2-CB 4.42Å; L1940-Q1944 HydrophobicContact CB-CG 3.91Å; L1940-Q1944 WeakPolarHBondContact O-CB 3.33Å; L1940-Q1944 WeakPolarHBondContact O-CG 3.01Å; L1940-Q1944 PolarHBondContact O-NE2 2.93Å |
| 1941 | S | 57.7 | Low | 53.8 | Low | 10 Ų | 10 | 53.2 Ų | 53.2 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 175.5 | -7.1 | -168.5 | -141.9 | 0 | 0 | 0 | 0 | 109.4 | I1937 L1938 Q1944 R1945 | I1937-S1941 CarbonylContact O-C 3.36Å; I1937-S1941 WeakPolarHBondContact O-CA 2.87Å; I1937-S1941 WeakPolarHBondContact O-CB 3.19Å; I1937-S1941 PolarHBondContact O-N 2.65Å; L1938-S1941 WeakPolarHBondContact CD1-O 3.04Å; S1941-Q1944 WeakPolarHBondContact CA-O 3.41Å; S1941-R1945 VanDerWaalsContact CA-N 3.26Å; S1941-R1945 WeakPolarHBondContact O-CB 3.43Å; S1941-R1945 WeakPolarHBondContact O-CG 3.16Å; S1941-R1945 PolarHBondContact O-N 3.43Å; S1941-R1945 PolarHBondContact O-NE 3.23Å; S1941-R1945 PolarHBondContact OG-NE 3.41Å; S1941-R1945 PolarHBondContact OG-NH2 2.75Å |
| 1942 | S | 51.9 | Low | 54.1 | Low | 35 Ų | 35 | 54.6 Ų | 54.6 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | S | Bend | -85.2 | -67 | 120.9 | -163.5 | 0 | 0 | 0 | 0 | 107.8 | I1937 L1938 Q1944 R1945 D1946 | I1937-S1942 PolarHBondContact O-N 3.33Å; L1938-S1942 VanDerWaalsContact CA-N 3.33Å; L1938-S1942 WeakPolarHBondContact O-CB 3.06Å; L1938-S1942 PolarHBondContact O-N 3.25Å; S1942-Q1944 CarbonylContact O-C 3.59Å; S1942-Q1944 PolarHBondContact O-N 2.72Å; S1942-R1945 CarbonylContact O-C 3.43Å; S1942-R1945 WeakPolarHBondContact O-CA 3.29Å; S1942-R1945 PolarHBondContact O-N 2.71Å; S1942-D1946 WeakPolarHBondContact CA-OD2 3.43Å; S1942-D1946 WeakPolarHBondContact CB-OD2 2.95Å; S1942-D1946 WeakPolarHBondContact O-CA 3.26Å; S1942-D1946 WeakPolarHBondContact O-CB 3.48Å; S1942-D1946 PolarHBondContact O-N 2.87Å; S1942-D1946 PolarHBondContact OG-OD2 2.88Å | |
| 1943 | Q | 50.7 | Low | 54.3 | Low | 98 Ų | 98 | 52.2 Ų | 52.2 | 46% | 0.458 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -9.3 | 177 | -58.2 | 167.9 | 10.5 | 0 | 0 | 115.9 | N1939 L1940 D1946 L1947 | N1939-Q1943 VanDerWaalsContact C-N 3.32Å; N1939-Q1943 WeakPolarHBondContact O-CA 3.47Å; N1939-Q1943 WeakPolarHBondContact O-CB 3.46Å; N1939-Q1943 WeakPolarHBondContact O-CG 3.06Å; N1939-Q1943 PolarHBondContact O-N 3.34Å; N1939-Q1943 VanDerWaalsContact O-N 3.1Å; L1940-Q1943 HydrophobicContact CD2-CB 4.42Å; Q1943-D1946 PolarHBondContact N-OD2 2.83Å; Q1943-L1947 WeakPolarHBondContact O-CA 3.36Å; Q1943-L1947 WeakPolarHBondContact O-CB 2.85Å; Q1943-L1947 WeakPolarHBondContact O-CD1 3.27Å; Q1943-L1947 PolarHBondContact O-N 2.92Å |
| 1944 | Q | 56.6 | Low | 54.6 | Low | 64 Ų | 64 | 55.3 Ų | 55.3 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | 38.2 | 162.5 | -33.5 | 172.8 | 114 | 0 | 0 | 112.6 | L1940 S1941 S1942 L1947 I1948 | L1940-Q1944 HydrophobicContact CB-CG 3.91Å; L1940-Q1944 WeakPolarHBondContact O-CB 3.33Å; L1940-Q1944 WeakPolarHBondContact O-CG 3.01Å; L1940-Q1944 PolarHBondContact O-NE2 2.93Å; S1941-Q1944 WeakPolarHBondContact CA-O 3.41Å; S1942-Q1944 CarbonylContact O-C 3.59Å; S1942-Q1944 PolarHBondContact O-N 2.72Å; Q1944-L1947 HydrophobicContact CB-CB 4.04Å; Q1944-L1947 HydrophobicContact CG-CB 4.09Å; Q1944-I1948 VanDerWaalsContact CA-N 3.29Å; Q1944-I1948 HydrophobicContact CB-CD1 4.45Å; Q1944-I1948 HydrophobicContact CB-CG1 3.99Å; Q1944-I1948 WeakPolarHBondContact O-CB 3.1Å; Q1944-I1948 WeakPolarHBondContact O-CD1 3.49Å; Q1944-I1948 WeakPolarHBondContact O-CG1 3.15Å; Q1944-I1948 PolarHBondContact O-N 3.01Å |
| 1945 | R | 56.1 | Low | 55.2 | Low | 86 Ų | 86 | 55.1 Ų | 55.1 | 33% | 0.325 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | 34 | 134.4 | -65.6 | 174.3 | -95.8 | -139.7 | -19.2 | 107.2 | D691 S1941 S1942 I1948 N1949 | D691-R1945 IonicContact OD2-CZ 2.88Å; D691-R1945 IonicContact OD2-NH1 2.67Å; D691-R1945 PolarHBondContact OD2-NH1 3.34Å; D691-R1945 VanDerWaalsContact OD2-NH1 3.12Å; D691-R1945 IonicContact OD2-NH2 3.22Å; D691-R1945 PolarHBondContact OD2-NH2 3.06Å; S1941-R1945 VanDerWaalsContact CA-N 3.26Å; S1941-R1945 WeakPolarHBondContact O-CB 3.43Å; S1941-R1945 WeakPolarHBondContact O-CG 3.16Å; S1941-R1945 PolarHBondContact O-N 3.43Å; S1941-R1945 PolarHBondContact O-NE 3.23Å; S1941-R1945 PolarHBondContact OG-NE 3.41Å; S1941-R1945 PolarHBondContact OG-NH2 2.75Å; S1942-R1945 CarbonylContact O-C 3.43Å; S1942-R1945 WeakPolarHBondContact O-CA 3.29Å; S1942-R1945 PolarHBondContact O-N 2.71Å; R1945-I1948 HydrophobicContact CG-CB 4.37Å; R1945-N1949 VanDerWaalsContact C-N 3.29Å; R1945-N1949 WeakPolarHBondContact O-CB 3.28Å; R1945-N1949 PolarHBondContact O-ND2 3.39Å; R1945-N1949 VanDerWaalsContact O-ND2 3.07Å |
| 1946 | D | 49.7 | Very low | 55.8 | Low | 71 Ų | 71 | 55.4 Ų | 55.4 | 38% | 0.38 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | -47.8 | 168.9 | -67.2 | -50.9 | 0 | 0 | 0 | 103.5 | S1942 Q1943 N1949 Q1950 | S1942-D1946 WeakPolarHBondContact CA-OD2 3.43Å; S1942-D1946 WeakPolarHBondContact CB-OD2 2.95Å; S1942-D1946 WeakPolarHBondContact O-CA 3.26Å; S1942-D1946 WeakPolarHBondContact O-CB 3.48Å; S1942-D1946 PolarHBondContact O-N 2.87Å; S1942-D1946 PolarHBondContact OG-OD2 2.88Å; Q1943-D1946 PolarHBondContact N-OD2 2.83Å; D1946-N1949 CarbonylContact O-C 3.59Å; D1946-Q1950 WeakPolarHBondContact O-CA 3.29Å; D1946-Q1950 WeakPolarHBondContact O-CB 3.14Å; D1946-Q1950 WeakPolarHBondContact O-CG 3.45Å; D1946-Q1950 PolarHBondContact O-N 3.14Å; D1946-Q1950 PolarHBondContact O-OE1 3.29Å |
| 1947 | L | 59.7 | Low | 56 | Low | 44 Ų | 44 | 51.8 Ų | 51.8 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -69.3 | -47.3 | 152 | -89.4 | 80.9 | 0 | 0 | 0 | 111.8 | C731 Q1943 Q1944 Q1950 L1951 | C731-L1947 HydrophobicContact CB-CD2 3.93Å; Q1943-L1947 WeakPolarHBondContact O-CA 3.36Å; Q1943-L1947 WeakPolarHBondContact O-CB 2.85Å; Q1943-L1947 WeakPolarHBondContact O-CD1 3.27Å; Q1943-L1947 PolarHBondContact O-N 2.92Å; Q1944-L1947 HydrophobicContact CB-CB 4.04Å; Q1944-L1947 HydrophobicContact CG-CB 4.09Å; L1947-Q1950 CarbonylContact O-C 3.47Å; L1947-Q1950 VanDerWaalsContact O-CA 3.3Å; L1947-Q1950 WeakPolarHBondContact O-CA 3.44Å; L1947-Q1950 PolarHBondContact O-N 3.22Å; L1947-L1951 HydrophobicContact CB-CD1 4Å; L1947-L1951 VanDerWaalsContact O-CB 3.26Å; L1947-L1951 WeakPolarHBondContact O-CB 3.44Å; L1947-L1951 VanDerWaalsContact O-CD1 3.23Å; L1947-L1951 WeakPolarHBondContact O-CD1 3.21Å; L1947-L1951 WeakPolarHBondContact O-CG 3.44Å; L1947-L1951 PolarHBondContact O-N 2.51Å |
| 1948 | I | 64.9 | Low | 56.8 | Low | 22 Ų | 22 | 55 Ų | 55 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -66.3 | -42.2 | 174.1 | -62.7 | 176.1 | 0 | 0 | 0 | 109.7 | Q1944 R1945 Q1950 L1951 E1952 | Q1944-I1948 VanDerWaalsContact CA-N 3.29Å; Q1944-I1948 HydrophobicContact CB-CD1 4.45Å; Q1944-I1948 HydrophobicContact CB-CG1 3.99Å; Q1944-I1948 WeakPolarHBondContact O-CB 3.1Å; Q1944-I1948 WeakPolarHBondContact O-CD1 3.49Å; Q1944-I1948 WeakPolarHBondContact O-CG1 3.15Å; Q1944-I1948 PolarHBondContact O-N 3.01Å; R1945-I1948 HydrophobicContact CG-CB 4.37Å; I1948-Q1950 PolarHBondContact O-N 3.49Å; I1948-L1951 CarbonylContact O-C 3.53Å; I1948-L1951 VanDerWaalsContact O-C 3.3Å; I1948-L1951 WeakPolarHBondContact O-CA 3.44Å; I1948-L1951 PolarHBondContact O-N 3.49Å; I1948-E1952 HydrophobicContact CG2-CB 3.88Å; I1948-E1952 HydrophobicContact CG2-CG 3.48Å; I1948-E1952 VanDerWaalsContact CG2-CG 3.48Å; I1948-E1952 VanDerWaalsContact CG2-OE1 3.24Å; I1948-E1952 WeakPolarHBondContact CG2-OE1 3.46Å; I1948-E1952 WeakPolarHBondContact CG2-OE2 3.11Å; I1948-E1952 WeakPolarHBondContact O-CA 3.25Å; I1948-E1952 VanDerWaalsContact O-CB 3.24Å; I1948-E1952 WeakPolarHBondContact O-CB 3.44Å; I1948-E1952 PolarHBondContact O-N 3.06Å |
| 1949 | N | 55.2 | Low | 57.4 | Low | 66 Ų | 66 | 52.1 Ų | 52.1 | 35% | 0.353 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -72.2 | 7.8 | 168.3 | -61.5 | 3.5 | 0 | 0 | 0 | 113.7 | R1945 D1946 K1953 | R1945-N1949 VanDerWaalsContact C-N 3.29Å; R1945-N1949 WeakPolarHBondContact O-CB 3.28Å; R1945-N1949 PolarHBondContact O-ND2 3.39Å; R1945-N1949 VanDerWaalsContact O-ND2 3.07Å; D1946-N1949 CarbonylContact O-C 3.59Å; N1949-K1953 WeakPolarHBondContact O-CD 3.49Å; N1949-K1953 WeakPolarHBondContact O-CE 3.4Å; N1949-K1953 WeakPolarHBondContact O-CG 3.26Å; N1949-K1953 PolarHBondContact O-NZ 3.22Å; N1949-K1953 VanDerWaalsContact O-NZ 3.13Å |
| 1950 | Q | 54.9 | Low | 58.2 | Low | 46 Ų | 46 | 50.2 Ų | 50.2 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -116.9 | 8.3 | 162 | -71.2 | 163.1 | 2.8 | 0 | 0 | 111.1 | G1456 D1946 L1947 I1948 L1954 | G1456-Q1950 PolarHBondContact O-NE2 2.67Å; D1946-Q1950 WeakPolarHBondContact O-CA 3.29Å; D1946-Q1950 WeakPolarHBondContact O-CB 3.14Å; D1946-Q1950 WeakPolarHBondContact O-CG 3.45Å; D1946-Q1950 PolarHBondContact O-N 3.14Å; D1946-Q1950 PolarHBondContact O-OE1 3.29Å; L1947-Q1950 CarbonylContact O-C 3.47Å; L1947-Q1950 VanDerWaalsContact O-CA 3.3Å; L1947-Q1950 WeakPolarHBondContact O-CA 3.44Å; L1947-Q1950 PolarHBondContact O-N 3.22Å; I1948-Q1950 PolarHBondContact O-N 3.49Å; Q1950-L1954 VanDerWaalsContact C-N 3.29Å; Q1950-L1954 WeakPolarHBondContact O-CA 2.94Å; Q1950-L1954 WeakPolarHBondContact O-CB 3.15Å; Q1950-L1954 WeakPolarHBondContact O-CD1 3.48Å; Q1950-L1954 WeakPolarHBondContact O-CG 2.99Å; Q1950-L1954 PolarHBondContact O-N 2.64Å |
| 1951 | L | 63.3 | Low | 58.4 | Low | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -121.9 | -62 | 173.8 | -63.8 | 156.2 | 0 | 0 | 0 | 106.5 | N729 L1947 I1948 K1953 L1954 Q1955 I1956 | N729-L1951 HydrophobicContact CB-CD1 4.31Å; L1947-L1951 HydrophobicContact CB-CD1 4Å; L1947-L1951 VanDerWaalsContact O-CB 3.26Å; L1947-L1951 WeakPolarHBondContact O-CB 3.44Å; L1947-L1951 VanDerWaalsContact O-CD1 3.23Å; L1947-L1951 WeakPolarHBondContact O-CD1 3.21Å; L1947-L1951 WeakPolarHBondContact O-CG 3.44Å; L1947-L1951 PolarHBondContact O-N 2.51Å; I1948-L1951 CarbonylContact O-C 3.53Å; I1948-L1951 VanDerWaalsContact O-C 3.3Å; I1948-L1951 WeakPolarHBondContact O-CA 3.44Å; I1948-L1951 PolarHBondContact O-N 3.49Å; L1951-K1953 CarbonylContact O-C 3.08Å; L1951-K1953 VanDerWaalsContact O-CA 3.24Å; L1951-K1953 WeakPolarHBondContact O-CA 3.46Å; L1951-K1953 PolarHBondContact O-N 2.8Å; L1951-L1954 CarbonylContact O-C 3.51Å; L1951-L1954 PolarHBondContact O-N 3.26Å; L1951-Q1955 HydrophobicContact CB-CB 4.09Å; L1951-Q1955 CarbonylContact O-C 3.45Å; L1951-Q1955 WeakPolarHBondContact O-CA 3.42Å; L1951-Q1955 WeakPolarHBondContact O-CB 3.25Å; L1951-Q1955 PolarHBondContact O-N 3.46Å; L1951-I1956 PolarHBondContact O-N 2.74Å |
| 1952 | E | 55.1 | Low | 58.7 | Low | 97 Ų | 97 | 50.6 Ų | 50.6 | 45% | 0.453 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -48.5 | 2.7 | 146 | -67.9 | 165.1 | -165.2 | 0 | 0 | 114.7 | I1948 I1956 | I1948-E1952 HydrophobicContact CG2-CB 3.88Å; I1948-E1952 HydrophobicContact CG2-CG 3.48Å; I1948-E1952 VanDerWaalsContact CG2-CG 3.48Å; I1948-E1952 VanDerWaalsContact CG2-OE1 3.24Å; I1948-E1952 WeakPolarHBondContact CG2-OE1 3.46Å; I1948-E1952 WeakPolarHBondContact CG2-OE2 3.11Å; I1948-E1952 WeakPolarHBondContact O-CA 3.25Å; I1948-E1952 VanDerWaalsContact O-CB 3.24Å; I1948-E1952 WeakPolarHBondContact O-CB 3.44Å; I1948-E1952 PolarHBondContact O-N 3.06Å; E1952-I1956 HydrophobicContact CB-CD1 4.09Å; E1952-I1956 HydrophobicContact CB-CG1 4.33Å; E1952-I1956 HydrophobicContact CG-CD1 4.45Å; E1952-I1956 VanDerWaalsContact O-CB 3.29Å; E1952-I1956 WeakPolarHBondContact O-CB 3.45Å; E1952-I1956 WeakPolarHBondContact O-CD1 3.21Å; E1952-I1956 WeakPolarHBondContact O-CG1 3.18Å |
| 1953 | K | 57.6 | Low | 59 | Low | 38 Ų | 38 | 52.3 Ų | 52.3 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -105.7 | -63.8 | 137.7 | -62.6 | 166.6 | -153.1 | 160.1 | 0 | 115.1 | L1458 D1459 N1949 L1951 Q1955 I1956 Q1957 | L1458-K1953 WeakPolarHBondContact O-CD 3.41Å; L1458-K1953 WeakPolarHBondContact O-CE 3.33Å; L1458-K1953 PolarHBondContact O-NZ 2.8Å; D1459-K1953 HydrophobicContact CB-CD 3.59Å; D1459-K1953 HydrophobicContact CB-CG 4.15Å; D1459-K1953 WeakPolarHBondContact O-CE 3.39Å; D1459-K1953 PolarHBondContact O-NZ 3.14Å; D1459-K1953 WeakPolarHBondContact OD2-CD 3.44Å; D1459-K1953 WeakPolarHBondContact OD2-CG 3.34Å; N1949-K1953 WeakPolarHBondContact O-CD 3.49Å; N1949-K1953 WeakPolarHBondContact O-CE 3.4Å; N1949-K1953 WeakPolarHBondContact O-CG 3.26Å; N1949-K1953 PolarHBondContact O-NZ 3.22Å; N1949-K1953 VanDerWaalsContact O-NZ 3.13Å; L1951-K1953 CarbonylContact O-C 3.08Å; L1951-K1953 VanDerWaalsContact O-CA 3.24Å; L1951-K1953 WeakPolarHBondContact O-CA 3.46Å; L1951-K1953 PolarHBondContact O-N 2.8Å; K1953-Q1955 PolarHBondContact O-N 2.86Å; K1953-I1956 CarbonylContact O-C 3.24Å; K1953-I1956 PolarHBondContact O-N 3.36Å; K1953-Q1957 VanDerWaalsContact O-CA 3.23Å; K1953-Q1957 WeakPolarHBondContact O-CA 2.86Å; K1953-Q1957 WeakPolarHBondContact O-CB 2.89Å; K1953-Q1957 WeakPolarHBondContact O-CG 2.89Å; K1953-Q1957 PolarHBondContact O-N 3.47Å |
| 1954 | L | 57.1 | Low | 59.4 | Low | 73 Ų | 73 | 50.3 Ų | 50.3 | 38% | 0.382 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -73.2 | 46.6 | 175.4 | -52.7 | 165.8 | 0 | 0 | 0 | 114.4 | Q1950 L1951 L1958 | Q1950-L1954 VanDerWaalsContact C-N 3.29Å; Q1950-L1954 WeakPolarHBondContact O-CA 2.94Å; Q1950-L1954 WeakPolarHBondContact O-CB 3.15Å; Q1950-L1954 WeakPolarHBondContact O-CD1 3.48Å; Q1950-L1954 WeakPolarHBondContact O-CG 2.99Å; Q1950-L1954 PolarHBondContact O-N 2.64Å; L1951-L1954 CarbonylContact O-C 3.51Å; L1951-L1954 PolarHBondContact O-N 3.26Å; L1954-L1958 WeakPolarHBondContact O-CB 3.16Å |
| 1955 | Q | 62.6 | Low | 59.9 | Low | 18 Ų | 18 | 51.9 Ų | 51.9 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 167.7 | -0.8 | -167.8 | -154 | -130.9 | -74.5 | 0 | 0 | 112.1 | K726 L1951 K1953 L1958 N1959 | K726-Q1955 PolarHBondContact O-NE2 3.35Å; L1951-Q1955 HydrophobicContact CB-CB 4.09Å; L1951-Q1955 CarbonylContact O-C 3.45Å; L1951-Q1955 WeakPolarHBondContact O-CA 3.42Å; L1951-Q1955 WeakPolarHBondContact O-CB 3.25Å; L1951-Q1955 PolarHBondContact O-N 3.46Å; K1953-Q1955 PolarHBondContact O-N 2.86Å; Q1955-L1958 VanDerWaalsContact CA-CB 3.47Å; Q1955-L1958 VanDerWaalsContact CA-N 3.27Å; Q1955-L1958 HydrophobicContact CB-CB 4.3Å; Q1955-L1958 VanDerWaalsContact N-CB 3.34Å; Q1955-N1959 WeakPolarHBondContact CG-OD1 3.44Å; Q1955-N1959 PolarHBondContact NE2-ND2 2.73Å; Q1955-N1959 WeakPolarHBondContact O-CB 3.05Å; Q1955-N1959 VanDerWaalsContact O-CG 3.25Å; Q1955-N1959 PolarHBondContact O-N 3.36Å; Q1955-N1959 VanDerWaalsContact O-N 3.1Å |
| 1956 | I | 62.5 | Low | 59.9 | Low | 62 Ų | 62 | 49.9 Ų | 49.9 | 32% | 0.318 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -59.5 | 138.4 | -76.9 | 179.5 | 0 | 0 | 0 | 105.8 | L1951 E1952 K1953 L1958 N1959 E1960 | L1951-I1956 PolarHBondContact O-N 2.74Å; E1952-I1956 HydrophobicContact CB-CD1 4.09Å; E1952-I1956 HydrophobicContact CB-CG1 4.33Å; E1952-I1956 HydrophobicContact CG-CD1 4.45Å; E1952-I1956 VanDerWaalsContact O-CB 3.29Å; E1952-I1956 WeakPolarHBondContact O-CB 3.45Å; E1952-I1956 WeakPolarHBondContact O-CD1 3.21Å; E1952-I1956 WeakPolarHBondContact O-CG1 3.18Å; K1953-I1956 CarbonylContact O-C 3.24Å; K1953-I1956 PolarHBondContact O-N 3.36Å; I1956-L1958 PolarHBondContact O-N 2.69Å; I1956-N1959 CarbonylContact O-C 3.41Å; I1956-N1959 PolarHBondContact O-N 2.88Å; I1956-E1960 HydrophobicContact CG2-CG 4.15Å; I1956-E1960 WeakPolarHBondContact CG2-OE1 3.4Å; I1956-E1960 WeakPolarHBondContact CG2-OE2 3.32Å; I1956-E1960 VanDerWaalsContact O-CA 3.25Å; I1956-E1960 WeakPolarHBondContact O-CA 3.43Å; I1956-E1960 WeakPolarHBondContact O-CB 3.47Å; I1956-E1960 WeakPolarHBondContact O-CG 3.35Å; I1956-E1960 PolarHBondContact O-N 3.29Å |
| 1957 | Q | 58 | Low | 60.6 | Low | 27 Ų | 27 | 51.5 Ų | 51.5 | 13% | 0.126 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -27.1 | 157.5 | -48.8 | 167.6 | 13.7 | 0 | 0 | 115.4 | L1458 D1459 K1953 E1961 P2472 | L1458-Q1957 VanDerWaalsContact CG-NE2 3.33Å; D1459-Q1957 PolarHBondContact OD2-NE2 2.72Å; K1953-Q1957 VanDerWaalsContact O-CA 3.23Å; K1953-Q1957 WeakPolarHBondContact O-CA 2.86Å; K1953-Q1957 WeakPolarHBondContact O-CB 2.89Å; K1953-Q1957 WeakPolarHBondContact O-CG 2.89Å; K1953-Q1957 PolarHBondContact O-N 3.47Å; Q1957-E1961 WeakPolarHBondContact O-CA 3.26Å; Q1957-E1961 WeakPolarHBondContact O-CB 3.36Å; Q1957-E1961 WeakPolarHBondContact O-CG 3.34Å; Q1957-E1961 PolarHBondContact O-N 2.85Å; Q1957-P2472 WeakPolarHBondContact CA-O 3.43Å |
| 1958 | L | 66.5 | Low | 60.7 | Low | 71 Ų | 71 | 55.2 Ų | 55.2 | 37% | 0.372 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -23.8 | 169.9 | -174 | 69.7 | 0 | 0 | 0 | 114.8 | L1954 Q1955 I1956 E1960 E1961 K1962 | L1954-L1958 WeakPolarHBondContact O-CB 3.16Å; Q1955-L1958 VanDerWaalsContact CA-CB 3.47Å; Q1955-L1958 VanDerWaalsContact CA-N 3.27Å; Q1955-L1958 HydrophobicContact CB-CB 4.3Å; Q1955-L1958 VanDerWaalsContact N-CB 3.34Å; I1956-L1958 PolarHBondContact O-N 2.69Å; L1958-E1960 VanDerWaalsContact C-N 3.29Å; L1958-E1961 HydrophobicContact CD1-CB 4.21Å; L1958-E1961 WeakPolarHBondContact CD1-OE2 3.25Å; L1958-K1962 WeakPolarHBondContact O-CB 3.4Å; L1958-K1962 WeakPolarHBondContact O-CG 3.17Å; L1958-K1962 PolarHBondContact O-N 3.32Å |
| 1959 | N | 62.6 | Low | 60.5 | Low | 25 Ų | 25 | 56.7 Ų | 56.7 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11.8 | 168.1 | -77.5 | -5.3 | 0 | 0 | 0 | 112 | P724 K726 Q1955 I1956 K1962 E1963 | P724-N1959 PolarHBondContact O-ND2 3.5Å; K726-N1959 PolarHBondContact O-ND2 3.27Å; Q1955-N1959 WeakPolarHBondContact CG-OD1 3.44Å; Q1955-N1959 PolarHBondContact NE2-ND2 2.73Å; Q1955-N1959 WeakPolarHBondContact O-CB 3.05Å; Q1955-N1959 VanDerWaalsContact O-CG 3.25Å; Q1955-N1959 PolarHBondContact O-N 3.36Å; Q1955-N1959 VanDerWaalsContact O-N 3.1Å; I1956-N1959 CarbonylContact O-C 3.41Å; I1956-N1959 PolarHBondContact O-N 2.88Å; N1959-K1962 VanDerWaalsContact C-N 3.31Å; N1959-K1962 CarbonylContact O-C 3.15Å; N1959-K1962 VanDerWaalsContact O-C 3.25Å; N1959-K1962 WeakPolarHBondContact O-CA 3.49Å; N1959-K1962 WeakPolarHBondContact O-CB 3.35Å; N1959-K1962 PolarHBondContact O-N 3.35Å; N1959-K1962 WeakPolarHBondContact OD1-CD 3.27Å; N1959-K1962 PolarHBondContact OD1-NZ 3.17Å; N1959-E1963 WeakPolarHBondContact O-CG 3.26Å; N1959-E1963 PolarHBondContact O-N 3.43Å |
| 1960 | E | 62.5 | Low | 60.9 | Low | 29 Ų | 29 | 56.1 Ų | 56.1 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -18.4 | 173.3 | -49.1 | 173.9 | 151.4 | 0 | 0 | 110 | I1956 L1958 E1963 E1964 P2472 N2474 | I1956-E1960 HydrophobicContact CG2-CG 4.15Å; I1956-E1960 WeakPolarHBondContact CG2-OE1 3.4Å; I1956-E1960 WeakPolarHBondContact CG2-OE2 3.32Å; I1956-E1960 VanDerWaalsContact O-CA 3.25Å; I1956-E1960 WeakPolarHBondContact O-CA 3.43Å; I1956-E1960 WeakPolarHBondContact O-CB 3.47Å; I1956-E1960 WeakPolarHBondContact O-CG 3.35Å; I1956-E1960 PolarHBondContact O-N 3.29Å; L1958-E1960 VanDerWaalsContact C-N 3.29Å; E1960-E1963 CarbonylContact O-C 3.56Å; E1960-E1963 PolarHBondContact O-N 2.88Å; E1960-E1964 WeakPolarHBondContact O-CA 3.21Å; E1960-E1964 WeakPolarHBondContact O-CB 3.42Å; E1960-E1964 PolarHBondContact O-N 3.34Å; E1960-P2472 HydrophobicContact CB-CB 3.6Å; E1960-P2472 HydrophobicContact CB-CG 3.62Å; E1960-P2472 HydrophobicContact CG-CB 4.38Å; E1960-P2472 WeakPolarHBondContact O-CD 3.44Å; E1960-P2472 WeakPolarHBondContact O-CG 3.43Å; E1960-P2472 WeakPolarHBondContact OE2-CB 3.43Å; E1960-N2474 VanDerWaalsContact CD-CB 3.49Å; E1960-N2474 HydrophobicContact CG-CB 4.36Å; E1960-N2474 WeakPolarHBondContact OE1-CB 3.1Å; E1960-N2474 PolarHBondContact OE2-N 2.72Å |
| 1961 | E | 61.4 | Low | 61.4 | Low | 53 Ų | 53 | 55.5 Ų | 55.5 | 25% | 0.248 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -18.9 | 143.6 | -82.2 | 177.9 | 129.9 | 0 | 0 | 108.8 | Q1957 L1958 E1964 L1965 | Q1957-E1961 WeakPolarHBondContact O-CA 3.26Å; Q1957-E1961 WeakPolarHBondContact O-CB 3.36Å; Q1957-E1961 WeakPolarHBondContact O-CG 3.34Å; Q1957-E1961 PolarHBondContact O-N 2.85Å; L1958-E1961 HydrophobicContact CD1-CB 4.21Å; L1958-E1961 WeakPolarHBondContact CD1-OE2 3.25Å; E1961-E1964 CarbonylContact O-C 3.45Å; E1961-L1965 VanDerWaalsContact O-CA 3.24Å; E1961-L1965 WeakPolarHBondContact O-CA 3.04Å; E1961-L1965 WeakPolarHBondContact O-CB 3.29Å; E1961-L1965 VanDerWaalsContact O-CD1 3.25Å; E1961-L1965 WeakPolarHBondContact O-CD1 2.91Å; E1961-L1965 WeakPolarHBondContact O-CG 3.25Å; E1961-L1965 PolarHBondContact O-N 3.48Å |
| 1962 | K | 63.8 | Low | 61.3 | Low | 32 Ų | 32 | 59.1 Ų | 59.1 | 14% | 0.139 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -25 | 165.9 | -69.7 | 166.4 | -162.1 | 164.7 | 0 | 113.9 | L1958 N1959 L1965 R1966 | L1958-K1962 WeakPolarHBondContact O-CB 3.4Å; L1958-K1962 WeakPolarHBondContact O-CG 3.17Å; L1958-K1962 PolarHBondContact O-N 3.32Å; N1959-K1962 VanDerWaalsContact C-N 3.31Å; N1959-K1962 CarbonylContact O-C 3.15Å; N1959-K1962 VanDerWaalsContact O-C 3.25Å; N1959-K1962 WeakPolarHBondContact O-CA 3.49Å; N1959-K1962 WeakPolarHBondContact O-CB 3.35Å; N1959-K1962 PolarHBondContact O-N 3.35Å; N1959-K1962 WeakPolarHBondContact OD1-CD 3.27Å; N1959-K1962 PolarHBondContact OD1-NZ 3.17Å; K1962-L1965 CarbonylContact O-C 3.52Å; K1962-L1965 PolarHBondContact O-N 2.7Å; K1962-R1966 WeakPolarHBondContact O-CA 3.06Å; K1962-R1966 WeakPolarHBondContact O-CB 3.25Å; K1962-R1966 WeakPolarHBondContact O-CG 3.1Å; K1962-R1966 PolarHBondContact O-N 3.19Å |
| 1963 | E | 58.2 | Low | 61.5 | Low | 71 Ų | 71 | 56.8 Ų | 56.8 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -93.1 | -14.8 | 170.2 | -65.9 | -66.2 | -165.2 | 0 | 0 | 112.7 | N1959 E1960 R1966 E1967 | N1959-E1963 WeakPolarHBondContact O-CG 3.26Å; N1959-E1963 PolarHBondContact O-N 3.43Å; E1960-E1963 CarbonylContact O-C 3.56Å; E1960-E1963 PolarHBondContact O-N 2.88Å; E1963-R1966 IonicContact OE1-CZ 3.58Å; E1963-R1966 IonicContact OE1-NE 3.42Å; E1963-R1966 IonicContact OE1-NH2 2.64Å; E1963-R1966 PolarHBondContact OE1-NH2 3.29Å; E1963-R1966 VanDerWaalsContact OE2-CB 3.29Å; E1963-R1966 WeakPolarHBondContact OE2-CB 3.18Å; E1963-R1966 IonicContact OE2-CZ 2.68Å; E1963-R1966 IonicContact OE2-NE 3.19Å; E1963-R1966 PolarHBondContact OE2-NE 3Å; E1963-R1966 IonicContact OE2-NH2 2.64Å; E1963-R1966 PolarHBondContact OE2-NH2 3.47Å; E1963-E1967 VanDerWaalsContact O-CA 3.32Å; E1963-E1967 WeakPolarHBondContact O-CA 3.32Å; E1963-E1967 WeakPolarHBondContact O-CB 3.47Å; E1963-E1967 WeakPolarHBondContact O-CG 3.37Å; E1963-E1967 PolarHBondContact O-N 3.12Å |
| 1964 | E | 59.3 | Low | 61.6 | Low | 56 Ų | 56 | 60.2 Ų | 60.2 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -87.5 | -16.9 | 152.7 | -81.2 | -176.6 | 170.8 | 0 | 0 | 110.7 | E1960 E1961 R1968 P2472 | E1960-E1964 WeakPolarHBondContact O-CA 3.21Å; E1960-E1964 WeakPolarHBondContact O-CB 3.42Å; E1960-E1964 PolarHBondContact O-N 3.34Å; E1961-E1964 CarbonylContact O-C 3.45Å; E1964-R1968 VanDerWaalsContact CB-NH1 3.27Å; E1964-R1968 VanDerWaalsContact O-CA 3.27Å; E1964-R1968 WeakPolarHBondContact O-CA 3.4Å; E1964-R1968 WeakPolarHBondContact O-CB 3.42Å; E1964-R1968 WeakPolarHBondContact O-CD 3.19Å; E1964-R1968 WeakPolarHBondContact O-CG 3.49Å; E1964-R1968 PolarHBondContact O-N 2.84Å; E1964-R1968 IonicContact OE2-CZ 2.61Å; E1964-R1968 IonicContact OE2-NH1 3.11Å; E1964-R1968 PolarHBondContact OE2-NH1 3.33Å; E1964-R1968 VanDerWaalsContact OE2-NH1 3.11Å; E1964-R1968 IonicContact OE2-NH2 3.94Å; E1964-R1968 PolarHBondContact OE2-NH2 3.03Å; E1964-P2472 HydrophobicContact CB-CG 4.34Å; E1964-P2472 VanDerWaalsContact CD-CG 3.47Å; E1964-P2472 HydrophobicContact CG-CG 3.43Å; E1964-P2472 VanDerWaalsContact CG-CG 3.43Å |
| 1965 | L | 66.8 | Low | 62 | Low | 97 Ų | 97 | 60.7 Ų | 60.7 | 51% | 0.508 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -82.3 | -27.2 | 164.9 | -80.8 | 161.4 | 0 | 0 | 0 | 110.2 | E1961 K1962 R1968 E1969 | E1961-L1965 VanDerWaalsContact O-CA 3.24Å; E1961-L1965 WeakPolarHBondContact O-CA 3.04Å; E1961-L1965 WeakPolarHBondContact O-CB 3.29Å; E1961-L1965 VanDerWaalsContact O-CD1 3.25Å; E1961-L1965 WeakPolarHBondContact O-CD1 2.91Å; E1961-L1965 WeakPolarHBondContact O-CG 3.25Å; E1961-L1965 PolarHBondContact O-N 3.48Å; K1962-L1965 CarbonylContact O-C 3.52Å; K1962-L1965 PolarHBondContact O-N 2.7Å; L1965-R1968 CarbonylContact O-C 2.96Å; L1965-E1969 WeakPolarHBondContact O-CA 3.21Å; L1965-E1969 WeakPolarHBondContact O-CB 3.43Å; L1965-E1969 PolarHBondContact O-N 2.9Å |
| 1966 | R | 55.8 | Low | 62.2 | Low | 44 Ų | 44 | 62 Ų | 62 | 17% | 0.166 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -92.4 | -15.3 | 172.3 | -73.2 | -169.8 | -58.5 | -127.8 | 9.6 | 114.7 | D722 K1962 E1963 E1969 V1970 | D722-R1966 PolarHBondContact O-NH1 3.38Å; D722-R1966 PolarHBondContact O-NH2 3.33Å; K1962-R1966 WeakPolarHBondContact O-CA 3.06Å; K1962-R1966 WeakPolarHBondContact O-CB 3.25Å; K1962-R1966 WeakPolarHBondContact O-CG 3.1Å; K1962-R1966 PolarHBondContact O-N 3.19Å; E1963-R1966 IonicContact OE1-CZ 3.58Å; E1963-R1966 IonicContact OE1-NE 3.42Å; E1963-R1966 IonicContact OE1-NH2 2.64Å; E1963-R1966 PolarHBondContact OE1-NH2 3.29Å; E1963-R1966 VanDerWaalsContact OE2-CB 3.29Å; E1963-R1966 WeakPolarHBondContact OE2-CB 3.18Å; E1963-R1966 IonicContact OE2-CZ 2.68Å; E1963-R1966 IonicContact OE2-NE 3.19Å; E1963-R1966 PolarHBondContact OE2-NE 3Å; E1963-R1966 IonicContact OE2-NH2 2.64Å; E1963-R1966 PolarHBondContact OE2-NH2 3.47Å; R1966-E1969 HydrophobicContact CB-CB 4.46Å; R1966-E1969 CarbonylContact O-C 3.45Å; R1966-E1969 PolarHBondContact O-N 3.31Å; R1966-V1970 WeakPolarHBondContact O-CA 3.5Å; R1966-V1970 WeakPolarHBondContact O-CB 2.94Å; R1966-V1970 VanDerWaalsContact O-CG2 3.25Å; R1966-V1970 WeakPolarHBondContact O-CG2 3.24Å; R1966-V1970 PolarHBondContact O-N 3.05Å |
| 1967 | E | 65.1 | Low | 61.9 | Low | 105 Ų | 105 | 59.6 Ų | 59.6 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -1.3 | 153.9 | -67.8 | -144.8 | 109.5 | 0 | 0 | 112.1 | E1963 E1969 V1970 A1971 R1974 | E1963-E1967 VanDerWaalsContact O-CA 3.32Å; E1963-E1967 WeakPolarHBondContact O-CA 3.32Å; E1963-E1967 WeakPolarHBondContact O-CB 3.47Å; E1963-E1967 WeakPolarHBondContact O-CG 3.37Å; E1963-E1967 PolarHBondContact O-N 3.12Å; E1967-E1969 VanDerWaalsContact C-N 3.31Å; E1967-V1970 HydrophobicContact CG-CB 4.46Å; E1967-A1971 WeakPolarHBondContact O-CA 3.01Å; E1967-A1971 WeakPolarHBondContact O-CB 2.82Å; E1967-A1971 PolarHBondContact O-N 3.28Å; E1967-R1974 IonicContact OE1-CZ 2.74Å; E1967-R1974 IonicContact OE1-NH1 2.67Å; E1967-R1974 PolarHBondContact OE1-NH1 3.37Å; E1967-R1974 IonicContact OE1-NH2 2.69Å |
| 1968 | R | 62.7 | Low | 62.2 | Low | 122 Ų | 122 | 61.4 Ų | 61.4 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 15.4 | 144.3 | -60.4 | 155.5 | -170.1 | 123 | 4.6 | 110.7 | E1964 L1965 K1972 | E1964-R1968 VanDerWaalsContact CB-NH1 3.27Å; E1964-R1968 VanDerWaalsContact O-CA 3.27Å; E1964-R1968 WeakPolarHBondContact O-CA 3.4Å; E1964-R1968 WeakPolarHBondContact O-CB 3.42Å; E1964-R1968 WeakPolarHBondContact O-CD 3.19Å; E1964-R1968 WeakPolarHBondContact O-CG 3.49Å; E1964-R1968 PolarHBondContact O-N 2.84Å; E1964-R1968 IonicContact OE2-CZ 2.61Å; E1964-R1968 IonicContact OE2-NH1 3.11Å; E1964-R1968 PolarHBondContact OE2-NH1 3.33Å; E1964-R1968 VanDerWaalsContact OE2-NH1 3.11Å; E1964-R1968 IonicContact OE2-NH2 3.94Å; E1964-R1968 PolarHBondContact OE2-NH2 3.03Å; L1965-R1968 CarbonylContact O-C 2.96Å; R1968-K1972 VanDerWaalsContact C-N 3.34Å; R1968-K1972 WeakPolarHBondContact O-CB 2.88Å; R1968-K1972 PolarHBondContact O-N 3.11Å |
| 1969 | E | 59.4 | Low | 61.7 | Low | 53 Ų | 53 | 65 Ų | 65 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -51.4 | 164 | -142.5 | 145.5 | -132.4 | 0 | 0 | 106 | H783 L784 L1965 R1966 E1967 A1971 K1972 I1973 | H783-E1969 VanDerWaalsContact C-OE1 3.29Å; L784-E1969 PolarHBondContact N-OE1 2.86Å; L1965-E1969 WeakPolarHBondContact O-CA 3.21Å; L1965-E1969 WeakPolarHBondContact O-CB 3.43Å; L1965-E1969 PolarHBondContact O-N 2.9Å; R1966-E1969 HydrophobicContact CB-CB 4.46Å; R1966-E1969 CarbonylContact O-C 3.45Å; R1966-E1969 PolarHBondContact O-N 3.31Å; E1967-E1969 VanDerWaalsContact C-N 3.31Å; E1969-A1971 VanDerWaalsContact C-N 3.33Å; E1969-A1971 PolarHBondContact O-N 2.86Å; E1969-K1972 CarbonylContact O-C 2.69Å; E1969-K1972 VanDerWaalsContact O-CA 3.31Å; E1969-K1972 WeakPolarHBondContact O-CA 3.33Å; E1969-K1972 PolarHBondContact O-N 3.04Å; E1969-I1973 VanDerWaalsContact O-CG1 3.25Å; E1969-I1973 WeakPolarHBondContact O-CG1 3.11Å; E1969-I1973 PolarHBondContact O-N 3.36Å |
| 1970 | V | 62.9 | Low | 61.3 | Low | 55 Ų | 55 | 64.6 Ų | 64.6 | 33% | 0.333 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -20.6 | 166.2 | 176.1 | 0 | 0 | 0 | 0 | 113.4 | R1966 E1967 I1973 R1974 | R1966-V1970 WeakPolarHBondContact O-CA 3.5Å; R1966-V1970 WeakPolarHBondContact O-CB 2.94Å; R1966-V1970 VanDerWaalsContact O-CG2 3.25Å; R1966-V1970 WeakPolarHBondContact O-CG2 3.24Å; R1966-V1970 PolarHBondContact O-N 3.05Å; E1967-V1970 HydrophobicContact CG-CB 4.46Å; V1970-I1973 HydrophobicContact CG2-CD1 4.42Å; V1970-I1973 WeakPolarHBondContact O-CB 3.23Å; V1970-R1974 WeakPolarHBondContact O-CB 3.33Å; V1970-R1974 WeakPolarHBondContact O-CG 3.34Å; V1970-R1974 PolarHBondContact O-N 2.79Å |
| 1971 | A | 67.1 | Low | 61.2 | Low | 33 Ų | 33 | 63.7 Ų | 63.7 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 29.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1967 E1969 R1974 K1975 | E1967-A1971 WeakPolarHBondContact O-CA 3.01Å; E1967-A1971 WeakPolarHBondContact O-CB 2.82Å; E1967-A1971 PolarHBondContact O-N 3.28Å; E1969-A1971 VanDerWaalsContact C-N 3.33Å; E1969-A1971 PolarHBondContact O-N 2.86Å; A1971-R1974 HydrophobicContact CB-CB 3.76Å; A1971-K1975 VanDerWaalsContact C-N 3.35Å; A1971-K1975 WeakPolarHBondContact O-CB 3.34Å; A1971-K1975 WeakPolarHBondContact O-CG 3.37Å; A1971-K1975 PolarHBondContact O-N 3.44Å |
| 1972 | K | 59.6 | Low | 60.8 | Low | 81 Ų | 81 | 63.7 Ų | 63.7 | 35% | 0.352 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 5.6 | 134.2 | 176.5 | -177.9 | 167.6 | -171.1 | 0 | 110.9 | H783 R1968 E1969 K1975 N1976 | H783-K1972 PolarHBondContact O-NZ 2.79Å; R1968-K1972 VanDerWaalsContact C-N 3.34Å; R1968-K1972 WeakPolarHBondContact O-CB 2.88Å; R1968-K1972 PolarHBondContact O-N 3.11Å; E1969-K1972 CarbonylContact O-C 2.69Å; E1969-K1972 VanDerWaalsContact O-CA 3.31Å; E1969-K1972 WeakPolarHBondContact O-CA 3.33Å; E1969-K1972 PolarHBondContact O-N 3.04Å; K1972-K1975 VanDerWaalsContact C-C 3.45Å; K1972-K1975 CarbonylContact O-C 3.45Å; K1972-N1976 VanDerWaalsContact C-N 3.31Å; K1972-N1976 WeakPolarHBondContact O-CA 3.38Å; K1972-N1976 WeakPolarHBondContact O-CB 3.38Å; K1972-N1976 VanDerWaalsContact O-CG 3.31Å; K1972-N1976 PolarHBondContact O-N 3.07Å; K1972-N1976 PolarHBondContact O-ND2 3.15Å |
| 1973 | I | 59.8 | Low | 60.7 | Low | 47 Ų | 47 | 63.8 Ų | 63.8 | 24% | 0.241 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -60.6 | 159.6 | -71.3 | 172.2 | 0 | 0 | 0 | 105.7 | Y779 T780 E1969 V1970 K1975 N1976 T1977 | Y779-I1973 VanDerWaalsContact O-CG2 3.28Å; Y779-I1973 WeakPolarHBondContact O-CG2 3.13Å; T780-I1973 WeakPolarHBondContact O-CD1 3.29Å; T780-I1973 WeakPolarHBondContact O-CG1 2.95Å; T780-I1973 WeakPolarHBondContact OG1-CA 3.27Å; E1969-I1973 VanDerWaalsContact O-CG1 3.25Å; E1969-I1973 WeakPolarHBondContact O-CG1 3.11Å; E1969-I1973 PolarHBondContact O-N 3.36Å; V1970-I1973 HydrophobicContact CG2-CD1 4.42Å; V1970-I1973 WeakPolarHBondContact O-CB 3.23Å; I1973-K1975 PolarHBondContact O-N 2.77Å; I1973-N1976 CarbonylContact O-C 3.52Å; I1973-N1976 PolarHBondContact O-N 3.35Å; I1973-T1977 WeakPolarHBondContact O-CA 3.05Å; I1973-T1977 WeakPolarHBondContact O-CB 3.06Å; I1973-T1977 PolarHBondContact O-N 2.71Å; I1973-T1977 PolarHBondContact O-OG1 3.43Å |
| 1974 | R | 60.2 | Low | 60.5 | Low | 110 Ų | 110 | 63 Ų | 63 | 42% | 0.415 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -2.7 | 162 | -51.1 | 170.6 | -164.7 | 138.4 | 7.3 | 113.1 | E1967 V1970 A1971 T1977 E1978 E2201 | E1967-R1974 IonicContact OE1-CZ 2.74Å; E1967-R1974 IonicContact OE1-NH1 2.67Å; E1967-R1974 PolarHBondContact OE1-NH1 3.37Å; E1967-R1974 IonicContact OE1-NH2 2.69Å; V1970-R1974 WeakPolarHBondContact O-CB 3.33Å; V1970-R1974 WeakPolarHBondContact O-CG 3.34Å; V1970-R1974 PolarHBondContact O-N 2.79Å; A1971-R1974 HydrophobicContact CB-CB 3.76Å; R1974-T1977 WeakPolarHBondContact CA-OG1 3.36Å; R1974-E1978 WeakPolarHBondContact O-CA 3.03Å; R1974-E1978 WeakPolarHBondContact O-CB 3.4Å; R1974-E1978 VanDerWaalsContact O-CG 3.28Å; R1974-E1978 WeakPolarHBondContact O-CG 3.46Å; R1974-E1978 PolarHBondContact O-N 2.8Å; R1974-E1978 VanDerWaalsContact O-N 3.14Å; R1974-E2201 WeakPolarHBondContact CA-OE1 3.12Å; R1974-E2201 WeakPolarHBondContact CB-OE1 3.33Å; R1974-E2201 WeakPolarHBondContact CG-OE1 2.84Å |
| 1975 | K | 65.1 | Low | 60.4 | Low | 84 Ų | 84 | 62.6 Ų | 62.6 | 37% | 0.365 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | 41.3 | 156.5 | -58 | -78.2 | 171.5 | -163.2 | 0 | 113.3 | A1971 K1972 I1973 E1978 Y1979 | A1971-K1975 VanDerWaalsContact C-N 3.35Å; A1971-K1975 WeakPolarHBondContact O-CB 3.34Å; A1971-K1975 WeakPolarHBondContact O-CG 3.37Å; A1971-K1975 PolarHBondContact O-N 3.44Å; K1972-K1975 VanDerWaalsContact C-C 3.45Å; K1972-K1975 CarbonylContact O-C 3.45Å; I1973-K1975 PolarHBondContact O-N 2.77Å; K1975-E1978 HydrophobicContact CD-CB 3.83Å; K1975-E1978 WeakPolarHBondContact CE-OE2 3.34Å; K1975-E1978 VanDerWaalsContact NZ-CB 3.31Å; K1975-E1978 IonicContact NZ-OE2 2.78Å; K1975-E1978 PolarHBondContact NZ-OE2 3.34Å; K1975-Y1979 VanDerWaalsContact O-CB 3.23Å; K1975-Y1979 WeakPolarHBondContact O-CB 3.4Å |
| 1976 | N | 67.1 | Low | 59.9 | Low | 44 Ų | 44 | 60.4 Ų | 60.4 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -51.2 | 141.7 | -102 | -68.7 | 0 | 0 | 0 | 105.1 | T780 K1972 I1973 Y1979 E1980 | T780-N1976 HydrophobicContact CG2-CB 3.45Å; T780-N1976 VanDerWaalsContact CG2-CB 3.45Å; T780-N1976 WeakPolarHBondContact OG1-CB 3.45Å; K1972-N1976 VanDerWaalsContact C-N 3.31Å; K1972-N1976 WeakPolarHBondContact O-CA 3.38Å; K1972-N1976 WeakPolarHBondContact O-CB 3.38Å; K1972-N1976 VanDerWaalsContact O-CG 3.31Å; K1972-N1976 PolarHBondContact O-N 3.07Å; K1972-N1976 PolarHBondContact O-ND2 3.15Å; I1973-N1976 CarbonylContact O-C 3.52Å; I1973-N1976 PolarHBondContact O-N 3.35Å; N1976-Y1979 CarbonylContact O-C 2.93Å; N1976-Y1979 WeakPolarHBondContact O-CA 3.14Å; N1976-Y1979 WeakPolarHBondContact O-CB 3.11Å; N1976-Y1979 PolarHBondContact O-N 3.33Å; N1976-Y1979 VanDerWaalsContact O-N 3.1Å; N1976-E1980 WeakPolarHBondContact O-CB 3.04Å; N1976-E1980 WeakPolarHBondContact O-CG 3.12Å; N1976-E1980 PolarHBondContact O-N 2.77Å |
| 1977 | T | 57.1 | Low | 59.9 | Low | 13 Ų | 13 | 61.3 Ų | 61.3 | 8% | 0.08 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -53.3 | -66.2 | 162.5 | 67.1 | 0 | 0 | 0 | 0 | 111.3 | I1973 R1974 Y1979 E1980 N1981 E2201 | I1973-T1977 WeakPolarHBondContact O-CA 3.05Å; I1973-T1977 WeakPolarHBondContact O-CB 3.06Å; I1973-T1977 PolarHBondContact O-N 2.71Å; I1973-T1977 PolarHBondContact O-OG1 3.43Å; R1974-T1977 WeakPolarHBondContact CA-OG1 3.36Å; T1977-Y1979 PolarHBondContact O-N 2.68Å; T1977-E1980 CarbonylContact O-C 3.49Å; T1977-E1980 VanDerWaalsContact O-C 3.24Å; T1977-E1980 WeakPolarHBondContact O-CA 3.23Å; T1977-E1980 WeakPolarHBondContact O-CB 3.43Å; T1977-E1980 PolarHBondContact O-N 2.6Å; T1977-N1981 PolarHBondContact O-N 3.27Å; T1977-N1981 PolarHBondContact O-OD1 2.96Å; T1977-E2201 HydrophobicContact CG2-CB 4.1Å; T1977-E2201 VanDerWaalsContact OG1-CG 3.29Å; T1977-E2201 WeakPolarHBondContact OG1-CG 3.43Å; T1977-E2201 PolarHBondContact OG1-OE1 2.96Å |
| 1978 | E | 62.3 | Low | 59.4 | Low | 64 Ų | 64 | 62.5 Ų | 62.5 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.6 | 4.5 | 174.8 | -48.8 | -170.4 | 163 | 0 | 0 | 115.7 | R1974 K1975 N1981 V1982 E2201 | R1974-E1978 WeakPolarHBondContact O-CA 3.03Å; R1974-E1978 WeakPolarHBondContact O-CB 3.4Å; R1974-E1978 VanDerWaalsContact O-CG 3.28Å; R1974-E1978 WeakPolarHBondContact O-CG 3.46Å; R1974-E1978 PolarHBondContact O-N 2.8Å; R1974-E1978 VanDerWaalsContact O-N 3.14Å; K1975-E1978 HydrophobicContact CD-CB 3.83Å; K1975-E1978 WeakPolarHBondContact CE-OE2 3.34Å; K1975-E1978 VanDerWaalsContact NZ-CB 3.31Å; K1975-E1978 IonicContact NZ-OE2 2.78Å; K1975-E1978 PolarHBondContact NZ-OE2 3.34Å; E1978-N1981 VanDerWaalsContact CA-OD1 3.22Å; E1978-N1981 WeakPolarHBondContact CA-OD1 3.03Å; E1978-N1981 HydrophobicContact CB-CB 3.86Å; E1978-N1981 HydrophobicContact CG-CB 4.14Å; E1978-N1981 PolarHBondContact N-OD1 2.77Å; E1978-V1982 WeakPolarHBondContact O-CA 3.18Å; E1978-V1982 WeakPolarHBondContact O-CB 2.99Å; E1978-V1982 VanDerWaalsContact O-CG2 3.27Å; E1978-V1982 WeakPolarHBondContact O-CG2 3.14Å; E1978-V1982 PolarHBondContact O-N 2.93Å; E1978-E2201 HydrophobicContact CG-CG 3.99Å |
| 1979 | Y | 56.6 | Low | 58.5 | Low | 148 Ų | 148 | 60.8 Ų | 60.8 | 58% | 0.58 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -90.6 | -14.9 | 160.3 | -164.4 | -85 | 0 | 0 | 0 | 111.3 | K1975 N1976 T1977 V1982 R1983 | K1975-Y1979 VanDerWaalsContact O-CB 3.23Å; K1975-Y1979 WeakPolarHBondContact O-CB 3.4Å; N1976-Y1979 CarbonylContact O-C 2.93Å; N1976-Y1979 WeakPolarHBondContact O-CA 3.14Å; N1976-Y1979 WeakPolarHBondContact O-CB 3.11Å; N1976-Y1979 PolarHBondContact O-N 3.33Å; N1976-Y1979 VanDerWaalsContact O-N 3.1Å; T1977-Y1979 PolarHBondContact O-N 2.68Å; Y1979-V1982 CarbonylContact O-C 3.57Å; Y1979-V1982 VanDerWaalsContact O-C 3.25Å; Y1979-R1983 WeakPolarHBondContact O-CB 3.24Å; Y1979-R1983 PolarHBondContact O-N 3.4Å |
| 1980 | E | 54.7 | Low | 58.2 | Low | 15 Ų | 15 | 63.4 Ų | 63.4 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -88.1 | -30.8 | 160.7 | -46.7 | -119.5 | 151.1 | 0 | 0 | 112.1 | N1976 T1977 R1983 K1984 E2204 S2205 S2208 Q2209 | N1976-E1980 WeakPolarHBondContact O-CB 3.04Å; N1976-E1980 WeakPolarHBondContact O-CG 3.12Å; N1976-E1980 PolarHBondContact O-N 2.77Å; T1977-E1980 CarbonylContact O-C 3.49Å; T1977-E1980 VanDerWaalsContact O-C 3.24Å; T1977-E1980 WeakPolarHBondContact O-CA 3.23Å; T1977-E1980 WeakPolarHBondContact O-CB 3.43Å; T1977-E1980 PolarHBondContact O-N 2.6Å; E1980-R1983 CarbonylContact O-C 3.45Å; E1980-R1983 VanDerWaalsContact O-CA 3.28Å; E1980-R1983 WeakPolarHBondContact O-CA 2.78Å; E1980-R1983 WeakPolarHBondContact O-CB 3.38Å; E1980-R1983 PolarHBondContact O-N 3.43Å; E1980-K1984 PolarHBondContact O-N 2.66Å; E1980-E2204 VanDerWaalsContact CB-C 3.45Å; E1980-E2204 WeakPolarHBondContact CB-O 3.12Å; E1980-S2205 VanDerWaalsContact CB-CA 3.47Å; E1980-S2205 WeakPolarHBondContact OE2-CA 3.44Å; E1980-S2208 VanDerWaalsContact CD-CA 3.46Å; E1980-S2208 WeakPolarHBondContact OE1-CB 3.15Å; E1980-S2208 PolarHBondContact OE1-OG 3.28Å; E1980-S2208 VanDerWaalsContact OE2-C 3.29Å; E1980-S2208 WeakPolarHBondContact OE2-CA 3.43Å; E1980-S2208 VanDerWaalsContact OE2-CB 3.22Å; E1980-S2208 WeakPolarHBondContact OE2-CB 3.11Å; E1980-S2208 PolarHBondContact OE2-N 2.92Å; E1980-Q2209 PolarHBondContact OE1-N 2.72Å; E1980-Q2209 PolarHBondContact OE2-N 2.73Å |
| 1981 | N | 60.2 | Low | 57.8 | Low | 11 Ų | 11 | 64.3 Ų | 64.3 | 6% | 0.059 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.9 | -55.8 | 166.2 | -50.5 | 41.4 | 0 | 0 | 0 | 108.9 | T1977 E1978 R1983 K1984 D1985 E2201 E2204 | T1977-N1981 PolarHBondContact O-N 3.27Å; T1977-N1981 PolarHBondContact O-OD1 2.96Å; E1978-N1981 VanDerWaalsContact CA-OD1 3.22Å; E1978-N1981 WeakPolarHBondContact CA-OD1 3.03Å; E1978-N1981 HydrophobicContact CB-CB 3.86Å; E1978-N1981 HydrophobicContact CG-CB 4.14Å; E1978-N1981 PolarHBondContact N-OD1 2.77Å; N1981-R1983 PolarHBondContact O-N 2.93Å; N1981-K1984 CarbonylContact O-C 3.34Å; N1981-K1984 WeakPolarHBondContact O-CA 3.5Å; N1981-K1984 PolarHBondContact O-N 3.44Å; N1981-D1985 WeakPolarHBondContact O-CB 3.26Å; N1981-D1985 PolarHBondContact O-N 3.43Å; N1981-E2201 PolarHBondContact ND2-N 3.47Å; N1981-E2201 VanDerWaalsContact OD1-CA 3.26Å; N1981-E2201 WeakPolarHBondContact OD1-CA 3.25Å; N1981-E2204 VanDerWaalsContact CA-CB 3.41Å; N1981-E2204 VanDerWaalsContact CA-CD 3.5Å; N1981-E2204 VanDerWaalsContact CA-OE1 3.26Å; N1981-E2204 WeakPolarHBondContact CA-OE1 3.44Å; N1981-E2204 HydrophobicContact CB-CB 3.87Å; N1981-E2204 HydrophobicContact CB-CG 4.17Å; N1981-E2204 WeakPolarHBondContact CB-OE1 3.14Å; N1981-E2204 WeakPolarHBondContact CB-OE2 3.43Å; N1981-E2204 VanDerWaalsContact CG-CB 3.47Å; N1981-E2204 PolarHBondContact ND2-OE2 2.75Å; N1981-E2204 WeakPolarHBondContact OD1-CB 3.28Å |
| 1982 | V | 52.2 | Low | 57.5 | Low | 52 Ų | 52 | 67 Ų | 67 | 32% | 0.315 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -74.1 | 35 | 160.5 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | E1978 Y1979 V1986 | E1978-V1982 WeakPolarHBondContact O-CA 3.18Å; E1978-V1982 WeakPolarHBondContact O-CB 2.99Å; E1978-V1982 VanDerWaalsContact O-CG2 3.27Å; E1978-V1982 WeakPolarHBondContact O-CG2 3.14Å; E1978-V1982 PolarHBondContact O-N 2.93Å; Y1979-V1982 CarbonylContact O-C 3.57Å; Y1979-V1982 VanDerWaalsContact O-C 3.25Å; V1982-V1986 HydrophobicContact CG1-CG2 3.77Å; V1982-V1986 WeakPolarHBondContact O-CB 3.22Å; V1982-V1986 WeakPolarHBondContact O-CG2 3.32Å; V1982-V1986 PolarHBondContact O-N 2.89Å |
| 1983 | R | 62.1 | Low | 57 | Low | 35 Ų | 35 | 67 Ų | 67 | 13% | 0.132 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -116.8 | -38.8 | 148.4 | -163.1 | 87 | 147.1 | -89.8 | -29.1 | 112.3 | Y1979 E1980 N1981 D1985 V1986 V1987 S2208 | Y1979-R1983 WeakPolarHBondContact O-CB 3.24Å; Y1979-R1983 PolarHBondContact O-N 3.4Å; E1980-R1983 CarbonylContact O-C 3.45Å; E1980-R1983 VanDerWaalsContact O-CA 3.28Å; E1980-R1983 WeakPolarHBondContact O-CA 2.78Å; E1980-R1983 WeakPolarHBondContact O-CB 3.38Å; E1980-R1983 PolarHBondContact O-N 3.43Å; N1981-R1983 PolarHBondContact O-N 2.93Å; R1983-D1985 PolarHBondContact O-N 3.26Å; R1983-V1986 PolarHBondContact O-N 3.29Å; R1983-V1987 VanDerWaalsContact O-CB 3.27Å; R1983-V1987 WeakPolarHBondContact O-CB 3.46Å; R1983-V1987 VanDerWaalsContact O-CG2 3.24Å; R1983-V1987 WeakPolarHBondContact O-CG2 3.25Å; R1983-V1987 PolarHBondContact O-N 2.77Å; R1983-S2208 VanDerWaalsContact CZ-CB 3.45Å; R1983-S2208 PolarHBondContact NH1-OG 3.26Å; R1983-S2208 PolarHBondContact NH2-O 2.86Å |
| 1984 | K | 55.1 | Low | 56.8 | Low | 55 Ų | 55 | 70.9 Ų | 70.9 | 24% | 0.239 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.3 | -35.6 | 160.7 | -63.2 | -142.5 | 178.6 | 156.5 | 0 | 110.3 | E1980 N1981 V1987 R1988 V2203 E2204 L2207 | E1980-K1984 PolarHBondContact O-N 2.66Å; N1981-K1984 CarbonylContact O-C 3.34Å; N1981-K1984 WeakPolarHBondContact O-CA 3.5Å; N1981-K1984 PolarHBondContact O-N 3.44Å; K1984-V1987 CarbonylContact O-C 3.01Å; K1984-V1987 WeakPolarHBondContact O-CB 3.2Å; K1984-V1987 PolarHBondContact O-N 3.46Å; K1984-R1988 PolarHBondContact O-N 2.88Å; K1984-V2203 WeakPolarHBondContact CE-O 3.14Å; K1984-V2203 PolarHBondContact NZ-O 2.8Å; K1984-E2204 HydrophobicContact CB-CG 4.33Å; K1984-E2204 HydrophobicContact CD-CB 4.48Å; K1984-E2204 HydrophobicContact CD-CG 3.83Å; K1984-E2204 HydrophobicContact CG-CB 4.17Å; K1984-E2204 HydrophobicContact CG-CG 3.87Å; K1984-L2207 HydrophobicContact CB-CD2 4.32Å; K1984-L2207 HydrophobicContact CD-CB 4.18Å; K1984-L2207 HydrophobicContact CD-CD1 4.42Å; K1984-L2207 HydrophobicContact CG-CB 3.53Å; K1984-L2207 HydrophobicContact CG-CD1 4.41Å; K1984-L2207 HydrophobicContact CG-CD2 3.84Å; K1984-L2207 HydrophobicContact CG-CG 4.08Å |
| 1985 | D | 56.3 | Low | 56.7 | Low | 47 Ų | 47 | 71.2 Ų | 71.2 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -102.1 | -6.8 | 177.1 | -69.3 | 0.1 | 0 | 0 | 0 | 114.1 | N1981 R1983 V1987 R1988 E1989 | N1981-D1985 WeakPolarHBondContact O-CB 3.26Å; N1981-D1985 PolarHBondContact O-N 3.43Å; R1983-D1985 PolarHBondContact O-N 3.26Å; D1985-V1987 VanDerWaalsContact C-N 3.26Å; D1985-R1988 HydrophobicContact CB-CB 4.32Å; D1985-R1988 WeakPolarHBondContact OD1-CB 3.3Å; D1985-R1988 IonicContact OD1-CZ 3.28Å; D1985-R1988 IonicContact OD1-NE 3.75Å; D1985-R1988 PolarHBondContact OD1-NE 3.33Å; D1985-R1988 IonicContact OD1-NH2 2.71Å; D1985-R1988 PolarHBondContact OD1-NH2 3.06Å; D1985-R1988 IonicContact OD2-CZ 3.18Å; D1985-R1988 IonicContact OD2-NE 2.87Å; D1985-R1988 IonicContact OD2-NH2 3.61Å; D1985-R1988 PolarHBondContact OD2-NH2 3.09Å; D1985-E1989 VanDerWaalsContact O-CA 3.23Å; D1985-E1989 WeakPolarHBondContact O-CA 3.24Å; D1985-E1989 WeakPolarHBondContact O-CB 3.5Å; D1985-E1989 VanDerWaalsContact O-CG 3.29Å; D1985-E1989 WeakPolarHBondContact O-CG 3.07Å; D1985-E1989 PolarHBondContact O-N 2.77Å |
| 1986 | V | 57.5 | Low | 56.2 | Low | 50 Ų | 50 | 71 Ų | 71 | 30% | 0.303 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -76.8 | -16.8 | 149.1 | 151.4 | 0 | 0 | 0 | 0 | 111.1 | V1982 R1983 Q1990 | V1982-V1986 HydrophobicContact CG1-CG2 3.77Å; V1982-V1986 WeakPolarHBondContact O-CB 3.22Å; V1982-V1986 WeakPolarHBondContact O-CG2 3.32Å; V1982-V1986 PolarHBondContact O-N 2.89Å; R1983-V1986 PolarHBondContact O-N 3.29Å; V1986-Q1990 WeakPolarHBondContact O-CA 3.08Å; V1986-Q1990 WeakPolarHBondContact O-CB 3.07Å; V1986-Q1990 WeakPolarHBondContact O-CG 3.24Å; V1986-Q1990 PolarHBondContact O-N 2.85Å |
| 1987 | V | 54.4 | Low | 55.9 | Low | 63 Ų | 63 | 72 Ų | 72 | 38% | 0.382 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -82.3 | -33.5 | 167.2 | 166.4 | 0 | 0 | 0 | 0 | 111 | R1983 K1984 D1985 Q1990 L2207 | R1983-V1987 VanDerWaalsContact O-CB 3.27Å; R1983-V1987 WeakPolarHBondContact O-CB 3.46Å; R1983-V1987 VanDerWaalsContact O-CG2 3.24Å; R1983-V1987 WeakPolarHBondContact O-CG2 3.25Å; R1983-V1987 PolarHBondContact O-N 2.77Å; K1984-V1987 CarbonylContact O-C 3.01Å; K1984-V1987 WeakPolarHBondContact O-CB 3.2Å; K1984-V1987 PolarHBondContact O-N 3.46Å; D1985-V1987 VanDerWaalsContact C-N 3.26Å; V1987-Q1990 WeakPolarHBondContact O-CB 3.22Å; V1987-Q1990 PolarHBondContact O-N 3.1Å; V1987-L2207 HydrophobicContact CB-CD2 4.27Å; V1987-L2207 HydrophobicContact CG2-CD2 3.96Å |
| 1988 | R | 54.5 | Low | 56 | Low | 130 Ų | 130 | 77.6 Ų | 77.6 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -78.8 | -51.7 | 172.6 | -155.1 | -164.4 | -42.3 | -128.6 | 5.2 | 112.5 | K1984 D1985 Q1990 S1991 E1992 | K1984-R1988 PolarHBondContact O-N 2.88Å; D1985-R1988 HydrophobicContact CB-CB 4.32Å; D1985-R1988 WeakPolarHBondContact OD1-CB 3.3Å; D1985-R1988 IonicContact OD1-CZ 3.28Å; D1985-R1988 IonicContact OD1-NE 3.75Å; D1985-R1988 PolarHBondContact OD1-NE 3.33Å; D1985-R1988 IonicContact OD1-NH2 2.71Å; D1985-R1988 PolarHBondContact OD1-NH2 3.06Å; D1985-R1988 IonicContact OD2-CZ 3.18Å; D1985-R1988 IonicContact OD2-NE 2.87Å; D1985-R1988 IonicContact OD2-NH2 3.61Å; D1985-R1988 PolarHBondContact OD2-NH2 3.09Å; R1988-Q1990 PolarHBondContact O-N 2.57Å; R1988-S1991 CarbonylContact O-C 3.55Å; R1988-S1991 WeakPolarHBondContact O-CA 3.38Å; R1988-S1991 WeakPolarHBondContact O-CB 3.23Å; R1988-S1991 PolarHBondContact O-N 2.95Å; R1988-S1991 PolarHBondContact O-OG 3.03Å; R1988-E1992 WeakPolarHBondContact CD-OE1 3.38Å; R1988-E1992 WeakPolarHBondContact CG-OE1 3.19Å; R1988-E1992 PolarHBondContact O-N 2.79Å |
| 1989 | E | 44 | Very low | 55.9 | Low | 87 Ų | 87 | 79.8 Ų | 79.8 | 41% | 0.407 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -6.7 | 162.7 | -63.2 | -164.8 | 150.2 | 0 | 0 | 112.9 | D1985 L1993 | D1985-E1989 VanDerWaalsContact O-CA 3.23Å; D1985-E1989 WeakPolarHBondContact O-CA 3.24Å; D1985-E1989 WeakPolarHBondContact O-CB 3.5Å; D1985-E1989 VanDerWaalsContact O-CG 3.29Å; D1985-E1989 WeakPolarHBondContact O-CG 3.07Å; D1985-E1989 PolarHBondContact O-N 2.77Å; E1989-L1993 HydrophobicContact CB-CD1 4.05Å; E1989-L1993 HydrophobicContact CB-CG 4.04Å; E1989-L1993 VanDerWaalsContact O-CA 3.28Å; E1989-L1993 WeakPolarHBondContact O-CA 3.36Å; E1989-L1993 WeakPolarHBondContact O-CB 3.45Å; E1989-L1993 WeakPolarHBondContact O-CD1 3.11Å; E1989-L1993 WeakPolarHBondContact O-CG 2.91Å; E1989-L1993 PolarHBondContact O-N 3.47Å |
| 1990 | Q | 53.5 | Low | 56.5 | Low | 108 Ų | 108 | 75.9 Ų | 75.9 | 51% | 0.505 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.1 | -45.7 | 159 | -100.6 | 158.8 | 8.2 | 0 | 0 | 109.4 | V1986 V1987 R1988 E1994 | V1986-Q1990 WeakPolarHBondContact O-CA 3.08Å; V1986-Q1990 WeakPolarHBondContact O-CB 3.07Å; V1986-Q1990 WeakPolarHBondContact O-CG 3.24Å; V1986-Q1990 PolarHBondContact O-N 2.85Å; V1987-Q1990 WeakPolarHBondContact O-CB 3.22Å; V1987-Q1990 PolarHBondContact O-N 3.1Å; R1988-Q1990 PolarHBondContact O-N 2.57Å; Q1990-E1994 WeakPolarHBondContact O-CB 3.32Å; Q1990-E1994 WeakPolarHBondContact O-CG 3.06Å; Q1990-E1994 PolarHBondContact O-N 2.72Å |
| 1991 | S | 54.7 | Low | 57.1 | Low | 73 Ų | 73 | 80 Ų | 80 | 51% | 0.51 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -73.1 | -34.8 | 173.2 | 68.7 | 0 | 0 | 0 | 0 | 114.1 | R1988 E1994 H1995 | R1988-S1991 CarbonylContact O-C 3.55Å; R1988-S1991 WeakPolarHBondContact O-CA 3.38Å; R1988-S1991 WeakPolarHBondContact O-CB 3.23Å; R1988-S1991 PolarHBondContact O-N 2.95Å; R1988-S1991 PolarHBondContact O-OG 3.03Å; S1991-E1994 PolarHBondContact O-N 2.65Å; S1991-H1995 PolarHBondContact O-N 3.11Å; S1991-H1995 VanDerWaalsContact O-N 3.11Å |
| 1992 | E | 61.1 | Low | 56.9 | Low | 90 Ų | 90 | 85.3 Ų | 85.3 | 42% | 0.421 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -82.7 | -35.4 | 179.8 | -59.3 | 178.6 | -153.8 | 0 | 0 | 111.8 | R1988 H1995 I1996 | R1988-E1992 WeakPolarHBondContact CD-OE1 3.38Å; R1988-E1992 WeakPolarHBondContact CG-OE1 3.19Å; R1988-E1992 PolarHBondContact O-N 2.79Å; E1992-H1995 PolarHBondContact O-N 3.1Å; E1992-I1996 HydrophobicContact CB-CD1 4.37Å; E1992-I1996 WeakPolarHBondContact O-CA 3Å; E1992-I1996 WeakPolarHBondContact O-CB 2.97Å; E1992-I1996 WeakPolarHBondContact O-CG1 3.33Å; E1992-I1996 PolarHBondContact O-N 3.41Å |
| 1993 | L | 48.6 | Very low | 57.4 | Low | 80 Ų | 80 | 86.4 Ų | 86.4 | 42% | 0.419 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.7 | -36 | 162.8 | -64.9 | 159.1 | 0 | 0 | 0 | 110.5 | E1989 H1995 Q1997 | E1989-L1993 HydrophobicContact CB-CD1 4.05Å; E1989-L1993 HydrophobicContact CB-CG 4.04Å; E1989-L1993 VanDerWaalsContact O-CA 3.28Å; E1989-L1993 WeakPolarHBondContact O-CA 3.36Å; E1989-L1993 WeakPolarHBondContact O-CB 3.45Å; E1989-L1993 WeakPolarHBondContact O-CD1 3.11Å; E1989-L1993 WeakPolarHBondContact O-CG 2.91Å; E1989-L1993 PolarHBondContact O-N 3.47Å; L1993-H1995 PolarHBondContact O-N 2.94Å; L1993-Q1997 WeakPolarHBondContact O-CA 3.05Å; L1993-Q1997 WeakPolarHBondContact O-CB 2.95Å; L1993-Q1997 PolarHBondContact O-N 3.28Å |
| 1994 | E | 55.4 | Low | 57.5 | Low | 130 Ų | 130 | 88 Ų | 88 | 61% | 0.607 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.1 | -25.7 | 173.9 | -86.6 | -173.4 | -159.7 | 0 | 0 | 112.8 | Q1990 S1991 K1998 | Q1990-E1994 WeakPolarHBondContact O-CB 3.32Å; Q1990-E1994 WeakPolarHBondContact O-CG 3.06Å; Q1990-E1994 PolarHBondContact O-N 2.72Å; S1991-E1994 PolarHBondContact O-N 2.65Å; E1994-K1998 WeakPolarHBondContact O-CG 3.41Å; E1994-K1998 PolarHBondContact O-NZ 2.78Å |
| 1995 | H | 58.2 | Low | 58.1 | Low | 116 Ų | 116 | 91.1 Ų | 91.1 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -88.8 | -56.8 | 173.2 | -155.8 | -82.4 | 0 | 0 | 0 | 112.1 | S1991 E1992 L1993 Q1997 K1998 E1999 | S1991-H1995 PolarHBondContact O-N 3.11Å; S1991-H1995 VanDerWaalsContact O-N 3.11Å; E1992-H1995 PolarHBondContact O-N 3.1Å; L1993-H1995 PolarHBondContact O-N 2.94Å; H1995-Q1997 PolarHBondContact O-N 2.83Å; H1995-K1998 WeakPolarHBondContact O-CB 3.25Å; H1995-K1998 PolarHBondContact O-N 2.93Å; H1995-E1999 VanDerWaalsContact CE1-CD 3.4Å; H1995-E1999 IonicContact CE1-OE1 2.77Å; H1995-E1999 PolarHBondContact CE1-OE1 3.36Å; H1995-E1999 IonicContact CE1-OE2 3.99Å; H1995-E1999 PolarHBondContact CE1-OE2 2.68Å; H1995-E1999 IonicContact CG-OE2 3.45Å; H1995-E1999 VanDerWaalsContact ND1-CD 3.28Å; H1995-E1999 IonicContact ND1-OE1 3.23Å; H1995-E1999 IonicContact ND1-OE2 3.77Å; H1995-E1999 PolarHBondContact ND1-OE2 3.36Å; H1995-E1999 PolarHBondContact O-N 3.08Å; H1995-E1999 VanDerWaalsContact O-N 3.14Å |
| 1996 | I | 55.5 | Low | 58.4 | Low | 79 Ų | 79 | 94.4 Ų | 94.4 | 41% | 0.405 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.3 | -45.8 | 179.5 | -65.3 | 170.3 | 0 | 0 | 0 | 109.8 | E1992 K1998 E1999 K2000 | E1992-I1996 HydrophobicContact CB-CD1 4.37Å; E1992-I1996 WeakPolarHBondContact O-CA 3Å; E1992-I1996 WeakPolarHBondContact O-CB 2.97Å; E1992-I1996 WeakPolarHBondContact O-CG1 3.33Å; E1992-I1996 PolarHBondContact O-N 3.41Å; I1996-K1998 PolarHBondContact O-N 2.22Å; I1996-E1999 CarbonylContact O-C 3.56Å; I1996-E1999 PolarHBondContact O-N 3.17Å; I1996-K2000 HydrophobicContact CG2-CB 3.98Å; I1996-K2000 HydrophobicContact CG2-CD 4.12Å; I1996-K2000 VanDerWaalsContact O-CA 3.31Å; I1996-K2000 WeakPolarHBondContact O-CA 3.26Å; I1996-K2000 WeakPolarHBondContact O-CB 3.04Å; I1996-K2000 PolarHBondContact O-N 2.74Å |
| 1997 | Q | 59.8 | Low | 58.5 | Low | 65 Ų | 65 | 94.9 Ų | 94.9 | 30% | 0.304 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -55.1 | -28 | 176.3 | -178.1 | 60.5 | 16.6 | 0 | 0 | 112.7 | L1993 H1995 E2001 | L1993-Q1997 WeakPolarHBondContact O-CA 3.05Å; L1993-Q1997 WeakPolarHBondContact O-CB 2.95Å; L1993-Q1997 PolarHBondContact O-N 3.28Å; H1995-Q1997 PolarHBondContact O-N 2.83Å; Q1997-E2001 HydrophobicContact CG-CG 4.43Å; Q1997-E2001 WeakPolarHBondContact CG-OE1 3.16Å; Q1997-E2001 PolarHBondContact NE2-OE1 3.28Å; Q1997-E2001 WeakPolarHBondContact O-CB 3.12Å; Q1997-E2001 WeakPolarHBondContact O-CG 2.99Å; Q1997-E2001 PolarHBondContact O-N 3.35Å |
| 1998 | K | 60.4 | Low | 59.1 | Low | 131 Ų | 131 | 93.6 Ų | 93.6 | 57% | 0.57 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -78.7 | -45.8 | 174.2 | -59.9 | -177.8 | -179.5 | 86.2 | 0 | 111.5 | E1994 H1995 I1996 K2000 E2001 Q2002 | E1994-K1998 WeakPolarHBondContact O-CG 3.41Å; E1994-K1998 PolarHBondContact O-NZ 2.78Å; H1995-K1998 WeakPolarHBondContact O-CB 3.25Å; H1995-K1998 PolarHBondContact O-N 2.93Å; I1996-K1998 PolarHBondContact O-N 2.22Å; K1998-K2000 PolarHBondContact O-N 2.99Å; K1998-E2001 PolarHBondContact O-N 2.83Å; K1998-Q2002 PolarHBondContact O-N 2.85Å |
| 1999 | E | 60.1 | Low | 59.8 | Low | 111 Ų | 111 | 93.5 Ų | 93.5 | 52% | 0.519 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.2 | -24.9 | 175.1 | -65.3 | 176.3 | 130 | 0 | 0 | 112.6 | H1995 I1996 V2003 | H1995-E1999 VanDerWaalsContact CE1-CD 3.4Å; H1995-E1999 IonicContact CE1-OE1 2.77Å; H1995-E1999 PolarHBondContact CE1-OE1 3.36Å; H1995-E1999 IonicContact CE1-OE2 3.99Å; H1995-E1999 PolarHBondContact CE1-OE2 2.68Å; H1995-E1999 IonicContact CG-OE2 3.45Å; H1995-E1999 VanDerWaalsContact ND1-CD 3.28Å; H1995-E1999 IonicContact ND1-OE1 3.23Å; H1995-E1999 IonicContact ND1-OE2 3.77Å; H1995-E1999 PolarHBondContact ND1-OE2 3.36Å; H1995-E1999 PolarHBondContact O-N 3.08Å; H1995-E1999 VanDerWaalsContact O-N 3.14Å; I1996-E1999 CarbonylContact O-C 3.56Å; I1996-E1999 PolarHBondContact O-N 3.17Å; E1999-V2003 WeakPolarHBondContact O-CB 3.2Å; E1999-V2003 VanDerWaalsContact O-CG2 3.26Å; E1999-V2003 WeakPolarHBondContact O-CG2 3.32Å; E1999-V2003 PolarHBondContact O-N 3.16Å |
| 2000 | K | 68.3 | Low | 60.5 | Low | 66 Ų | 66 | 92.5 Ų | 92.5 | 29% | 0.287 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -93.7 | -25.2 | 179.5 | 178.7 | -175 | 153.4 | -65.7 | 0 | 111.5 | I1996 K1998 Q2002 E2004 | I1996-K2000 HydrophobicContact CG2-CB 3.98Å; I1996-K2000 HydrophobicContact CG2-CD 4.12Å; I1996-K2000 VanDerWaalsContact O-CA 3.31Å; I1996-K2000 WeakPolarHBondContact O-CA 3.26Å; I1996-K2000 WeakPolarHBondContact O-CB 3.04Å; I1996-K2000 PolarHBondContact O-N 2.74Å; K1998-K2000 PolarHBondContact O-N 2.99Å; K2000-Q2002 VanDerWaalsContact C-N 3.3Å; K2000-E2004 WeakPolarHBondContact CE-OE1 3Å; K2000-E2004 HydrophobicContact CG-CG 3.78Å; K2000-E2004 IonicContact NZ-OE1 3.81Å; K2000-E2004 PolarHBondContact NZ-OE1 3.45Å; K2000-E2004 IonicContact NZ-OE2 2.67Å; K2000-E2004 PolarHBondContact NZ-OE2 2.6Å; K2000-E2004 VanDerWaalsContact O-CA 3.3Å; K2000-E2004 WeakPolarHBondContact O-CA 3.02Å; K2000-E2004 WeakPolarHBondContact O-CB 3.27Å; K2000-E2004 WeakPolarHBondContact O-CG 3.25Å; K2000-E2004 PolarHBondContact O-N 2.9Å |
| 2001 | E | 66.5 | Low | 61.4 | Low | 102 Ų | 102 | 92.3 Ų | 92.3 | 48% | 0.477 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 163.1 | -87.1 | 165.3 | -165.4 | 0 | 0 | 109.9 | Q1997 K1998 L2005 | Q1997-E2001 HydrophobicContact CG-CG 4.43Å; Q1997-E2001 WeakPolarHBondContact CG-OE1 3.16Å; Q1997-E2001 PolarHBondContact NE2-OE1 3.28Å; Q1997-E2001 WeakPolarHBondContact O-CB 3.12Å; Q1997-E2001 WeakPolarHBondContact O-CG 2.99Å; Q1997-E2001 PolarHBondContact O-N 3.35Å; K1998-E2001 PolarHBondContact O-N 2.83Å; E2001-L2005 WeakPolarHBondContact O-CG 3.04Å; E2001-L2005 PolarHBondContact O-N 3.39Å |
| 2002 | Q | 57.8 | Low | 62.1 | Low | 121 Ų | 121 | 93.3 Ų | 93.3 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.6 | -54.6 | 172.6 | -167.6 | 72.1 | 33.8 | 0 | 0 | 111 | K1998 K2000 L2005 E2006 | K1998-Q2002 PolarHBondContact O-N 2.85Å; K2000-Q2002 VanDerWaalsContact C-N 3.3Å; Q2002-L2005 PolarHBondContact O-N 2.8Å; Q2002-E2006 PolarHBondContact O-N 3.4Å; Q2002-E2006 VanDerWaalsContact O-N 3.12Å |
| 2003 | V | 61 | Low | 62.4 | Low | 75 Ų | 75 | 90.2 Ų | 90.2 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.6 | -29.8 | 179 | 171.5 | 0 | 0 | 0 | 0 | 112.2 | E1999 L2005 E2006 L2007 | E1999-V2003 WeakPolarHBondContact O-CB 3.2Å; E1999-V2003 VanDerWaalsContact O-CG2 3.26Å; E1999-V2003 WeakPolarHBondContact O-CG2 3.32Å; E1999-V2003 PolarHBondContact O-N 3.16Å; V2003-L2005 VanDerWaalsContact C-N 3.29Å; V2003-L2005 PolarHBondContact O-N 2.7Å; V2003-E2006 CarbonylContact O-C 3.58Å; V2003-E2006 PolarHBondContact O-N 2.87Å; V2003-L2007 HydrophobicContact CG1-CB 4.19Å; V2003-L2007 WeakPolarHBondContact O-CA 3.2Å; V2003-L2007 WeakPolarHBondContact O-CB 3.29Å; V2003-L2007 PolarHBondContact O-N 3.14Å |
| 2004 | E | 65.6 | Low | 63.4 | Low | 68 Ų | 68 | 90.3 Ų | 90.3 | 32% | 0.318 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -79 | -6.4 | 172.2 | -71.1 | 176.9 | 146.7 | 0 | 0 | 112.7 | K2000 L2007 T2008 | K2000-E2004 WeakPolarHBondContact CE-OE1 3Å; K2000-E2004 HydrophobicContact CG-CG 3.78Å; K2000-E2004 IonicContact NZ-OE1 3.81Å; K2000-E2004 PolarHBondContact NZ-OE1 3.45Å; K2000-E2004 IonicContact NZ-OE2 2.67Å; K2000-E2004 PolarHBondContact NZ-OE2 2.6Å; K2000-E2004 VanDerWaalsContact O-CA 3.3Å; K2000-E2004 WeakPolarHBondContact O-CA 3.02Å; K2000-E2004 WeakPolarHBondContact O-CB 3.27Å; K2000-E2004 WeakPolarHBondContact O-CG 3.25Å; K2000-E2004 PolarHBondContact O-N 2.9Å; E2004-L2007 CarbonylContact O-C 3.43Å; E2004-T2008 WeakPolarHBondContact O-CA 3.22Å; E2004-T2008 WeakPolarHBondContact O-CB 3.15Å; E2004-T2008 WeakPolarHBondContact O-CG2 3.45Å; E2004-T2008 PolarHBondContact O-N 3.37Å; E2004-T2008 PolarHBondContact O-OG1 2.66Å |
| 2005 | L | 67.2 | Low | 64 | Low | 121 Ų | 121 | 86.1 Ų | 86.1 | 63% | 0.634 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -82.5 | -51.9 | 160.7 | -82.7 | 165.5 | 0 | 0 | 0 | 109.7 | E2001 Q2002 V2003 L2007 T2008 H2009 | E2001-L2005 WeakPolarHBondContact O-CG 3.04Å; E2001-L2005 PolarHBondContact O-N 3.39Å; Q2002-L2005 PolarHBondContact O-N 2.8Å; V2003-L2005 VanDerWaalsContact C-N 3.29Å; V2003-L2005 PolarHBondContact O-N 2.7Å; L2005-L2007 PolarHBondContact O-N 3.27Å; L2005-T2008 CarbonylContact O-C 3.3Å; L2005-T2008 PolarHBondContact O-N 3.04Å; L2005-H2009 PolarHBondContact O-N 2.56Å |
| 2006 | E | 62.6 | Low | 64.6 | Low | 116 Ų | 116 | 84 Ų | 84 | 54% | 0.542 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61 | -29.3 | 174.4 | -68.1 | -173.9 | -177.1 | 0 | 0 | 112.5 | Q2002 V2003 L2010 | Q2002-E2006 PolarHBondContact O-N 3.4Å; Q2002-E2006 VanDerWaalsContact O-N 3.12Å; V2003-E2006 CarbonylContact O-C 3.58Å; V2003-E2006 PolarHBondContact O-N 2.87Å; E2006-L2010 WeakPolarHBondContact O-CA 3.23Å; E2006-L2010 WeakPolarHBondContact O-CB 3.01Å; E2006-L2010 WeakPolarHBondContact O-CG 3.11Å; E2006-L2010 PolarHBondContact O-N 3.34Å |
| 2007 | L | 59.6 | Low | 65 | Low | 60 Ų | 60 | 82 Ų | 82 | 31% | 0.314 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -115.4 | 31.9 | 177.7 | -148.9 | 119.9 | 0 | 0 | 0 | 109.5 | V2003 E2004 L2005 L2010 R2011 | V2003-L2007 HydrophobicContact CG1-CB 4.19Å; V2003-L2007 WeakPolarHBondContact O-CA 3.2Å; V2003-L2007 WeakPolarHBondContact O-CB 3.29Å; V2003-L2007 PolarHBondContact O-N 3.14Å; E2004-L2007 CarbonylContact O-C 3.43Å; L2005-L2007 PolarHBondContact O-N 3.27Å; L2007-L2010 HydrophobicContact CD1-CB 4.49Å; L2007-L2010 WeakPolarHBondContact CG-O 3.41Å; L2007-R2011 HydrophobicContact CD2-CG 3.7Å; L2007-R2011 HydrophobicContact CG-CG 3.92Å; L2007-R2011 WeakPolarHBondContact O-CB 3.05Å; L2007-R2011 VanDerWaalsContact O-CD 3.31Å; L2007-R2011 WeakPolarHBondContact O-CD 3.23Å; L2007-R2011 WeakPolarHBondContact O-CG 3.48Å; L2007-R2011 PolarHBondContact O-N 3.23Å |
| 2008 | T | 67.1 | Low | 65.7 | Low | 36 Ų | 36 | 81.6 Ų | 81.6 | 22% | 0.221 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -120.3 | 2.5 | 136.8 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | R924 E2004 L2005 R2011 Q2012 | R924-T2008 HydrophobicContact CG-CG2 4.48Å; E2004-T2008 WeakPolarHBondContact O-CA 3.22Å; E2004-T2008 WeakPolarHBondContact O-CB 3.15Å; E2004-T2008 WeakPolarHBondContact O-CG2 3.45Å; E2004-T2008 PolarHBondContact O-N 3.37Å; E2004-T2008 PolarHBondContact O-OG1 2.66Å; L2005-T2008 CarbonylContact O-C 3.3Å; L2005-T2008 PolarHBondContact O-N 3.04Å; T2008-R2011 VanDerWaalsContact C-C 3.41Å; T2008-R2011 CarbonylContact C-O 2.83Å; T2008-R2011 WeakPolarHBondContact CA-O 3.09Å; T2008-R2011 HydrophobicContact CG2-CB 4.29Å; T2008-R2011 CarbonylContact O-C 3.3Å; T2008-Q2012 VanDerWaalsContact O-CB 3.29Å; T2008-Q2012 WeakPolarHBondContact O-CB 3.4Å; T2008-Q2012 PolarHBondContact O-N 2.69Å |
| 2009 | H | 69.8 | Low | 65.9 | Low | 128 Ų | 128 | 79.3 Ų | 79.3 | 59% | 0.593 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -89 | -56.5 | 155.4 | -172.1 | -60.8 | 0 | 0 | 0 | 110.3 | L2005 R2011 Q2012 E2013 | L2005-H2009 PolarHBondContact O-N 2.56Å; H2009-R2011 PolarHBondContact O-N 3.48Å; H2009-Q2012 WeakPolarHBondContact O-CA 3.36Å; H2009-Q2012 WeakPolarHBondContact O-CB 3.43Å; H2009-Q2012 PolarHBondContact O-N 2.67Å; H2009-E2013 IonicContact CE1-OE1 2.69Å; H2009-E2013 PolarHBondContact CE1-OE1 3.29Å; H2009-E2013 IonicContact ND1-OE1 3.26Å; H2009-E2013 PolarHBondContact ND1-OE1 3.48Å; H2009-E2013 WeakPolarHBondContact O-CG 3.28Å; H2009-E2013 PolarHBondContact O-N 3.42Å; H2009-E2013 VanDerWaalsContact O-OE1 3.07Å |
| 2010 | L | 58.3 | Low | 66.4 | Low | 67 Ų | 67 | 77.5 Ų | 77.5 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 15.7 | 156.9 | -59.1 | 159.7 | 0 | 0 | 0 | 111.1 | N921 P922 E2006 L2007 E2013 | N921-L2010 CarbonylContact C-O 3.33Å; N921-L2010 WeakPolarHBondContact CA-O 3.26Å; N921-L2010 HydrophobicContact CB-CB 3.76Å; N921-L2010 HydrophobicContact CB-CD2 4.13Å; N921-L2010 WeakPolarHBondContact CB-O 3.17Å; N921-L2010 CarbonylContact O-C 3.46Å; P922-L2010 WeakPolarHBondContact CD-O 3.24Å; P922-L2010 VanDerWaalsContact N-O 3.07Å; E2006-L2010 WeakPolarHBondContact O-CA 3.23Å; E2006-L2010 WeakPolarHBondContact O-CB 3.01Å; E2006-L2010 WeakPolarHBondContact O-CG 3.11Å; E2006-L2010 PolarHBondContact O-N 3.34Å; L2007-L2010 HydrophobicContact CD1-CB 4.49Å; L2007-L2010 WeakPolarHBondContact CG-O 3.41Å; L2010-E2013 WeakPolarHBondContact CD2-OE1 3.38Å |
| 2011 | R | 73.1 | Confident | 66.2 | Low | 104 Ų | 104 | 80.6 Ų | 80.6 | 39% | 0.392 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | 62.9 | 136.3 | -62.8 | -177.4 | 157.9 | -110.8 | 8.7 | 110.4 | N921 P922 T923 L2007 T2008 H2009 | N921-R2011 WeakPolarHBondContact O-CA 3.39Å; P922-R2011 HydrophobicContact CB-CB 4.33Å; P922-R2011 HydrophobicContact CB-CG 3.75Å; P922-R2011 HydrophobicContact CG-CG 4.11Å; P922-R2011 CarbonylContact O-C 3.56Å; P922-R2011 WeakPolarHBondContact O-CA 3.11Å; T923-R2011 VanDerWaalsContact CA-O 3.29Å; T923-R2011 WeakPolarHBondContact CA-O 2.86Å; T923-R2011 PolarHBondContact O-NH1 2.75Å; L2007-R2011 HydrophobicContact CD2-CG 3.7Å; L2007-R2011 HydrophobicContact CG-CG 3.92Å; L2007-R2011 WeakPolarHBondContact O-CB 3.05Å; L2007-R2011 VanDerWaalsContact O-CD 3.31Å; L2007-R2011 WeakPolarHBondContact O-CD 3.23Å; L2007-R2011 WeakPolarHBondContact O-CG 3.48Å; L2007-R2011 PolarHBondContact O-N 3.23Å; T2008-R2011 VanDerWaalsContact C-C 3.41Å; T2008-R2011 CarbonylContact C-O 2.83Å; T2008-R2011 WeakPolarHBondContact CA-O 3.09Å; T2008-R2011 HydrophobicContact CG2-CB 4.29Å; T2008-R2011 CarbonylContact O-C 3.3Å; H2009-R2011 PolarHBondContact O-N 3.48Å |
| 2012 | Q | 68 | Low | 66.4 | Low | 94 Ų | 94 | 78.9 Ų | 78.9 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | -37.5 | 157.4 | 173.8 | 64.3 | 104.3 | 0 | 0 | 110.2 | P922 T923 T2008 H2009 I2016 | P922-Q2012 CarbonylContact O-C 3.55Å; P922-Q2012 VanDerWaalsContact O-CA 3.32Å; P922-Q2012 WeakPolarHBondContact O-CA 3.45Å; P922-Q2012 PolarHBondContact O-N 2.64Å; T923-Q2012 PolarHBondContact OG1-O 3.24Å; T2008-Q2012 VanDerWaalsContact O-CB 3.29Å; T2008-Q2012 WeakPolarHBondContact O-CB 3.4Å; T2008-Q2012 PolarHBondContact O-N 2.69Å; H2009-Q2012 WeakPolarHBondContact O-CA 3.36Å; H2009-Q2012 WeakPolarHBondContact O-CB 3.43Å; H2009-Q2012 PolarHBondContact O-N 2.67Å; Q2012-I2016 HydrophobicContact CG-CD1 4.05Å; Q2012-I2016 VanDerWaalsContact O-CB 3.27Å; Q2012-I2016 WeakPolarHBondContact O-CB 3.01Å; Q2012-I2016 WeakPolarHBondContact O-CD1 3.49Å; Q2012-I2016 WeakPolarHBondContact O-CG1 3.37Å; Q2012-I2016 PolarHBondContact O-N 2.69Å; Q2012-I2016 VanDerWaalsContact O-N 3.16Å |
| 2013 | E | 66.9 | Low | 67.1 | Low | 24 Ų | 24 | 76.1 Ų | 76.1 | 11% | 0.112 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -88.4 | -2.5 | -172.2 | 5.9 | 75.8 | 165.8 | 0 | 0 | 116.6 | K919 P920 N921 P922 H2009 L2010 T2017 | K919-E2013 VanDerWaalsContact O-CB 3.3Å; K919-E2013 WeakPolarHBondContact O-CB 3.28Å; K919-E2013 VanDerWaalsContact O-CG 3.31Å; K919-E2013 WeakPolarHBondContact O-CG 3.37Å; P920-E2013 VanDerWaalsContact CA-OE2 3.29Å; P920-E2013 WeakPolarHBondContact CA-OE2 3.26Å; P920-E2013 WeakPolarHBondContact CB-O 2.93Å; N921-E2013 PolarHBondContact N-OE2 2.68Å; N921-E2013 PolarHBondContact O-N 2.93Å; P922-E2013 PolarHBondContact O-N 3.29Å; H2009-E2013 IonicContact CE1-OE1 2.69Å; H2009-E2013 PolarHBondContact CE1-OE1 3.29Å; H2009-E2013 IonicContact ND1-OE1 3.26Å; H2009-E2013 PolarHBondContact ND1-OE1 3.48Å; H2009-E2013 WeakPolarHBondContact O-CG 3.28Å; H2009-E2013 PolarHBondContact O-N 3.42Å; H2009-E2013 VanDerWaalsContact O-OE1 3.07Å; L2010-E2013 WeakPolarHBondContact CD2-OE1 3.38Å; E2013-T2017 WeakPolarHBondContact O-CB 3.34Å; E2013-T2017 VanDerWaalsContact O-CG2 3.27Å; E2013-T2017 WeakPolarHBondContact O-CG2 3.02Å; E2013-T2017 PolarHBondContact O-N 2.65Å; E2013-T2017 PolarHBondContact O-OG1 3.13Å |
| 2014 | R | 70.1 | Confident | 67.3 | Low | 83 Ų | 83 | 77.9 Ų | 77.9 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 6 | 170.3 | -157 | -122.8 | 64.5 | 179.6 | -0.3 | 117.4 | P920 N921 P922 T2017 K2018 | P920-R2014 HydrophobicContact CB-CB 3.85Å; P920-R2014 HydrophobicContact CB-CG 4.12Å; N921-R2014 PolarHBondContact O-N 2.72Å; P922-R2014 VanDerWaalsContact CA-C 3.43Å; P922-R2014 CarbonylContact O-C 3.51Å; P922-R2014 PolarHBondContact O-N 3Å; P922-R2014 VanDerWaalsContact O-N 3.12Å; R2014-T2017 VanDerWaalsContact CA-OG1 3.25Å; R2014-T2017 WeakPolarHBondContact CA-OG1 3.05Å; R2014-T2017 WeakPolarHBondContact CB-OG1 3.03Å; R2014-T2017 VanDerWaalsContact CG-OG1 3.29Å; R2014-T2017 WeakPolarHBondContact CG-OG1 3.37Å; R2014-K2018 HydrophobicContact CG-CB 4.36Å; R2014-K2018 VanDerWaalsContact O-CA 3.24Å; R2014-K2018 WeakPolarHBondContact O-CA 3.38Å; R2014-K2018 WeakPolarHBondContact O-CB 3.42Å; R2014-K2018 PolarHBondContact O-N 3.04Å |
| 2015 | D | 68.3 | Low | 67.5 | Low | 41 Ų | 41 | 77.6 Ų | 77.6 | 22% | 0.219 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 6.3 | 141 | -35.1 | -35.3 | 0 | 0 | 0 | 109.5 | P922 T923 T2019 | P922-D2015 WeakPolarHBondContact CA-OD1 3.06Å; P922-D2015 WeakPolarHBondContact CB-OD1 3.12Å; P922-D2015 PolarHBondContact O-N 2.97Å; T923-D2015 WeakPolarHBondContact CA-OD2 3.4Å; T923-D2015 PolarHBondContact N-OD2 2.97Å; T923-D2015 WeakPolarHBondContact OG1-CA 2.91Å; T923-D2015 WeakPolarHBondContact OG1-CB 3.4Å; T923-D2015 PolarHBondContact OG1-N 2.59Å; D2015-T2019 WeakPolarHBondContact O-CB 3.36Å; D2015-T2019 WeakPolarHBondContact O-CG2 3.5Å; D2015-T2019 PolarHBondContact O-N 2.75Å; D2015-T2019 PolarHBondContact O-OG1 2.81Å |
| 2016 | I | 71.2 | Confident | 67.5 | Low | 73 Ų | 73 | 74.2 Ų | 74.2 | 37% | 0.374 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -55.3 | 141 | -75.5 | 171.5 | 0 | 0 | 0 | 110.3 | T923 Q2012 K2018 T2019 Q2020 | T923-I2016 PolarHBondContact OG1-N 3.43Å; Q2012-I2016 HydrophobicContact CG-CD1 4.05Å; Q2012-I2016 VanDerWaalsContact O-CB 3.27Å; Q2012-I2016 WeakPolarHBondContact O-CB 3.01Å; Q2012-I2016 WeakPolarHBondContact O-CD1 3.49Å; Q2012-I2016 WeakPolarHBondContact O-CG1 3.37Å; Q2012-I2016 PolarHBondContact O-N 2.69Å; Q2012-I2016 VanDerWaalsContact O-N 3.16Å; I2016-K2018 PolarHBondContact O-N 2.72Å; I2016-T2019 CarbonylContact O-C 3.42Å; I2016-T2019 PolarHBondContact O-N 3.09Å; I2016-T2019 PolarHBondContact O-OG1 3.08Å; I2016-T2019 VanDerWaalsContact O-OG1 3.13Å; I2016-Q2020 VanDerWaalsContact O-CG 3.31Å; I2016-Q2020 WeakPolarHBondContact O-CG 3.35Å; I2016-Q2020 PolarHBondContact O-N 3.35Å |
| 2017 | T | 64.2 | Low | 67.9 | Low | 36 Ų | 36 | 74.4 Ų | 74.4 | 22% | 0.221 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -81.6 | -4.3 | 178.8 | 59.7 | 0 | 0 | 0 | 0 | 115.5 | P920 E2013 R2014 Q2020 W2021 | P920-T2017 HydrophobicContact CB-CG2 4.01Å; P920-T2017 WeakPolarHBondContact CB-OG1 2.99Å; E2013-T2017 WeakPolarHBondContact O-CB 3.34Å; E2013-T2017 VanDerWaalsContact O-CG2 3.27Å; E2013-T2017 WeakPolarHBondContact O-CG2 3.02Å; E2013-T2017 PolarHBondContact O-N 2.65Å; E2013-T2017 PolarHBondContact O-OG1 3.13Å; R2014-T2017 VanDerWaalsContact CA-OG1 3.25Å; R2014-T2017 WeakPolarHBondContact CA-OG1 3.05Å; R2014-T2017 WeakPolarHBondContact CB-OG1 3.03Å; R2014-T2017 VanDerWaalsContact CG-OG1 3.29Å; R2014-T2017 WeakPolarHBondContact CG-OG1 3.37Å; T2017-Q2020 CarbonylContact O-C 3.47Å; T2017-W2021 VanDerWaalsContact O-CB 3.27Å; T2017-W2021 WeakPolarHBondContact O-CB 3.32Å; T2017-W2021 PolarHBondContact O-N 2.74Å |
| 2018 | K | 73.2 | Confident | 68.3 | Low | 57 Ų | 57 | 74.7 Ų | 74.7 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -106.3 | -4.5 | 159.4 | -150 | -162.8 | -178 | -76.8 | 0 | 113.2 | R2014 I2016 Q2020 W2021 D2022 | R2014-K2018 HydrophobicContact CG-CB 4.36Å; R2014-K2018 VanDerWaalsContact O-CA 3.24Å; R2014-K2018 WeakPolarHBondContact O-CA 3.38Å; R2014-K2018 WeakPolarHBondContact O-CB 3.42Å; R2014-K2018 PolarHBondContact O-N 3.04Å; I2016-K2018 PolarHBondContact O-N 2.72Å; K2018-Q2020 VanDerWaalsContact C-N 3.33Å; K2018-W2021 HydrophobicContact CB-CB 4.33Å; K2018-W2021 HydrophobicContact CD-CE3 4.34Å; K2018-W2021 HydrophobicContact CG-CB 3.93Å; K2018-W2021 HydrophobicContact CG-CD2 4.46Å; K2018-W2021 HydrophobicContact CG-CE3 3.81Å; K2018-D2022 WeakPolarHBondContact CD-OD2 3.43Å; K2018-D2022 WeakPolarHBondContact CG-OD2 3.26Å; K2018-D2022 IonicContact NZ-OD1 2.82Å; K2018-D2022 PolarHBondContact NZ-OD1 3.48Å; K2018-D2022 IonicContact NZ-OD2 3.38Å; K2018-D2022 PolarHBondContact NZ-OD2 2.7Å; K2018-D2022 VanDerWaalsContact O-CA 3.29Å; K2018-D2022 WeakPolarHBondContact O-CA 3.23Å; K2018-D2022 WeakPolarHBondContact O-CB 3.26Å; K2018-D2022 PolarHBondContact O-N 3.45Å; K2018-D2022 VanDerWaalsContact O-OD2 3.11Å |
| 2019 | T | 66 | Low | 68.2 | Low | 83 Ų | 83 | 78.2 Ų | 78.2 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -81.8 | -16 | 144.8 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | D2015 I2016 S2023 | D2015-T2019 WeakPolarHBondContact O-CB 3.36Å; D2015-T2019 WeakPolarHBondContact O-CG2 3.5Å; D2015-T2019 PolarHBondContact O-N 2.75Å; D2015-T2019 PolarHBondContact O-OG1 2.81Å; I2016-T2019 CarbonylContact O-C 3.42Å; I2016-T2019 PolarHBondContact O-N 3.09Å; I2016-T2019 PolarHBondContact O-OG1 3.08Å; I2016-T2019 VanDerWaalsContact O-OG1 3.13Å; T2019-S2023 VanDerWaalsContact O-CA 3.32Å; T2019-S2023 WeakPolarHBondContact O-CA 3.42Å; T2019-S2023 WeakPolarHBondContact O-CB 3.13Å; T2019-S2023 PolarHBondContact O-N 3.37Å; T2019-S2023 PolarHBondContact O-OG 2.72Å |
| 2020 | Q | 69.5 | Low | 68.3 | Low | 73 Ų | 73 | 75.4 Ų | 75.4 | 34% | 0.341 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -77 | -45.5 | 159.5 | -64.5 | 165.2 | 34.2 | 0 | 0 | 109.4 | I2016 T2017 K2018 S2023 F2024 | I2016-Q2020 VanDerWaalsContact O-CG 3.31Å; I2016-Q2020 WeakPolarHBondContact O-CG 3.35Å; I2016-Q2020 PolarHBondContact O-N 3.35Å; T2017-Q2020 CarbonylContact O-C 3.47Å; K2018-Q2020 VanDerWaalsContact C-N 3.33Å; Q2020-S2023 CarbonylContact O-C 2.96Å; Q2020-S2023 PolarHBondContact O-N 3.44Å; Q2020-F2024 HydrophobicContact CB-CD2 4.18Å; Q2020-F2024 HydrophobicContact CB-CE2 3.89Å; Q2020-F2024 HydrophobicContact CB-CZ 4.36Å; Q2020-F2024 VanDerWaalsContact O-CA 3.28Å; Q2020-F2024 WeakPolarHBondContact O-CA 3.09Å; Q2020-F2024 WeakPolarHBondContact O-CB 3.26Å; Q2020-F2024 WeakPolarHBondContact O-CD2 3.36Å; Q2020-F2024 WeakPolarHBondContact O-CG 3.44Å; Q2020-F2024 PolarHBondContact O-N 2.91Å |
| 2021 | W | 65.1 | Low | 68.7 | Low | 130 Ų | 130 | 76.4 Ų | 76.4 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -73.1 | -26 | 177.8 | -167.7 | 89 | 0 | 0 | 0 | 113.3 | T2017 K2018 F2024 Q2025 | T2017-W2021 VanDerWaalsContact O-CB 3.27Å; T2017-W2021 WeakPolarHBondContact O-CB 3.32Å; T2017-W2021 PolarHBondContact O-N 2.74Å; K2018-W2021 HydrophobicContact CB-CB 4.33Å; K2018-W2021 HydrophobicContact CD-CE3 4.34Å; K2018-W2021 HydrophobicContact CG-CB 3.93Å; K2018-W2021 HydrophobicContact CG-CD2 4.46Å; K2018-W2021 HydrophobicContact CG-CE3 3.81Å; W2021-F2024 CarbonylContact O-C 3.06Å; W2021-F2024 PolarHBondContact O-N 3.11Å; W2021-Q2025 HydrophobicContact CD2-CG 3.81Å; W2021-Q2025 HydrophobicContact CE3-CB 4.42Å; W2021-Q2025 HydrophobicContact CE3-CG 3.77Å; W2021-Q2025 HydrophobicContact CH2-CG 3.72Å; W2021-Q2025 HydrophobicContact CZ2-CG 3.73Å; W2021-Q2025 HydrophobicContact CZ3-CB 4.44Å; W2021-Q2025 HydrophobicContact CZ3-CG 3.72Å; W2021-Q2025 WeakPolarHBondContact O-CA 3.33Å; W2021-Q2025 WeakPolarHBondContact O-CB 3.38Å; W2021-Q2025 VanDerWaalsContact O-CG 3.23Å; W2021-Q2025 WeakPolarHBondContact O-CG 3.18Å; W2021-Q2025 PolarHBondContact O-N 3.16Å |
| 2022 | D | 70.1 | Confident | 68.5 | Low | 67 Ų | 67 | 75.2 Ų | 75.2 | 36% | 0.358 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -96.1 | -8.3 | 170.2 | -58.8 | -33.4 | 0 | 0 | 0 | 113.4 | K2018 S2026 | K2018-D2022 WeakPolarHBondContact CD-OD2 3.43Å; K2018-D2022 WeakPolarHBondContact CG-OD2 3.26Å; K2018-D2022 IonicContact NZ-OD1 2.82Å; K2018-D2022 PolarHBondContact NZ-OD1 3.48Å; K2018-D2022 IonicContact NZ-OD2 3.38Å; K2018-D2022 PolarHBondContact NZ-OD2 2.7Å; K2018-D2022 VanDerWaalsContact O-CA 3.29Å; K2018-D2022 WeakPolarHBondContact O-CA 3.23Å; K2018-D2022 WeakPolarHBondContact O-CB 3.26Å; K2018-D2022 PolarHBondContact O-N 3.45Å; K2018-D2022 VanDerWaalsContact O-OD2 3.11Å; D2022-S2026 WeakPolarHBondContact O-CA 3.34Å; D2022-S2026 WeakPolarHBondContact O-CB 3.38Å; D2022-S2026 PolarHBondContact O-N 3.03Å |
| 2023 | S | 73.1 | Confident | 68.4 | Low | 62 Ų | 62 | 72.9 Ų | 72.9 | 43% | 0.434 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | 12.5 | 152.6 | 80.3 | 0 | 0 | 0 | 0 | 112.8 | T2019 Q2020 K2027 | T2019-S2023 VanDerWaalsContact O-CA 3.32Å; T2019-S2023 WeakPolarHBondContact O-CA 3.42Å; T2019-S2023 WeakPolarHBondContact O-CB 3.13Å; T2019-S2023 PolarHBondContact O-N 3.37Å; T2019-S2023 PolarHBondContact O-OG 2.72Å; Q2020-S2023 CarbonylContact O-C 2.96Å; Q2020-S2023 PolarHBondContact O-N 3.44Å; S2023-K2027 WeakPolarHBondContact O-CA 3.49Å; S2023-K2027 WeakPolarHBondContact O-CB 3.5Å; S2023-K2027 PolarHBondContact O-N 3.12Å |
| 2024 | F | 64.6 | Low | 68.7 | Low | 112 Ų | 112 | 76.6 Ų | 76.6 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -10.1 | 159.6 | -62.5 | -36.6 | 0 | 0 | 0 | 110.8 | Q2020 W2021 K2027 I2028 | Q2020-F2024 HydrophobicContact CB-CD2 4.18Å; Q2020-F2024 HydrophobicContact CB-CE2 3.89Å; Q2020-F2024 HydrophobicContact CB-CZ 4.36Å; Q2020-F2024 VanDerWaalsContact O-CA 3.28Å; Q2020-F2024 WeakPolarHBondContact O-CA 3.09Å; Q2020-F2024 WeakPolarHBondContact O-CB 3.26Å; Q2020-F2024 WeakPolarHBondContact O-CD2 3.36Å; Q2020-F2024 WeakPolarHBondContact O-CG 3.44Å; Q2020-F2024 PolarHBondContact O-N 2.91Å; W2021-F2024 CarbonylContact O-C 3.06Å; W2021-F2024 PolarHBondContact O-N 3.11Å; F2024-K2027 HydrophobicContact CB-CB 4.49Å; F2024-K2027 HydrophobicContact CD1-CB 4.23Å; F2024-I2028 VanDerWaalsContact C-N 3.27Å; F2024-I2028 WeakPolarHBondContact O-CA 3.42Å; F2024-I2028 WeakPolarHBondContact O-CB 3.3Å; F2024-I2028 VanDerWaalsContact O-CD1 3.25Å; F2024-I2028 WeakPolarHBondContact O-CD1 3.28Å; F2024-I2028 WeakPolarHBondContact O-CG1 3.3Å; F2024-I2028 PolarHBondContact O-N 2.64Å |
| 2025 | Q | 69.7 | Low | 68.6 | Low | 62 Ų | 62 | 78 Ų | 78 | 29% | 0.29 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -16.2 | 164.9 | -73.3 | -71.7 | 0.9 | 0 | 0 | 110.9 | W2021 K2029 | W2021-Q2025 HydrophobicContact CD2-CG 3.81Å; W2021-Q2025 HydrophobicContact CE3-CB 4.42Å; W2021-Q2025 HydrophobicContact CE3-CG 3.77Å; W2021-Q2025 HydrophobicContact CH2-CG 3.72Å; W2021-Q2025 HydrophobicContact CZ2-CG 3.73Å; W2021-Q2025 HydrophobicContact CZ3-CB 4.44Å; W2021-Q2025 HydrophobicContact CZ3-CG 3.72Å; W2021-Q2025 WeakPolarHBondContact O-CA 3.33Å; W2021-Q2025 WeakPolarHBondContact O-CB 3.38Å; W2021-Q2025 VanDerWaalsContact O-CG 3.23Å; W2021-Q2025 WeakPolarHBondContact O-CG 3.18Å; W2021-Q2025 PolarHBondContact O-N 3.16Å; Q2025-K2029 WeakPolarHBondContact O-CA 3.19Å; Q2025-K2029 WeakPolarHBondContact O-CB 3.25Å; Q2025-K2029 WeakPolarHBondContact O-CG 3.03Å; Q2025-K2029 PolarHBondContact O-N 3.15Å |
| 2026 | S | 67.5 | Low | 68.6 | Low | 50 Ų | 50 | 79.5 Ų | 79.5 | 35% | 0.35 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -80.6 | -30 | 141.2 | -158.1 | 0 | 0 | 0 | 0 | 111 | D2022 I2028 K2029 D2030 | D2022-S2026 WeakPolarHBondContact O-CA 3.34Å; D2022-S2026 WeakPolarHBondContact O-CB 3.38Å; D2022-S2026 PolarHBondContact O-N 3.03Å; S2026-I2028 VanDerWaalsContact C-N 3.33Å; S2026-K2029 CarbonylContact O-C 3.43Å; S2026-D2030 VanDerWaalsContact O-CA 3.26Å; S2026-D2030 WeakPolarHBondContact O-CA 3.38Å; S2026-D2030 WeakPolarHBondContact O-CB 3.38Å; S2026-D2030 PolarHBondContact O-N 3.12Å; S2026-D2030 PolarHBondContact OG-OD2 3.02Å |
| 2027 | K | 69.9 | Low | 68.3 | Low | 120 Ų | 120 | 81.7 Ų | 81.7 | 52% | 0.522 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.5 | -34.2 | 164.8 | -131.8 | 76.9 | 173.6 | 177 | 0 | 111.1 | S2023 F2024 D2030 L2031 | S2023-K2027 WeakPolarHBondContact O-CA 3.49Å; S2023-K2027 WeakPolarHBondContact O-CB 3.5Å; S2023-K2027 PolarHBondContact O-N 3.12Å; F2024-K2027 HydrophobicContact CB-CB 4.49Å; F2024-K2027 HydrophobicContact CD1-CB 4.23Å; K2027-D2030 CarbonylContact O-C 3.35Å; K2027-D2030 PolarHBondContact O-N 3.18Å; K2027-L2031 HydrophobicContact CB-CD1 4.18Å; K2027-L2031 HydrophobicContact CG-CD1 3.82Å; K2027-L2031 HydrophobicContact CG-CG 4.16Å; K2027-L2031 WeakPolarHBondContact O-CA 3.36Å; K2027-L2031 WeakPolarHBondContact O-CB 3.43Å; K2027-L2031 VanDerWaalsContact O-CD1 3.32Å; K2027-L2031 WeakPolarHBondContact O-CD1 3.33Å; K2027-L2031 WeakPolarHBondContact O-CG 3.14Å; K2027-L2031 PolarHBondContact O-N 3.5Å |
| 2028 | I | 68.4 | Low | 68.3 | Low | 66 Ų | 66 | 84.6 Ų | 84.6 | 34% | 0.338 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -77.4 | -45.2 | 176.6 | -75 | 161.5 | 0 | 0 | 0 | 108.4 | F2024 S2026 D2030 L2031 E2032 | F2024-I2028 VanDerWaalsContact C-N 3.27Å; F2024-I2028 WeakPolarHBondContact O-CA 3.42Å; F2024-I2028 WeakPolarHBondContact O-CB 3.3Å; F2024-I2028 VanDerWaalsContact O-CD1 3.25Å; F2024-I2028 WeakPolarHBondContact O-CD1 3.28Å; F2024-I2028 WeakPolarHBondContact O-CG1 3.3Å; F2024-I2028 PolarHBondContact O-N 2.64Å; S2026-I2028 VanDerWaalsContact C-N 3.33Å; I2028-D2030 PolarHBondContact O-N 3.49Å; I2028-D2030 VanDerWaalsContact O-N 3.14Å; I2028-L2031 CarbonylContact O-C 3.16Å; I2028-L2031 VanDerWaalsContact O-C 3.24Å; I2028-L2031 PolarHBondContact O-N 3.22Å; I2028-E2032 VanDerWaalsContact CG2-CD 3.42Å; I2028-E2032 HydrophobicContact CG2-CG 3.96Å; I2028-E2032 WeakPolarHBondContact CG2-OE2 3.2Å; I2028-E2032 WeakPolarHBondContact O-CA 3.29Å; I2028-E2032 WeakPolarHBondContact O-CB 3.2Å; I2028-E2032 WeakPolarHBondContact O-CG 3.28Å; I2028-E2032 PolarHBondContact O-N 2.64Å |
| 2029 | K | 65.6 | Low | 67.7 | Low | 111 Ų | 111 | 85.4 Ų | 85.4 | 48% | 0.483 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.3 | -20 | 165.9 | -74 | -176.9 | 174.9 | -174.1 | 0 | 114.7 | Q2025 S2026 N2033 | Q2025-K2029 WeakPolarHBondContact O-CA 3.19Å; Q2025-K2029 WeakPolarHBondContact O-CB 3.25Å; Q2025-K2029 WeakPolarHBondContact O-CG 3.03Å; Q2025-K2029 PolarHBondContact O-N 3.15Å; S2026-K2029 CarbonylContact O-C 3.43Å; K2029-N2033 WeakPolarHBondContact O-CA 3.41Å; K2029-N2033 WeakPolarHBondContact O-CB 3.21Å; K2029-N2033 PolarHBondContact O-N 2.89Å; K2029-N2033 PolarHBondContact O-ND2 3.44Å |
| 2030 | D | 71.3 | Confident | 67.7 | Low | 68 Ų | 68 | 84.5 Ų | 84.5 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -97.9 | -13.3 | 173.9 | -63 | -35.6 | 0 | 0 | 0 | 112.2 | S2026 K2027 I2028 Q2034 | S2026-D2030 VanDerWaalsContact O-CA 3.26Å; S2026-D2030 WeakPolarHBondContact O-CA 3.38Å; S2026-D2030 WeakPolarHBondContact O-CB 3.38Å; S2026-D2030 PolarHBondContact O-N 3.12Å; S2026-D2030 PolarHBondContact OG-OD2 3.02Å; K2027-D2030 CarbonylContact O-C 3.35Å; K2027-D2030 PolarHBondContact O-N 3.18Å; I2028-D2030 PolarHBondContact O-N 3.49Å; I2028-D2030 VanDerWaalsContact O-N 3.14Å; D2030-Q2034 WeakPolarHBondContact O-CA 3.33Å; D2030-Q2034 WeakPolarHBondContact O-CB 3.31Å; D2030-Q2034 WeakPolarHBondContact O-CG 3.34Å; D2030-Q2034 PolarHBondContact O-N 3.2Å |
| 2031 | L | 66.8 | Low | 68 | Low | 89 Ų | 89 | 83.7 Ų | 83.7 | 47% | 0.466 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -97.2 | -1.7 | 165.6 | -70 | 164.2 | 0 | 0 | 0 | 110.9 | K2027 I2028 Q2034 K2035 | K2027-L2031 HydrophobicContact CB-CD1 4.18Å; K2027-L2031 HydrophobicContact CG-CD1 3.82Å; K2027-L2031 HydrophobicContact CG-CG 4.16Å; K2027-L2031 WeakPolarHBondContact O-CA 3.36Å; K2027-L2031 WeakPolarHBondContact O-CB 3.43Å; K2027-L2031 VanDerWaalsContact O-CD1 3.32Å; K2027-L2031 WeakPolarHBondContact O-CD1 3.33Å; K2027-L2031 WeakPolarHBondContact O-CG 3.14Å; K2027-L2031 PolarHBondContact O-N 3.5Å; I2028-L2031 CarbonylContact O-C 3.16Å; I2028-L2031 VanDerWaalsContact O-C 3.24Å; I2028-L2031 PolarHBondContact O-N 3.22Å; L2031-Q2034 CarbonylContact O-C 3.07Å; L2031-K2035 VanDerWaalsContact C-N 3.26Å; L2031-K2035 WeakPolarHBondContact O-CA 3.28Å; L2031-K2035 WeakPolarHBondContact O-CB 3.1Å; L2031-K2035 PolarHBondContact O-N 3.07Å |
| 2032 | E | 69 | Low | 68.3 | Low | 78 Ų | 78 | 81 Ų | 81 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -111.3 | -33.5 | 170.2 | -71.4 | 177.3 | 154.2 | 0 | 0 | 109.4 | I2028 Q2034 K2035 V2036 | I2028-E2032 VanDerWaalsContact CG2-CD 3.42Å; I2028-E2032 HydrophobicContact CG2-CG 3.96Å; I2028-E2032 WeakPolarHBondContact CG2-OE2 3.2Å; I2028-E2032 WeakPolarHBondContact O-CA 3.29Å; I2028-E2032 WeakPolarHBondContact O-CB 3.2Å; I2028-E2032 WeakPolarHBondContact O-CG 3.28Å; I2028-E2032 PolarHBondContact O-N 2.64Å; E2032-Q2034 VanDerWaalsContact C-N 3.35Å; E2032-K2035 CarbonylContact O-C 3.34Å; E2032-K2035 PolarHBondContact O-N 3.33Å; E2032-V2036 WeakPolarHBondContact O-CA 2.77Å; E2032-V2036 WeakPolarHBondContact O-CB 3.35Å; E2032-V2036 WeakPolarHBondContact O-CG2 3.35Å; E2032-V2036 PolarHBondContact O-N 2.87Å |
| 2033 | N | 67.2 | Low | 68 | Low | 46 Ų | 46 | 78.9 Ų | 78.9 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.6 | -33.7 | 155.1 | -65.7 | -40.5 | 0 | 0 | 0 | 109.2 | Q1454 K2029 Q2037 | Q1454-N2033 PolarHBondContact NE2-ND2 2.71Å; K2029-N2033 WeakPolarHBondContact O-CA 3.41Å; K2029-N2033 WeakPolarHBondContact O-CB 3.21Å; K2029-N2033 PolarHBondContact O-N 2.89Å; K2029-N2033 PolarHBondContact O-ND2 3.44Å; N2033-Q2037 WeakPolarHBondContact O-CA 2.88Å; N2033-Q2037 WeakPolarHBondContact O-CB 3.09Å; N2033-Q2037 WeakPolarHBondContact O-CG 3.2Å; N2033-Q2037 PolarHBondContact O-N 2.95Å |
| 2034 | Q | 71.6 | Confident | 67.9 | Low | 102 Ų | 102 | 81.6 Ų | 81.6 | 48% | 0.477 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -82.8 | -7.6 | 163.5 | -70.7 | 178.7 | -25.2 | 0 | 0 | 114.1 | D2030 L2031 E2032 L2038 | D2030-Q2034 WeakPolarHBondContact O-CA 3.33Å; D2030-Q2034 WeakPolarHBondContact O-CB 3.31Å; D2030-Q2034 WeakPolarHBondContact O-CG 3.34Å; D2030-Q2034 PolarHBondContact O-N 3.2Å; L2031-Q2034 CarbonylContact O-C 3.07Å; E2032-Q2034 VanDerWaalsContact C-N 3.35Å; Q2034-L2038 VanDerWaalsContact O-CA 3.25Å; Q2034-L2038 WeakPolarHBondContact O-CA 3.45Å; Q2034-L2038 WeakPolarHBondContact O-CB 3.32Å; Q2034-L2038 VanDerWaalsContact O-CD1 3.26Å; Q2034-L2038 WeakPolarHBondContact O-CD1 3.41Å; Q2034-L2038 WeakPolarHBondContact O-CG 3.25Å; Q2034-L2038 PolarHBondContact O-N 2.79Å |
| 2035 | K | 68.8 | Low | 67.9 | Low | 112 Ų | 112 | 77.6 Ų | 77.6 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -99.1 | -2 | 163.5 | 163.1 | -169.3 | 154.9 | -148.9 | 0 | 111.9 | L2031 E2032 N2039 | L2031-K2035 VanDerWaalsContact C-N 3.26Å; L2031-K2035 WeakPolarHBondContact O-CA 3.28Å; L2031-K2035 WeakPolarHBondContact O-CB 3.1Å; L2031-K2035 PolarHBondContact O-N 3.07Å; E2032-K2035 CarbonylContact O-C 3.34Å; E2032-K2035 PolarHBondContact O-N 3.33Å; K2035-N2039 VanDerWaalsContact C-N 3.32Å; K2035-N2039 WeakPolarHBondContact O-CA 3.12Å; K2035-N2039 WeakPolarHBondContact O-CB 3.25Å; K2035-N2039 PolarHBondContact O-N 2.7Å; K2035-N2039 PolarHBondContact O-ND2 2.76Å; K2035-N2039 PolarHBondContact O-OD1 3.42Å |
| 2036 | V | 68.6 | Low | 67.3 | Low | 72 Ų | 72 | 78.6 Ų | 78.6 | 44% | 0.436 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -107.2 | -25.7 | 168.8 | 171.3 | 0 | 0 | 0 | 0 | 109.8 | E2032 N2039 D2040 K2312 | E2032-V2036 WeakPolarHBondContact O-CA 2.77Å; E2032-V2036 WeakPolarHBondContact O-CB 3.35Å; E2032-V2036 WeakPolarHBondContact O-CG2 3.35Å; E2032-V2036 PolarHBondContact O-N 2.87Å; V2036-N2039 CarbonylContact O-C 3.58Å; V2036-D2040 WeakPolarHBondContact O-CA 3.33Å; V2036-D2040 WeakPolarHBondContact O-CB 3.49Å; V2036-D2040 PolarHBondContact O-N 3.46Å; V2036-K2312 PolarHBondContact O-NZ 3.21Å |
| 2037 | Q | 65.5 | Low | 67.1 | Low | 120 Ų | 120 | 79.1 Ų | 79.1 | 56% | 0.561 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -82.9 | -27.2 | 157.6 | -68.4 | 171.8 | -7.5 | 0 | 0 | 112.1 | N2033 D2040 S2041 | N2033-Q2037 WeakPolarHBondContact O-CA 2.88Å; N2033-Q2037 WeakPolarHBondContact O-CB 3.09Å; N2033-Q2037 WeakPolarHBondContact O-CG 3.2Å; N2033-Q2037 PolarHBondContact O-N 2.95Å; Q2037-D2040 CarbonylContact O-C 3.59Å; Q2037-S2041 WeakPolarHBondContact O-CA 3.42Å; Q2037-S2041 WeakPolarHBondContact O-CB 3.39Å; Q2037-S2041 PolarHBondContact O-N 3.18Å; Q2037-S2041 PolarHBondContact O-OG 3.47Å; Q2037-S2041 VanDerWaalsContact O-OG 3.06Å |
| 2038 | L | 63 | Low | 66.9 | Low | 97 Ų | 97 | 75.8 Ų | 75.8 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -82.3 | -31.1 | 160.7 | -72.1 | 163.1 | 0 | 0 | 0 | 110.7 | Q2034 D2040 S2041 I2042 | Q2034-L2038 VanDerWaalsContact O-CA 3.25Å; Q2034-L2038 WeakPolarHBondContact O-CA 3.45Å; Q2034-L2038 WeakPolarHBondContact O-CB 3.32Å; Q2034-L2038 VanDerWaalsContact O-CD1 3.26Å; Q2034-L2038 WeakPolarHBondContact O-CD1 3.41Å; Q2034-L2038 WeakPolarHBondContact O-CG 3.25Å; Q2034-L2038 PolarHBondContact O-N 2.79Å; L2038-D2040 PolarHBondContact O-N 3.2Å; L2038-S2041 CarbonylContact O-C 2.68Å; L2038-S2041 VanDerWaalsContact O-C 3.3Å; L2038-S2041 PolarHBondContact O-N 2.82Å; L2038-I2042 HydrophobicContact CB-CD1 3.98Å; L2038-I2042 VanDerWaalsContact O-CA 3.24Å; L2038-I2042 WeakPolarHBondContact O-CA 3.16Å; L2038-I2042 WeakPolarHBondContact O-CB 2.64Å; L2038-I2042 WeakPolarHBondContact O-CD1 3.23Å; L2038-I2042 WeakPolarHBondContact O-CG1 3.05Å; L2038-I2042 PolarHBondContact O-N 3.14Å |
| 2039 | N | 60.5 | Low | 66.7 | Low | 73 Ų | 73 | 76.9 Ų | 76.9 | 39% | 0.39 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -77.1 | -9.8 | 165.2 | -71.1 | -10 | 0 | 0 | 0 | 112.1 | K2035 V2036 S2043 | K2035-N2039 VanDerWaalsContact C-N 3.32Å; K2035-N2039 WeakPolarHBondContact O-CA 3.12Å; K2035-N2039 WeakPolarHBondContact O-CB 3.25Å; K2035-N2039 PolarHBondContact O-N 2.7Å; K2035-N2039 PolarHBondContact O-ND2 2.76Å; K2035-N2039 PolarHBondContact O-OD1 3.42Å; V2036-N2039 CarbonylContact O-C 3.58Å; N2039-S2043 WeakPolarHBondContact O-CB 3.18Å; N2039-S2043 PolarHBondContact O-N 3.34Å; N2039-S2043 PolarHBondContact O-OG 2.73Å |
| 2040 | D | 66.7 | Low | 66 | Low | 65 Ų | 65 | 73.8 Ų | 73.8 | 35% | 0.348 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -85.8 | -39.4 | 160.6 | -84.1 | -38.4 | 0 | 0 | 0 | 109.4 | V2036 Q2037 L2038 I2042 S2043 E2044 K2312 | V2036-D2040 WeakPolarHBondContact O-CA 3.33Å; V2036-D2040 WeakPolarHBondContact O-CB 3.49Å; V2036-D2040 PolarHBondContact O-N 3.46Å; Q2037-D2040 CarbonylContact O-C 3.59Å; L2038-D2040 PolarHBondContact O-N 3.2Å; D2040-I2042 VanDerWaalsContact C-N 3.28Å; D2040-I2042 PolarHBondContact O-N 3.23Å; D2040-S2043 CarbonylContact O-C 3.6Å; D2040-S2043 PolarHBondContact O-N 3.47Å; D2040-E2044 VanDerWaalsContact O-CA 3.25Å; D2040-E2044 WeakPolarHBondContact O-CA 2.97Å; D2040-E2044 WeakPolarHBondContact O-CB 3.18Å; D2040-E2044 PolarHBondContact O-N 3.07Å; D2040-K2312 WeakPolarHBondContact OD1-CE 3.46Å; D2040-K2312 IonicContact OD1-NZ 2.64Å; D2040-K2312 PolarHBondContact OD1-NZ 2.79Å; D2040-K2312 IonicContact OD2-NZ 2.81Å; D2040-K2312 PolarHBondContact OD2-NZ 3.48Å |
| 2041 | S | 75.4 | Confident | 65.8 | Low | 56 Ų | 56 | 76.6 Ų | 76.6 | 39% | 0.392 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -83.2 | 4.2 | 173.9 | -61.8 | 0 | 0 | 0 | 0 | 114.4 | Q2037 L2038 A2045 | Q2037-S2041 WeakPolarHBondContact O-CA 3.42Å; Q2037-S2041 WeakPolarHBondContact O-CB 3.39Å; Q2037-S2041 PolarHBondContact O-N 3.18Å; Q2037-S2041 PolarHBondContact O-OG 3.47Å; Q2037-S2041 VanDerWaalsContact O-OG 3.06Å; L2038-S2041 CarbonylContact O-C 2.68Å; L2038-S2041 VanDerWaalsContact O-C 3.3Å; L2038-S2041 PolarHBondContact O-N 2.82Å; S2041-A2045 WeakPolarHBondContact O-CA 3.24Å; S2041-A2045 WeakPolarHBondContact O-CB 3.49Å; S2041-A2045 PolarHBondContact O-N 2.78Å |
| 2042 | I | 70.9 | Confident | 65.6 | Low | 73 Ų | 73 | 76 Ų | 76 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -4.5 | 168.3 | -57.6 | 161.4 | 0 | 0 | 0 | 108.4 | L2038 D2040 N2046 | L2038-I2042 HydrophobicContact CB-CD1 3.98Å; L2038-I2042 VanDerWaalsContact O-CA 3.24Å; L2038-I2042 WeakPolarHBondContact O-CA 3.16Å; L2038-I2042 WeakPolarHBondContact O-CB 2.64Å; L2038-I2042 WeakPolarHBondContact O-CD1 3.23Å; L2038-I2042 WeakPolarHBondContact O-CG1 3.05Å; L2038-I2042 PolarHBondContact O-N 3.14Å; D2040-I2042 VanDerWaalsContact C-N 3.28Å; D2040-I2042 PolarHBondContact O-N 3.23Å; I2042-N2046 VanDerWaalsContact C-N 3.31Å; I2042-N2046 WeakPolarHBondContact O-CA 3.46Å; I2042-N2046 WeakPolarHBondContact O-CB 2.66Å; I2042-N2046 PolarHBondContact O-N 2.82Å; I2042-N2046 PolarHBondContact O-ND2 3.38Å |
| 2043 | S | 64.2 | Low | 64.9 | Low | 23 Ų | 23 | 78 Ų | 78 | 16% | 0.161 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -29.6 | 152.5 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | N2039 D2040 N2046 L2047 | N2039-S2043 WeakPolarHBondContact O-CB 3.18Å; N2039-S2043 PolarHBondContact O-N 3.34Å; N2039-S2043 PolarHBondContact O-OG 2.73Å; D2040-S2043 CarbonylContact O-C 3.6Å; D2040-S2043 PolarHBondContact O-N 3.47Å; S2043-N2046 CarbonylContact O-C 3.52Å; S2043-N2046 PolarHBondContact O-N 3.35Å; S2043-L2047 WeakPolarHBondContact O-CA 3.25Å; S2043-L2047 WeakPolarHBondContact O-CB 3.31Å; S2043-L2047 WeakPolarHBondContact O-CD1 3.44Å; S2043-L2047 WeakPolarHBondContact O-CG 3.24Å; S2043-L2047 PolarHBondContact O-N 2.98Å |
| 2044 | E | 70.6 | Confident | 64.2 | Low | 119 Ų | 119 | 78.5 Ų | 78.5 | 56% | 0.556 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -86.6 | -25.1 | 172.9 | -173.6 | 177.7 | -119.6 | 0 | 0 | 109.8 | D2040 L2047 T2048 | D2040-E2044 VanDerWaalsContact O-CA 3.25Å; D2040-E2044 WeakPolarHBondContact O-CA 2.97Å; D2040-E2044 WeakPolarHBondContact O-CB 3.18Å; D2040-E2044 PolarHBondContact O-N 3.07Å; E2044-L2047 CarbonylContact O-C 3.44Å; E2044-T2048 WeakPolarHBondContact O-CB 3.5Å; E2044-T2048 VanDerWaalsContact O-CG2 3.28Å; E2044-T2048 WeakPolarHBondContact O-CG2 3.36Å; E2044-T2048 PolarHBondContact O-N 2.71Å; E2044-T2048 PolarHBondContact O-OG1 3.39Å |
| 2045 | A | 64.4 | Low | 63.7 | Low | 28 Ų | 28 | 77.3 Ų | 77.3 | 23% | 0.231 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -103.8 | 16.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 115 | S2041 T2048 L2049 | S2041-A2045 WeakPolarHBondContact O-CA 3.24Å; S2041-A2045 WeakPolarHBondContact O-CB 3.49Å; S2041-A2045 PolarHBondContact O-N 2.78Å; A2045-T2048 WeakPolarHBondContact CA-OG1 3.25Å; A2045-T2048 VanDerWaalsContact CB-OG1 3.27Å; A2045-T2048 WeakPolarHBondContact CB-OG1 3.45Å; A2045-L2049 WeakPolarHBondContact O-CB 3.42Å; A2045-L2049 WeakPolarHBondContact O-CD1 3.42Å; A2045-L2049 WeakPolarHBondContact O-CG 3.38Å; A2045-L2049 PolarHBondContact O-N 2.8Å |
| 2046 | N | 57.2 | Low | 63.1 | Low | 83 Ų | 83 | 73.7 Ų | 73.7 | 44% | 0.444 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -103.1 | -4 | 142.2 | -76.5 | -39.7 | 0 | 0 | 0 | 111.1 | I2042 S2043 L2049 A2050 | I2042-N2046 VanDerWaalsContact C-N 3.31Å; I2042-N2046 WeakPolarHBondContact O-CA 3.46Å; I2042-N2046 WeakPolarHBondContact O-CB 2.66Å; I2042-N2046 PolarHBondContact O-N 2.82Å; I2042-N2046 PolarHBondContact O-ND2 3.38Å; S2043-N2046 CarbonylContact O-C 3.52Å; S2043-N2046 PolarHBondContact O-N 3.35Å; N2046-L2049 CarbonylContact O-C 3.43Å; N2046-A2050 WeakPolarHBondContact O-CA 3.37Å; N2046-A2050 WeakPolarHBondContact O-CB 3.31Å; N2046-A2050 PolarHBondContact O-N 2.78Å |
| 2047 | L | 63.6 | Low | 62.3 | Low | 61 Ų | 61 | 74.8 Ų | 74.8 | 32% | 0.319 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -97 | -16.2 | 160.9 | -73.1 | 160.1 | 0 | 0 | 0 | 111 | S2043 E2044 R2051 | S2043-L2047 WeakPolarHBondContact O-CA 3.25Å; S2043-L2047 WeakPolarHBondContact O-CB 3.31Å; S2043-L2047 WeakPolarHBondContact O-CD1 3.44Å; S2043-L2047 WeakPolarHBondContact O-CG 3.24Å; S2043-L2047 PolarHBondContact O-N 2.98Å; E2044-L2047 CarbonylContact O-C 3.44Å; L2047-R2051 WeakPolarHBondContact O-CA 3.25Å; L2047-R2051 WeakPolarHBondContact O-CB 3.32Å; L2047-R2051 WeakPolarHBondContact O-CD 3.28Å; L2047-R2051 WeakPolarHBondContact O-CG 3.02Å; L2047-R2051 PolarHBondContact O-N 3.3Å |
| 2048 | T | 66.1 | Low | 62.3 | Low | 49 Ų | 49 | 72.2 Ų | 72.2 | 30% | 0.301 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -105.3 | -3.6 | 159.4 | 70.4 | 0 | 0 | 0 | 0 | 112.7 | E2044 A2045 I2052 | E2044-T2048 WeakPolarHBondContact O-CB 3.5Å; E2044-T2048 VanDerWaalsContact O-CG2 3.28Å; E2044-T2048 WeakPolarHBondContact O-CG2 3.36Å; E2044-T2048 PolarHBondContact O-N 2.71Å; E2044-T2048 PolarHBondContact O-OG1 3.39Å; A2045-T2048 WeakPolarHBondContact CA-OG1 3.25Å; A2045-T2048 VanDerWaalsContact CB-OG1 3.27Å; A2045-T2048 WeakPolarHBondContact CB-OG1 3.45Å; T2048-I2052 WeakPolarHBondContact O-CA 3.3Å; T2048-I2052 WeakPolarHBondContact O-CB 3.23Å; T2048-I2052 WeakPolarHBondContact O-CD1 3.23Å; T2048-I2052 WeakPolarHBondContact O-CG1 3.11Å; T2048-I2052 PolarHBondContact O-N 2.9Å |
| 2049 | L | 64.8 | Low | 62.1 | Low | 89 Ų | 89 | 67.7 Ų | 67.7 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -100.8 | 14.1 | 146.4 | -63.3 | 169.4 | 0 | 0 | 0 | 112 | A2045 N2046 K2053 | A2045-L2049 WeakPolarHBondContact O-CB 3.42Å; A2045-L2049 WeakPolarHBondContact O-CD1 3.42Å; A2045-L2049 WeakPolarHBondContact O-CG 3.38Å; A2045-L2049 PolarHBondContact O-N 2.8Å; N2046-L2049 CarbonylContact O-C 3.43Å; L2049-K2053 WeakPolarHBondContact O-CB 3.49Å; L2049-K2053 WeakPolarHBondContact O-CD 3.26Å; L2049-K2053 WeakPolarHBondContact O-CG 3.37Å; L2049-K2053 PolarHBondContact O-N 2.7Å |
| 2050 | A | 50.6 | Low | 62 | Low | 47 Ų | 47 | 65 Ų | 65 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -112.3 | -26.5 | 156.3 | 0 | 0 | 0 | 0 | 0 | 112 | N2046 A2054 | N2046-A2050 WeakPolarHBondContact O-CA 3.37Å; N2046-A2050 WeakPolarHBondContact O-CB 3.31Å; N2046-A2050 PolarHBondContact O-N 2.78Å; A2050-A2054 WeakPolarHBondContact O-CB 3.43Å; A2050-A2054 PolarHBondContact O-N 3.14Å |
| 2051 | R | 67.2 | Low | 61.3 | Low | 127 Ų | 127 | 66.6 Ų | 66.6 | 48% | 0.479 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.5 | -53.3 | 157.8 | -69.8 | 167.2 | -166.6 | 162.7 | 4.3 | 109.8 | L2047 K2053 A2054 E2055 | L2047-R2051 WeakPolarHBondContact O-CA 3.25Å; L2047-R2051 WeakPolarHBondContact O-CB 3.32Å; L2047-R2051 WeakPolarHBondContact O-CD 3.28Å; L2047-R2051 WeakPolarHBondContact O-CG 3.02Å; L2047-R2051 PolarHBondContact O-N 3.3Å; R2051-K2053 CarbonylContact O-C 2.79Å; R2051-K2053 PolarHBondContact O-N 2.79Å; R2051-K2053 VanDerWaalsContact O-N 3.07Å; R2051-A2054 CarbonylContact O-C 2.92Å; R2051-A2054 VanDerWaalsContact O-CA 3.25Å; R2051-A2054 WeakPolarHBondContact O-CA 2.97Å; R2051-A2054 PolarHBondContact O-N 3Å; R2051-E2055 WeakPolarHBondContact O-CA 3.29Å; R2051-E2055 WeakPolarHBondContact O-CB 3.03Å; R2051-E2055 WeakPolarHBondContact O-CG 2.86Å; R2051-E2055 PolarHBondContact O-N 3.23Å |
| 2052 | I | 62.1 | Low | 60.4 | Low | 75 Ų | 75 | 66.8 Ų | 66.8 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -78.2 | 14.8 | 167.3 | -36.2 | 157.6 | 0 | 0 | 0 | 112.7 | T2048 E2055 S2056 | T2048-I2052 WeakPolarHBondContact O-CA 3.3Å; T2048-I2052 WeakPolarHBondContact O-CB 3.23Å; T2048-I2052 WeakPolarHBondContact O-CD1 3.23Å; T2048-I2052 WeakPolarHBondContact O-CG1 3.11Å; T2048-I2052 PolarHBondContact O-N 2.9Å; I2052-E2055 VanDerWaalsContact CG1-OE2 3.26Å; I2052-E2055 WeakPolarHBondContact CG1-OE2 3.2Å; I2052-E2055 PolarHBondContact N-OE2 2.87Å; I2052-S2056 WeakPolarHBondContact O-CB 2.99Å; I2052-S2056 PolarHBondContact O-N 2.71Å |
| 2053 | K | 54.8 | Low | 59.5 | Low | 121 Ų | 121 | 63.5 Ų | 63.5 | 53% | 0.526 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -93.1 | -51.1 | 142.4 | -82.5 | 170.6 | -163.1 | 170.5 | 0 | 110.7 | L2049 R2051 E2055 S2056 E2057 | L2049-K2053 WeakPolarHBondContact O-CB 3.49Å; L2049-K2053 WeakPolarHBondContact O-CD 3.26Å; L2049-K2053 WeakPolarHBondContact O-CG 3.37Å; L2049-K2053 PolarHBondContact O-N 2.7Å; R2051-K2053 CarbonylContact O-C 2.79Å; R2051-K2053 PolarHBondContact O-N 2.79Å; R2051-K2053 VanDerWaalsContact O-N 3.07Å; K2053-E2055 PolarHBondContact O-N 2.88Å; K2053-S2056 CarbonylContact O-C 3.59Å; K2053-S2056 WeakPolarHBondContact O-CA 3.18Å; K2053-S2056 PolarHBondContact O-N 2.88Å; K2053-S2056 VanDerWaalsContact O-N 3.11Å; K2053-E2057 VanDerWaalsContact O-CA 3.25Å; K2053-E2057 WeakPolarHBondContact O-CA 3.48Å; K2053-E2057 WeakPolarHBondContact O-CB 3.19Å; K2053-E2057 WeakPolarHBondContact O-CG 3.31Å; K2053-E2057 PolarHBondContact O-N 2.91Å |
| 2054 | A | 51.6 | Low | 59 | Low | 57 Ų | 57 | 68.9 Ų | 68.9 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64 | 3.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | A2050 R2051 S2058 | A2050-A2054 WeakPolarHBondContact O-CB 3.43Å; A2050-A2054 PolarHBondContact O-N 3.14Å; R2051-A2054 CarbonylContact O-C 2.92Å; R2051-A2054 VanDerWaalsContact O-CA 3.25Å; R2051-A2054 WeakPolarHBondContact O-CA 2.97Å; R2051-A2054 PolarHBondContact O-N 3Å; A2054-S2058 WeakPolarHBondContact O-CA 3.26Å; A2054-S2058 WeakPolarHBondContact O-CB 3.1Å; A2054-S2058 PolarHBondContact O-N 3.24Å |
| 2055 | E | 61.9 | Low | 58 | Low | 77 Ų | 77 | 67.1 Ų | 67.1 | 36% | 0.36 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | -27.7 | 177 | -59.1 | 154.7 | 171 | 0 | 0 | 108.6 | R2051 I2052 K2053 E2057 S2059 | R2051-E2055 WeakPolarHBondContact O-CA 3.29Å; R2051-E2055 WeakPolarHBondContact O-CB 3.03Å; R2051-E2055 WeakPolarHBondContact O-CG 2.86Å; R2051-E2055 PolarHBondContact O-N 3.23Å; I2052-E2055 VanDerWaalsContact CG1-OE2 3.26Å; I2052-E2055 WeakPolarHBondContact CG1-OE2 3.2Å; I2052-E2055 PolarHBondContact N-OE2 2.87Å; K2053-E2055 PolarHBondContact O-N 2.88Å; E2055-E2057 PolarHBondContact O-N 2.84Å; E2055-S2059 WeakPolarHBondContact O-CA 3.13Å; E2055-S2059 WeakPolarHBondContact O-CB 3.28Å; E2055-S2059 PolarHBondContact O-N 2.71Å |
| 2056 | S | 54.9 | Low | 57.4 | Low | 35 Ų | 35 | 69.5 Ų | 69.5 | 25% | 0.245 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -6.7 | 149.6 | -173.1 | 0 | 0 | 0 | 0 | 112 | Q1409 I2052 K2053 S2060 | Q1409-S2056 PolarHBondContact NE2-OG 3.03Å; I2052-S2056 WeakPolarHBondContact O-CB 2.99Å; I2052-S2056 PolarHBondContact O-N 2.71Å; K2053-S2056 CarbonylContact O-C 3.59Å; K2053-S2056 WeakPolarHBondContact O-CA 3.18Å; K2053-S2056 PolarHBondContact O-N 2.88Å; K2053-S2056 VanDerWaalsContact O-N 3.11Å; S2056-S2060 VanDerWaalsContact C-N 3.31Å; S2056-S2060 VanDerWaalsContact O-CA 3.28Å; S2056-S2060 WeakPolarHBondContact O-CA 2.99Å; S2056-S2060 WeakPolarHBondContact O-CB 3.38Å; S2056-S2060 PolarHBondContact O-N 3.46Å |
| 2057 | E | 51.5 | Low | 57.2 | Low | 95 Ų | 95 | 66.3 Ų | 66.3 | 44% | 0.444 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | -11.3 | -179.1 | -63.9 | 173.1 | 137.4 | 0 | 0 | 110.2 | K2053 E2055 N2061 | K2053-E2057 VanDerWaalsContact O-CA 3.25Å; K2053-E2057 WeakPolarHBondContact O-CA 3.48Å; K2053-E2057 WeakPolarHBondContact O-CB 3.19Å; K2053-E2057 WeakPolarHBondContact O-CG 3.31Å; K2053-E2057 PolarHBondContact O-N 2.91Å; E2055-E2057 PolarHBondContact O-N 2.84Å; E2057-N2061 WeakPolarHBondContact O-CA 3.27Å; E2057-N2061 WeakPolarHBondContact O-CB 3.14Å; E2057-N2061 PolarHBondContact O-N 2.94Å; E2057-N2061 PolarHBondContact O-ND2 2.65Å |
| 2058 | S | 66.2 | Low | 56.6 | Low | 66 Ų | 66 | 67.6 Ų | 67.6 | 46% | 0.462 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -76.7 | -43.9 | 150.3 | -172.5 | 0 | 0 | 0 | 0 | 108 | A2054 N2061 L2062 | A2054-S2058 WeakPolarHBondContact O-CA 3.26Å; A2054-S2058 WeakPolarHBondContact O-CB 3.1Å; A2054-S2058 PolarHBondContact O-N 3.24Å; S2058-N2061 CarbonylContact O-C 3.48Å; S2058-N2061 PolarHBondContact O-N 2.64Å; S2058-L2062 VanDerWaalsContact O-CA 3.29Å; S2058-L2062 WeakPolarHBondContact O-CA 3.32Å; S2058-L2062 WeakPolarHBondContact O-CB 3.06Å; S2058-L2062 PolarHBondContact O-N 3.13Å |
| 2059 | S | 59.2 | Low | 56 | Low | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.014 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74.4 | -25.6 | 165.5 | -69.6 | 0 | 0 | 0 | 0 | 114.2 | K1405 E1412 E2055 L2063 | K1405-S2059 WeakPolarHBondContact CE-O 3.29Å; K1405-S2059 WeakPolarHBondContact CG-O 3.34Å; E1412-S2059 VanDerWaalsContact CD-OG 3.28Å; E1412-S2059 PolarHBondContact OE1-OG 3.24Å; E1412-S2059 WeakPolarHBondContact OE2-CB 3.22Å; E1412-S2059 PolarHBondContact OE2-OG 3.21Å; E2055-S2059 WeakPolarHBondContact O-CA 3.13Å; E2055-S2059 WeakPolarHBondContact O-CB 3.28Å; E2055-S2059 PolarHBondContact O-N 2.71Å; S2059-L2063 WeakPolarHBondContact O-CA 3.33Å; S2059-L2063 VanDerWaalsContact O-CD1 3.24Å; S2059-L2063 WeakPolarHBondContact O-CD1 3.14Å; S2059-L2063 PolarHBondContact O-N 2.66Å |
| 2060 | S | 59.1 | Low | 55 | Low | 16 Ų | 16 | 64.7 Ų | 64.7 | 11% | 0.112 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -82.2 | -10.2 | 164.3 | -163.2 | 0 | 0 | 0 | 0 | 114.4 | K1405 S2056 R2064 | K1405-S2060 PolarHBondContact NZ-OG 2.96Å; S2056-S2060 VanDerWaalsContact C-N 3.31Å; S2056-S2060 VanDerWaalsContact O-CA 3.28Å; S2056-S2060 WeakPolarHBondContact O-CA 2.99Å; S2056-S2060 WeakPolarHBondContact O-CB 3.38Å; S2056-S2060 PolarHBondContact O-N 3.46Å; S2060-R2064 VanDerWaalsContact O-CA 3.27Å; S2060-R2064 WeakPolarHBondContact O-CA 3.45Å; S2060-R2064 WeakPolarHBondContact O-CB 3.02Å; S2060-R2064 WeakPolarHBondContact O-CD 3.49Å; S2060-R2064 WeakPolarHBondContact O-CG 3.16Å; S2060-R2064 PolarHBondContact O-N 3.03Å |
| 2061 | N | 50.3 | Low | 54.8 | Low | 99 Ų | 99 | 64.7 Ų | 64.7 | 53% | 0.529 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -104.5 | -5.1 | 164.5 | -59.2 | -23.2 | 0 | 0 | 0 | 112.5 | E2057 S2058 Q2065 | E2057-N2061 WeakPolarHBondContact O-CA 3.27Å; E2057-N2061 WeakPolarHBondContact O-CB 3.14Å; E2057-N2061 PolarHBondContact O-N 2.94Å; E2057-N2061 PolarHBondContact O-ND2 2.65Å; S2058-N2061 CarbonylContact O-C 3.48Å; S2058-N2061 PolarHBondContact O-N 2.64Å; N2061-Q2065 VanDerWaalsContact C-N 3.32Å; N2061-Q2065 WeakPolarHBondContact O-CA 3.47Å; N2061-Q2065 WeakPolarHBondContact O-CB 3.25Å; N2061-Q2065 PolarHBondContact O-N 3.35Å |
| 2062 | L | 57.7 | Low | 54 | Low | 60 Ų | 60 | 59.3 Ų | 59.3 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -99.9 | -21.3 | 170.8 | -178.6 | 58.8 | 0 | 0 | 0 | 110.2 | S2058 K2066 | S2058-L2062 VanDerWaalsContact O-CA 3.29Å; S2058-L2062 WeakPolarHBondContact O-CA 3.32Å; S2058-L2062 WeakPolarHBondContact O-CB 3.06Å; S2058-L2062 PolarHBondContact O-N 3.13Å; L2062-K2066 WeakPolarHBondContact O-CB 2.93Å; L2062-K2066 WeakPolarHBondContact O-CG 2.98Å; L2062-K2066 PolarHBondContact O-N 3.04Å |
| 2063 | L | 52.4 | Low | 53.3 | Low | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | 24.7 | 161.3 | -39.2 | 92.4 | 0 | 0 | 0 | 114.2 | Q1401 L1404 K1405 R1408 S2059 K2066 N2067 | Q1401-L2063 WeakPolarHBondContact O-CB 3.16Å; Q1401-L2063 VanDerWaalsContact O-CD2 3.26Å; Q1401-L2063 WeakPolarHBondContact O-CD2 3.01Å; L1404-L2063 HydrophobicContact CB-CD2 3.57Å; L1404-L2063 WeakPolarHBondContact O-CD2 3.41Å; K1405-L2063 HydrophobicContact CB-CB 4.05Å; K1405-L2063 HydrophobicContact CB-CD1 4.17Å; K1405-L2063 WeakPolarHBondContact CE-O 3.34Å; K1405-L2063 HydrophobicContact CG-CB 4.35Å; K1405-L2063 HydrophobicContact CG-CD1 4.14Å; K1405-L2063 VanDerWaalsContact NZ-C 3.35Å; K1405-L2063 PolarHBondContact NZ-O 2.77Å; R1408-L2063 HydrophobicContact CB-CD1 3.9Å; R1408-L2063 HydrophobicContact CG-CD1 4.45Å; S2059-L2063 WeakPolarHBondContact O-CA 3.33Å; S2059-L2063 VanDerWaalsContact O-CD1 3.24Å; S2059-L2063 WeakPolarHBondContact O-CD1 3.14Å; S2059-L2063 PolarHBondContact O-N 2.66Å; L2063-K2066 HydrophobicContact CB-CB 3.81Å; L2063-K2066 HydrophobicContact CD2-CB 4Å; L2063-K2066 HydrophobicContact CD2-CG 4.43Å; L2063-K2066 HydrophobicContact CG-CB 3.79Å; L2063-K2066 HydrophobicContact CG-CG 4.25Å; L2063-N2067 WeakPolarHBondContact O-CB 3.38Å; L2063-N2067 PolarHBondContact O-N 2.95Å |
| 2064 | R | 53.8 | Low | 52.6 | Low | 136 Ų | 136 | 53.8 Ų | 53.8 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | -103.6 | 4.6 | 123 | -62.6 | 165.9 | 165.1 | 155.3 | -9.9 | 111.3 | S2060 I2068 | S2060-R2064 VanDerWaalsContact O-CA 3.27Å; S2060-R2064 WeakPolarHBondContact O-CA 3.45Å; S2060-R2064 WeakPolarHBondContact O-CB 3.02Å; S2060-R2064 WeakPolarHBondContact O-CD 3.49Å; S2060-R2064 WeakPolarHBondContact O-CG 3.16Å; S2060-R2064 PolarHBondContact O-N 3.03Å; R2064-I2068 VanDerWaalsContact C-N 3.34Å; R2064-I2068 HydrophobicContact CB-CD1 3.98Å; R2064-I2068 HydrophobicContact CB-CG1 4.18Å; R2064-I2068 VanDerWaalsContact O-CA 3.24Å; R2064-I2068 WeakPolarHBondContact O-CA 3.36Å; R2064-I2068 WeakPolarHBondContact O-CB 3.14Å; R2064-I2068 VanDerWaalsContact O-CD1 3.31Å; R2064-I2068 WeakPolarHBondContact O-CD1 3.04Å; R2064-I2068 WeakPolarHBondContact O-CG1 3.36Å; R2064-I2068 PolarHBondContact O-N 2.72Å | |
| 2065 | Q | 48.1 | Very low | 52.1 | Low | 81 Ų | 81 | 51.4 Ų | 51.4 | 38% | 0.379 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -33.1 | 154 | 176.8 | -172.9 | -16.1 | 0 | 0 | 109.3 | N2061 I2068 E2069 | N2061-Q2065 VanDerWaalsContact C-N 3.32Å; N2061-Q2065 WeakPolarHBondContact O-CA 3.47Å; N2061-Q2065 WeakPolarHBondContact O-CB 3.25Å; N2061-Q2065 PolarHBondContact O-N 3.35Å; Q2065-I2068 CarbonylContact O-C 2.77Å; Q2065-E2069 HydrophobicContact CG-CG 4.26Å; Q2065-E2069 VanDerWaalsContact CG-OE1 3.3Å; Q2065-E2069 WeakPolarHBondContact CG-OE1 3.48Å; Q2065-E2069 PolarHBondContact NE2-OE1 3.22Å; Q2065-E2069 WeakPolarHBondContact O-CA 3.43Å; Q2065-E2069 WeakPolarHBondContact O-CB 3.22Å; Q2065-E2069 WeakPolarHBondContact O-CG 3.3Å; Q2065-E2069 PolarHBondContact O-N 3.31Å |
| 2066 | K | 51.8 | Low | 51.4 | Low | 78 Ų | 78 | 51.9 Ų | 51.9 | 34% | 0.339 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -51.5 | 163.8 | -72.9 | -72.7 | 171.2 | -158.9 | 0 | 110.3 | Q1401 L2062 L2063 I2068 E2069 C2070 | Q1401-K2066 HydrophobicContact CB-CB 3.78Å; Q1401-K2066 HydrophobicContact CG-CB 3.95Å; Q1401-K2066 VanDerWaalsContact OE1-CA 3.22Å; Q1401-K2066 PolarHBondContact OE1-O 3.5Å; L2062-K2066 WeakPolarHBondContact O-CB 2.93Å; L2062-K2066 WeakPolarHBondContact O-CG 2.98Å; L2062-K2066 PolarHBondContact O-N 3.04Å; L2063-K2066 HydrophobicContact CB-CB 3.81Å; L2063-K2066 HydrophobicContact CD2-CB 4Å; L2063-K2066 HydrophobicContact CD2-CG 4.43Å; L2063-K2066 HydrophobicContact CG-CB 3.79Å; L2063-K2066 HydrophobicContact CG-CG 4.25Å; K2066-I2068 VanDerWaalsContact C-N 3.35Å; K2066-I2068 PolarHBondContact O-N 2.81Å; K2066-E2069 WeakPolarHBondContact CD-OE2 3.48Å; K2066-E2069 VanDerWaalsContact CE-OE2 3.24Å; K2066-E2069 WeakPolarHBondContact CE-OE2 3.13Å; K2066-E2069 IonicContact NZ-OE2 3.48Å; K2066-E2069 PolarHBondContact NZ-OE2 2.99Å; K2066-E2069 CarbonylContact O-C 3.16Å; K2066-E2069 VanDerWaalsContact O-C 3.3Å; K2066-E2069 WeakPolarHBondContact O-CA 3.39Å; K2066-E2069 PolarHBondContact O-N 2.68Å; K2066-C2070 WeakPolarHBondContact O-CB 3.42Å; K2066-C2070 PolarHBondContact O-N 2.67Å |
| 2067 | N | 53.5 | Low | 50.7 | Low | 17 Ų | 17 | 53.4 Ų | 53.4 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -32.8 | 167.2 | -110.8 | 64.5 | 0 | 0 | 0 | 113.8 | S1399 Q1401 S1402 L2063 E2069 C2070 D2071 | S1399-N2067 PolarHBondContact O-OD1 2.71Å; Q1401-N2067 VanDerWaalsContact CA-OD1 3.26Å; Q1401-N2067 WeakPolarHBondContact CA-OD1 3.46Å; Q1401-N2067 VanDerWaalsContact CB-OD1 3.28Å; Q1401-N2067 WeakPolarHBondContact CB-OD1 3.14Å; Q1401-N2067 PolarHBondContact N-OD1 3.23Å; S1402-N2067 PolarHBondContact N-OD1 2.79Å; L2063-N2067 WeakPolarHBondContact O-CB 3.38Å; L2063-N2067 PolarHBondContact O-N 2.95Å; N2067-E2069 PolarHBondContact O-N 2.87Å; N2067-C2070 CarbonylContact O-C 3.01Å; N2067-C2070 PolarHBondContact O-N 2.74Å; N2067-C2070 VanDerWaalsContact O-N 3.09Å; N2067-D2071 WeakPolarHBondContact CB-OD2 3.33Å; N2067-D2071 PolarHBondContact ND2-OD1 3.02Å; N2067-D2071 PolarHBondContact ND2-OD2 3.29Å; N2067-D2071 CarbonylContact O-C 3.3Å; N2067-D2071 WeakPolarHBondContact O-CA 3.34Å; N2067-D2071 WeakPolarHBondContact O-CB 2.97Å; N2067-D2071 PolarHBondContact O-N 3.24Å |
| 2068 | I | 50.5 | Low | 50.1 | Low | 88 Ų | 88 | 49 Ų | 49 | 45% | 0.451 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -95.9 | 39.2 | 168.4 | -45.1 | 162.3 | 0 | 0 | 0 | 110.8 | R2064 Q2065 K2066 A2072 | R2064-I2068 VanDerWaalsContact C-N 3.34Å; R2064-I2068 HydrophobicContact CB-CD1 3.98Å; R2064-I2068 HydrophobicContact CB-CG1 4.18Å; R2064-I2068 VanDerWaalsContact O-CA 3.24Å; R2064-I2068 WeakPolarHBondContact O-CA 3.36Å; R2064-I2068 WeakPolarHBondContact O-CB 3.14Å; R2064-I2068 VanDerWaalsContact O-CD1 3.31Å; R2064-I2068 WeakPolarHBondContact O-CD1 3.04Å; R2064-I2068 WeakPolarHBondContact O-CG1 3.36Å; R2064-I2068 PolarHBondContact O-N 2.72Å; Q2065-I2068 CarbonylContact O-C 2.77Å; K2066-I2068 VanDerWaalsContact C-N 3.35Å; K2066-I2068 PolarHBondContact O-N 2.81Å; I2068-A2072 HydrophobicContact CB-CB 4.42Å; I2068-A2072 HydrophobicContact CG2-CB 3.66Å; I2068-A2072 WeakPolarHBondContact O-CB 3.15Å |
| 2069 | E | 53.7 | Low | 49 | Very low | 60 Ų | 60 | 49 Ų | 49 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -133.1 | -6.4 | 154.5 | -79.5 | 167.5 | -164.7 | 0 | 0 | 108.6 | Q2065 K2066 N2067 A2073 | Q2065-E2069 HydrophobicContact CG-CG 4.26Å; Q2065-E2069 VanDerWaalsContact CG-OE1 3.3Å; Q2065-E2069 WeakPolarHBondContact CG-OE1 3.48Å; Q2065-E2069 PolarHBondContact NE2-OE1 3.22Å; Q2065-E2069 WeakPolarHBondContact O-CA 3.43Å; Q2065-E2069 WeakPolarHBondContact O-CB 3.22Å; Q2065-E2069 WeakPolarHBondContact O-CG 3.3Å; Q2065-E2069 PolarHBondContact O-N 3.31Å; K2066-E2069 WeakPolarHBondContact CD-OE2 3.48Å; K2066-E2069 VanDerWaalsContact CE-OE2 3.24Å; K2066-E2069 WeakPolarHBondContact CE-OE2 3.13Å; K2066-E2069 IonicContact NZ-OE2 3.48Å; K2066-E2069 PolarHBondContact NZ-OE2 2.99Å; K2066-E2069 CarbonylContact O-C 3.16Å; K2066-E2069 VanDerWaalsContact O-C 3.3Å; K2066-E2069 WeakPolarHBondContact O-CA 3.39Å; K2066-E2069 PolarHBondContact O-N 2.68Å; N2067-E2069 PolarHBondContact O-N 2.87Å; E2069-A2073 VanDerWaalsContact C-N 3.33Å; E2069-A2073 VanDerWaalsContact O-CB 3.28Å; E2069-A2073 WeakPolarHBondContact O-CB 3Å; E2069-A2073 PolarHBondContact O-N 2.96Å |
| 2070 | C | 43.6 | Very low | 48.2 | Very low | 17 Ų | 17 | 54.8 Ų | 54.8 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -106.2 | -64.6 | 172.8 | -149.2 | 0 | 0 | 0 | 0 | 109.1 | N1398 S1399 Q1401 K2066 N2067 A2072 A2073 L2074 | N1398-C2070 CarbonylContact O-C 3.13Å; S1399-C2070 PolarHBondContact O-SG 2.94Å; S1399-C2070 VanDerWaalsContact O-SG 3.36Å; Q1401-C2070 HydrophobicContact CB-CB 4.49Å; K2066-C2070 WeakPolarHBondContact O-CB 3.42Å; K2066-C2070 PolarHBondContact O-N 2.67Å; N2067-C2070 CarbonylContact O-C 3.01Å; N2067-C2070 PolarHBondContact O-N 2.74Å; N2067-C2070 VanDerWaalsContact O-N 3.09Å; C2070-A2072 PolarHBondContact O-N 2.81Å; C2070-A2073 CarbonylContact O-C 3.51Å; C2070-A2073 WeakPolarHBondContact O-CA 3.42Å; C2070-A2073 WeakPolarHBondContact O-CB 3.3Å; C2070-A2073 PolarHBondContact O-N 3.35Å; C2070-L2074 WeakPolarHBondContact O-CA 3.44Å; C2070-L2074 WeakPolarHBondContact O-CB 3.41Å; C2070-L2074 WeakPolarHBondContact O-CD1 3.19Å; C2070-L2074 VanDerWaalsContact O-CG 3.32Å; C2070-L2074 WeakPolarHBondContact O-CG 3.49Å; C2070-L2074 PolarHBondContact O-N 3.47Å |
| 2071 | D | 46.2 | Very low | 47.5 | Very low | 47 Ų | 47 | 56 Ų | 56 | 25% | 0.251 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56 | -1.1 | 149.5 | -31.5 | -37.3 | 0 | 0 | 0 | 113.2 | N2067 A2075 | N2067-D2071 WeakPolarHBondContact CB-OD2 3.33Å; N2067-D2071 PolarHBondContact ND2-OD1 3.02Å; N2067-D2071 PolarHBondContact ND2-OD2 3.29Å; N2067-D2071 CarbonylContact O-C 3.3Å; N2067-D2071 WeakPolarHBondContact O-CA 3.34Å; N2067-D2071 WeakPolarHBondContact O-CB 2.97Å; N2067-D2071 PolarHBondContact O-N 3.24Å; D2071-A2075 CarbonylContact O-C 3.21Å; D2071-A2075 WeakPolarHBondContact O-CA 3.23Å; D2071-A2075 WeakPolarHBondContact O-CB 3.25Å; D2071-A2075 PolarHBondContact O-N 3.17Å |
| 2072 | A | 50.3 | Low | 47.3 | Very low | 14 Ų | 14 | 51.4 Ų | 51.4 | 12% | 0.116 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -125.4 | 15.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | I2068 C2070 D2076 | I2068-A2072 HydrophobicContact CB-CB 4.42Å; I2068-A2072 HydrophobicContact CG2-CB 3.66Å; I2068-A2072 WeakPolarHBondContact O-CB 3.15Å; C2070-A2072 PolarHBondContact O-N 2.81Å; A2072-D2076 WeakPolarHBondContact O-CB 3.44Å |
| 2073 | A | 49 | Very low | 46.3 | Very low | 52 Ų | 52 | 51.8 Ų | 51.8 | 43% | 0.43 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -85.4 | -22.5 | 141 | 0 | 0 | 0 | 0 | 0 | 109.9 | E2069 C2070 D2076 C2077 | E2069-A2073 VanDerWaalsContact C-N 3.33Å; E2069-A2073 VanDerWaalsContact O-CB 3.28Å; E2069-A2073 WeakPolarHBondContact O-CB 3Å; E2069-A2073 PolarHBondContact O-N 2.96Å; C2070-A2073 CarbonylContact O-C 3.51Å; C2070-A2073 WeakPolarHBondContact O-CA 3.42Å; C2070-A2073 WeakPolarHBondContact O-CB 3.3Å; C2070-A2073 PolarHBondContact O-N 3.35Å; A2073-D2076 WeakPolarHBondContact O-CB 3.18Å; A2073-C2077 WeakPolarHBondContact O-CB 3.09Å; A2073-C2077 PolarHBondContact O-N 2.94Å |
| 2074 | L | 39.9 | Very low | 46.1 | Very low | 28 Ų | 28 | 54.1 Ų | 54.1 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -120.6 | -27.9 | -162.8 | -68.1 | 159.2 | 0 | 0 | 0 | 113.7 | K1397 N1398 C2070 D2076 C2077 D2078 | K1397-L2074 HydrophobicContact CB-CB 3.95Å; K1397-L2074 HydrophobicContact CB-CD1 4.29Å; K1397-L2074 HydrophobicContact CB-CD2 3.89Å; K1397-L2074 HydrophobicContact CB-CG 4.25Å; K1397-L2074 HydrophobicContact CD-CD2 3.89Å; K1397-L2074 PolarHBondContact NZ-O 3.06Å; K1397-L2074 WeakPolarHBondContact O-CB 3.2Å; N1398-L2074 HydrophobicContact CB-CD1 3.54Å; N1398-L2074 WeakPolarHBondContact ND2-CD1 3.27Å; N1398-L2074 WeakPolarHBondContact O-CD1 3.34Å; C2070-L2074 WeakPolarHBondContact O-CA 3.44Å; C2070-L2074 WeakPolarHBondContact O-CB 3.41Å; C2070-L2074 WeakPolarHBondContact O-CD1 3.19Å; C2070-L2074 VanDerWaalsContact O-CG 3.32Å; C2070-L2074 WeakPolarHBondContact O-CG 3.49Å; C2070-L2074 PolarHBondContact O-N 3.47Å; L2074-D2076 VanDerWaalsContact C-N 3.29Å; L2074-D2076 VanDerWaalsContact N-N 3.18Å; L2074-C2077 HydrophobicContact CD2-CB 4.25Å; L2074-C2077 CarbonylContact O-C 3.24Å; L2074-C2077 VanDerWaalsContact O-C 3.29Å; L2074-C2077 WeakPolarHBondContact O-CB 3.47Å; L2074-C2077 PolarHBondContact O-N 2.72Å; L2074-D2078 WeakPolarHBondContact O-CA 3.29Å; L2074-D2078 WeakPolarHBondContact O-CB 3.4Å; L2074-D2078 PolarHBondContact O-N 2.8Å |
| 2075 | A | 41.4 | Very low | 45.8 | Very low | 7 Ų | 7 | 47.7 Ų | 47.7 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 34.8 | 135.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1640 D2071 D2078 R2079 | T1640-A2075 HydrophobicContact CG2-CB 3.64Å; T1640-A2075 WeakPolarHBondContact CG2-O 3.45Å; D2071-A2075 CarbonylContact O-C 3.21Å; D2071-A2075 WeakPolarHBondContact O-CA 3.23Å; D2071-A2075 WeakPolarHBondContact O-CB 3.25Å; D2071-A2075 PolarHBondContact O-N 3.17Å; A2075-D2078 HydrophobicContact CB-CB 3.93Å; A2075-R2079 WeakPolarHBondContact O-CD 3.26Å; A2075-R2079 WeakPolarHBondContact O-CG 3.14Å; A2075-R2079 PolarHBondContact O-N 2.72Å; A2075-R2079 PolarHBondContact O-NE 3.13Å |
| 2076 | D | 46.3 | Very low | 45.5 | Very low | 87 Ų | 87 | 44 Ų | 44 | 47% | 0.465 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -49.1 | 132.7 | -114.6 | -4.8 | 0 | 0 | 0 | 108 | A2072 A2073 L2074 D2078 R2079 | A2072-D2076 WeakPolarHBondContact O-CB 3.44Å; A2073-D2076 WeakPolarHBondContact O-CB 3.18Å; L2074-D2076 VanDerWaalsContact C-N 3.29Å; L2074-D2076 VanDerWaalsContact N-N 3.18Å; D2076-D2078 PolarHBondContact O-N 2.85Å; D2076-R2079 WeakPolarHBondContact O-CA 3.46Å; D2076-R2079 WeakPolarHBondContact O-CB 2.86Å; D2076-R2079 PolarHBondContact O-N 2.69Å; D2076-R2079 WeakPolarHBondContact OD1-CD 3.44Å; D2076-R2079 IonicContact OD1-NE 3.7Å |
| 2077 | C | 39.6 | Very low | 45.4 | Very low | 67 Ų | 67 | 42.6 Ų | 42.6 | 45% | 0.453 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.4 | 169.9 | -166.7 | 0 | 0 | 0 | 0 | 112.9 | K1397 A2073 L2074 | K1397-C2077 PolarHBondContact NZ-O 3.09Å; K1397-C2077 PolarHBondContact NZ-SG 3.48Å; A2073-C2077 WeakPolarHBondContact O-CB 3.09Å; A2073-C2077 PolarHBondContact O-N 2.94Å; L2074-C2077 HydrophobicContact CD2-CB 4.25Å; L2074-C2077 CarbonylContact O-C 3.24Å; L2074-C2077 VanDerWaalsContact O-C 3.29Å; L2074-C2077 WeakPolarHBondContact O-CB 3.47Å; L2074-C2077 PolarHBondContact O-N 2.72Å |
| 2078 | D | 39.9 | Very low | 45.3 | Very low | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 6.5 | 172.2 | -73.7 | -32.2 | 0 | 0 | 0 | 113.2 | K1396 K1397 H1636 E1637 T1640 L2074 A2075 D2076 M2080 | K1396-D2078 WeakPolarHBondContact CD-OD2 3.49Å; K1396-D2078 VanDerWaalsContact CG-OD2 3.28Å; K1396-D2078 WeakPolarHBondContact CG-OD2 2.86Å; K1396-D2078 IonicContact NZ-OD1 3.1Å; K1396-D2078 PolarHBondContact NZ-OD1 3.28Å; K1396-D2078 IonicContact NZ-OD2 3.76Å; K1396-D2078 PolarHBondContact NZ-OD2 2.76Å; K1397-D2078 WeakPolarHBondContact CE-OD2 3.22Å; K1397-D2078 IonicContact NZ-OD1 3.3Å; K1397-D2078 PolarHBondContact NZ-OD1 3.2Å; K1397-D2078 IonicContact NZ-OD2 2.75Å; K1397-D2078 PolarHBondContact NZ-OD2 3.46Å; H1636-D2078 WeakPolarHBondContact CD2-CB 3.43Å; H1636-D2078 IonicContact CD2-OD2 3.29Å; H1636-D2078 PolarHBondContact CD2-OD2 2.91Å; H1636-D2078 VanDerWaalsContact CD2-OD2 3.23Å; H1636-D2078 WeakPolarHBondContact NE2-CB 3.05Å; H1636-D2078 IonicContact NE2-OD2 2.81Å; E1637-D2078 CarbonylContact C-O 3.32Å; E1637-D2078 WeakPolarHBondContact CA-O 3.14Å; E1637-D2078 HydrophobicContact CB-CB 3.92Å; E1637-D2078 WeakPolarHBondContact CB-O 3.11Å; E1637-D2078 HydrophobicContact CG-CB 3.48Å; E1637-D2078 VanDerWaalsContact CG-CB 3.48Å; E1637-D2078 VanDerWaalsContact CG-O 3.3Å; E1637-D2078 WeakPolarHBondContact CG-O 3.1Å; E1637-D2078 WeakPolarHBondContact CG-OD1 3.25Å; T1640-D2078 PolarHBondContact OG1-O 2.94Å; L2074-D2078 WeakPolarHBondContact O-CA 3.29Å; L2074-D2078 WeakPolarHBondContact O-CB 3.4Å; L2074-D2078 PolarHBondContact O-N 2.8Å; A2075-D2078 HydrophobicContact CB-CB 3.93Å; D2076-D2078 PolarHBondContact O-N 2.85Å; D2078-M2080 PolarHBondContact O-N 3.08Å |
| 2079 | R | 43.1 | Very low | 45.1 | Very low | 65 Ų | 65 | 39.3 Ų | 39.3 | 25% | 0.245 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -0 | 147.3 | -86.6 | 153.9 | -150 | -123.7 | 3.5 | 111.5 | T1640 A2075 D2076 Q2083 | T1640-R2079 HydrophobicContact CG2-CG 3.5Å; A2075-R2079 WeakPolarHBondContact O-CD 3.26Å; A2075-R2079 WeakPolarHBondContact O-CG 3.14Å; A2075-R2079 PolarHBondContact O-N 2.72Å; A2075-R2079 PolarHBondContact O-NE 3.13Å; D2076-R2079 WeakPolarHBondContact O-CA 3.46Å; D2076-R2079 WeakPolarHBondContact O-CB 2.86Å; D2076-R2079 PolarHBondContact O-N 2.69Å; D2076-R2079 WeakPolarHBondContact OD1-CD 3.44Å; D2076-R2079 IonicContact OD1-NE 3.7Å; R2079-Q2083 WeakPolarHBondContact O-CB 3.36Å; R2079-Q2083 WeakPolarHBondContact O-CG 3.48Å; R2079-Q2083 PolarHBondContact O-OE1 3.14Å |
| 2080 | M | 42.3 | Very low | 44.7 | Very low | 124 Ų | 124 | 39.1 Ų | 39.1 | 61% | 0.611 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -12.9 | -177.3 | -67 | -60.2 | -54.3 | 0 | 0 | 116.2 | D2078 | D2078-M2080 PolarHBondContact O-N 3.08Š|
| 2081 | S | 44.2 | Very low | 44.9 | Very low | 40 Ų | 40 | 38.9 Ų | 38.9 | 28% | 0.28 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -151.8 | -22.3 | -161.6 | 156.3 | 0 | 0 | 0 | 0 | 123.6 | E1637 T2084 S2085 | E1637-S2081 VanDerWaalsContact CG-C 3.49Å; E1637-S2081 WeakPolarHBondContact OE1-CB 3.29Å; E1637-S2081 PolarHBondContact OE1-OG 3.05Å; S2081-T2084 WeakPolarHBondContact CA-OG1 3.14Å; S2081-T2084 CarbonylContact O-C 2.94Å; S2081-T2084 PolarHBondContact O-N 3.38Å; S2081-T2084 PolarHBondContact O-OG1 3.3Å; S2081-S2085 PolarHBondContact O-N 2.73Å |
| 2082 | K | 45.1 | Very low | 45.2 | Very low | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -66.6 | -22.6 | 141.9 | 139.3 | -94.7 | -104.6 | 152.1 | 0 | 103.4 | E1393 S1634 K1635 H1636 E1637 Q1638 L1639 T2084 S2085 D2086 | E1393-K2082 IonicContact OE2-NZ 2.67Å; E1393-K2082 PolarHBondContact OE2-NZ 3.29Å; S1634-K2082 WeakPolarHBondContact O-CB 3.23Å; K1635-K2082 HydrophobicContact CB-CB 4.48Å; K1635-K2082 HydrophobicContact CB-CD 3.88Å; K1635-K2082 HydrophobicContact CB-CG 3.63Å; K1635-K2082 HydrophobicContact CG-CD 4.44Å; K1635-K2082 HydrophobicContact CG-CG 3.9Å; K1635-K2082 WeakPolarHBondContact O-CE 3.19Å; H1636-K2082 WeakPolarHBondContact O-CE 3.44Å; H1636-K2082 PolarHBondContact O-NZ 3.03Å; E1637-K2082 VanDerWaalsContact CA-CB 3.47Å; E1637-K2082 VanDerWaalsContact CA-N 3.34Å; E1637-K2082 HydrophobicContact CB-CB 3.7Å; E1637-K2082 CarbonylContact O-C 3.45Å; E1637-K2082 VanDerWaalsContact O-CA 3.24Å; E1637-K2082 WeakPolarHBondContact O-CA 2.89Å; E1637-K2082 PolarHBondContact O-N 3.38Å; Q1638-K2082 VanDerWaalsContact CA-CD 3.47Å; Q1638-K2082 VanDerWaalsContact CA-CG 3.41Å; Q1638-K2082 HydrophobicContact CB-CB 3.51Å; Q1638-K2082 HydrophobicContact CB-CD 3.61Å; Q1638-K2082 HydrophobicContact CB-CG 3.11Å; Q1638-K2082 WeakPolarHBondContact CB-O 3.39Å; Q1638-K2082 HydrophobicContact CG-CB 4.45Å; Q1638-K2082 HydrophobicContact CG-CD 3.7Å; Q1638-K2082 HydrophobicContact CG-CG 3.52Å; L1639-K2082 HydrophobicContact CB-CD 4.2Å; L1639-K2082 HydrophobicContact CG-CD 4.3Å; K2082-T2084 VanDerWaalsContact C-N 3.35Å; K2082-T2084 PolarHBondContact O-N 2.57Å; K2082-S2085 CarbonylContact O-C 3.08Å; K2082-S2085 WeakPolarHBondContact O-CA 3.23Å; K2082-S2085 WeakPolarHBondContact O-CB 3.4Å; K2082-S2085 PolarHBondContact O-N 2.86Å; K2082-D2086 VanDerWaalsContact O-CA 3.26Å; K2082-D2086 WeakPolarHBondContact O-CA 2.99Å; K2082-D2086 VanDerWaalsContact O-CB 3.31Å; K2082-D2086 WeakPolarHBondContact O-CB 3.28Å; K2082-D2086 PolarHBondContact O-N 3.29Å |
| 2083 | Q | 38.6 | Very low | 45.1 | Very low | 67 Ų | 67 | 41.5 Ų | 41.5 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -55.8 | -41.5 | 164.1 | -115.5 | -157.5 | 17.9 | 0 | 0 | 112.8 | E1637 R2079 S2085 D2086 S2087 | E1637-Q2083 VanDerWaalsContact C-N 3.3Å; E1637-Q2083 PolarHBondContact O-N 2.82Å; R2079-Q2083 WeakPolarHBondContact O-CB 3.36Å; R2079-Q2083 WeakPolarHBondContact O-CG 3.48Å; R2079-Q2083 PolarHBondContact O-OE1 3.14Å; Q2083-S2085 VanDerWaalsContact C-N 3.27Å; Q2083-D2086 VanDerWaalsContact O-CB 3.23Å; Q2083-D2086 WeakPolarHBondContact O-CB 3.46Å; Q2083-D2086 PolarHBondContact O-N 3.12Å; Q2083-S2087 VanDerWaalsContact O-CB 3.25Å; Q2083-S2087 WeakPolarHBondContact O-CB 3.43Å; Q2083-S2087 PolarHBondContact O-OG 3.05Å |
| 2084 | T | 46.7 | Very low | 45.1 | Very low | 54 Ų | 54 | 41.3 Ų | 41.3 | 33% | 0.331 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -82.7 | -5.3 | 168.5 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | L1867 S2081 K2082 | L1867-T2084 HydrophobicContact CD1-CG2 3.96Å; S2081-T2084 WeakPolarHBondContact CA-OG1 3.14Å; S2081-T2084 CarbonylContact O-C 2.94Å; S2081-T2084 PolarHBondContact O-N 3.38Å; S2081-T2084 PolarHBondContact O-OG1 3.3Å; K2082-T2084 VanDerWaalsContact C-N 3.35Å; K2082-T2084 PolarHBondContact O-N 2.57Å |
| 2085 | S | 47.5 | Very low | 45.7 | Very low | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -103.5 | 20.5 | 161.7 | -156.8 | 0 | 0 | 0 | 0 | 113.4 | S1634 K1863 S2081 K2082 Q2083 R2088 D2089 | S1634-S2085 WeakPolarHBondContact O-CB 3.02Å; S1634-S2085 PolarHBondContact O-OG 2.67Å; S1634-S2085 VanDerWaalsContact O-OG 3.12Å; S1634-S2085 PolarHBondContact OG-OG 2.78Å; K1863-S2085 PolarHBondContact NZ-OG 2.75Å; S2081-S2085 PolarHBondContact O-N 2.73Å; K2082-S2085 CarbonylContact O-C 3.08Å; K2082-S2085 WeakPolarHBondContact O-CA 3.23Å; K2082-S2085 WeakPolarHBondContact O-CB 3.4Å; K2082-S2085 PolarHBondContact O-N 2.86Å; Q2083-S2085 VanDerWaalsContact C-N 3.27Å; S2085-R2088 CarbonylContact O-C 3.32Å; S2085-R2088 WeakPolarHBondContact O-CA 3.4Å; S2085-R2088 WeakPolarHBondContact O-CB 3.43Å; S2085-R2088 PolarHBondContact O-N 2.65Å; S2085-R2088 WeakPolarHBondContact OG-CB 3.37Å; S2085-D2089 PolarHBondContact O-N 3.35Å |
| 2086 | D | 43 | Very low | 46 | Very low | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -97.6 | -71.8 | -163.5 | -154.3 | -23.7 | 0 | 0 | 0 | 115 | Q1638 G1641 I1642 K2082 Q2083 R2088 D2089 E2090 L2091 | Q1638-D2086 HydrophobicContact CB-CB 3.71Å; Q1638-D2086 VanDerWaalsContact CB-CG 3.41Å; Q1638-D2086 WeakPolarHBondContact CB-OD2 3.35Å; Q1638-D2086 HydrophobicContact CG-CB 4.17Å; Q1638-D2086 VanDerWaalsContact CG-CG 3.46Å; Q1638-D2086 WeakPolarHBondContact CG-OD1 3.42Å; Q1638-D2086 WeakPolarHBondContact CG-OD2 3.3Å; Q1638-D2086 PolarHBondContact NE2-O 3.32Å; Q1638-D2086 PolarHBondContact NE2-OD1 2.83Å; G1641-D2086 WeakPolarHBondContact CA-OD2 2.9Å; I1642-D2086 PolarHBondContact N-OD2 3.34Å; K2082-D2086 VanDerWaalsContact O-CA 3.26Å; K2082-D2086 WeakPolarHBondContact O-CA 2.99Å; K2082-D2086 VanDerWaalsContact O-CB 3.31Å; K2082-D2086 WeakPolarHBondContact O-CB 3.28Å; K2082-D2086 PolarHBondContact O-N 3.29Å; Q2083-D2086 VanDerWaalsContact O-CB 3.23Å; Q2083-D2086 WeakPolarHBondContact O-CB 3.46Å; Q2083-D2086 PolarHBondContact O-N 3.12Å; D2086-R2088 PolarHBondContact O-N 2.8Å; D2086-D2089 PolarHBondContact O-N 3.17Å; D2086-D2089 VanDerWaalsContact O-N 3.08Å; D2086-E2090 CarbonylContact O-C 3.57Å; D2086-E2090 VanDerWaalsContact O-C 3.24Å; D2086-E2090 WeakPolarHBondContact O-CA 3.44Å; D2086-E2090 VanDerWaalsContact O-CB 3.24Å; D2086-E2090 WeakPolarHBondContact O-CB 3.19Å; D2086-E2090 PolarHBondContact O-N 2.88Å; D2086-L2091 PolarHBondContact O-N 3.1Å |
| 2087 | S | 48.6 | Very low | 46.4 | Very low | 47 Ų | 47 | 49 Ų | 49 | 33% | 0.329 | 26% | 0.255 | S | S | . | . | H | α-helix | 24.9 | 0.2 | 77.6 | -35.7 | 0 | 0 | 0 | 0 | 119.2 | T1870 Q2083 | T1870-S2087 WeakPolarHBondContact CG2-O 3.01Å; Q2083-S2087 VanDerWaalsContact O-CB 3.25Å; Q2083-S2087 WeakPolarHBondContact O-CB 3.43Å; Q2083-S2087 PolarHBondContact O-OG 3.05Å | |
| 2088 | R | 52.2 | Low | 47.1 | Very low | 16 Ų | 16 | 50.8 Ų | 50.8 | 6% | 0.06 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -165.7 | -33.2 | 177.4 | -148.5 | 87.2 | 174.3 | 73.6 | 4.4 | 115.2 | K1863 E1866 S2085 D2086 L2091 N2092 | K1863-R2088 VanDerWaalsContact CA-NE 3.3Å; K1863-R2088 HydrophobicContact CD-CG 3.67Å; K1863-R2088 HydrophobicContact CG-CG 4.28Å; E1866-R2088 VanDerWaalsContact CD-NH1 3.27Å; E1866-R2088 IonicContact OE1-CZ 3.56Å; E1866-R2088 IonicContact OE1-NH1 3.63Å; E1866-R2088 IonicContact OE1-NH2 3.81Å; E1866-R2088 PolarHBondContact OE1-NH2 2.82Å; E1866-R2088 IonicContact OE2-CZ 3.67Å; E1866-R2088 IonicContact OE2-NH1 2.75Å; E1866-R2088 PolarHBondContact OE2-NH1 3.17Å; E1866-R2088 IonicContact OE2-NH2 2.76Å; E1866-R2088 PolarHBondContact OE2-NH2 2.79Å; E1866-R2088 VanDerWaalsContact OE2-NH2 3.15Å; S2085-R2088 CarbonylContact O-C 3.32Å; S2085-R2088 WeakPolarHBondContact O-CA 3.4Å; S2085-R2088 WeakPolarHBondContact O-CB 3.43Å; S2085-R2088 PolarHBondContact O-N 2.65Å; S2085-R2088 WeakPolarHBondContact OG-CB 3.37Å; D2086-R2088 PolarHBondContact O-N 2.8Å; R2088-L2091 VanDerWaalsContact C-CB 3.5Å; R2088-N2092 VanDerWaalsContact O-CB 3.22Å; R2088-N2092 WeakPolarHBondContact O-CB 3.37Å; R2088-N2092 PolarHBondContact O-N 3.45Å; R2088-N2092 PolarHBondContact O-ND2 2.6Å |
| 2089 | D | 45.9 | Very low | 48.1 | Very low | 21 Ų | 21 | 55.8 Ų | 55.8 | 11% | 0.112 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -117.5 | -21.7 | 175.6 | -104.6 | 54.1 | 0 | 0 | 0 | 113.5 | K1635 S2085 D2086 L2091 N2092 I2093 | K1635-D2089 VanDerWaalsContact CE-CG 3.48Å; K1635-D2089 WeakPolarHBondContact CE-OD2 3.36Å; K1635-D2089 IonicContact NZ-OD2 3.72Å; K1635-D2089 PolarHBondContact NZ-OD2 2.93Å; S2085-D2089 PolarHBondContact O-N 3.35Å; D2086-D2089 PolarHBondContact O-N 3.17Å; D2086-D2089 VanDerWaalsContact O-N 3.08Å; D2089-L2091 VanDerWaalsContact C-N 3.25Å; D2089-N2092 PolarHBondContact OD1-ND2 2.96Å; D2089-I2093 WeakPolarHBondContact O-CA 3.24Å; D2089-I2093 WeakPolarHBondContact O-CB 3.3Å; D2089-I2093 WeakPolarHBondContact O-CD1 3.12Å; D2089-I2093 WeakPolarHBondContact O-CG1 2.97Å; D2089-I2093 PolarHBondContact O-N 2.95Å |
| 2090 | E | 44.4 | Very low | 48.9 | Very low | 56 Ų | 56 | 58.4 Ų | 58.4 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -76.4 | -12.1 | 140.1 | -65.5 | -126.6 | 107.5 | 0 | 0 | 111.1 | I1642 D2086 A2094 R2097 | I1642-E2090 HydrophobicContact CD1-CG 3.65Å; I1642-E2090 HydrophobicContact CG1-CG 3.71Å; D2086-E2090 CarbonylContact O-C 3.57Å; D2086-E2090 VanDerWaalsContact O-C 3.24Å; D2086-E2090 WeakPolarHBondContact O-CA 3.44Å; D2086-E2090 VanDerWaalsContact O-CB 3.24Å; D2086-E2090 WeakPolarHBondContact O-CB 3.19Å; D2086-E2090 PolarHBondContact O-N 2.88Å; E2090-A2094 VanDerWaalsContact O-CA 3.28Å; E2090-A2094 WeakPolarHBondContact O-CA 3.04Å; E2090-A2094 WeakPolarHBondContact O-CB 3.08Å; E2090-A2094 PolarHBondContact O-N 2.84Å; E2090-R2097 IonicContact OE1-CZ 2.85Å; E2090-R2097 IonicContact OE1-NH1 3.95Å; E2090-R2097 PolarHBondContact OE1-NH1 3.15Å; E2090-R2097 IonicContact OE1-NH2 3.56Å |
| 2091 | L | 47.9 | Very low | 49.4 | Very low | 12 Ų | 12 | 54.9 Ų | 54.9 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -75 | -54.5 | 158.5 | -170.8 | 67 | 0 | 0 | 0 | 110.8 | E1866 T1870 D2086 R2088 D2089 I2093 A2094 Q2095 | E1866-L2091 HydrophobicContact CB-CD2 4.38Å; T1870-L2091 HydrophobicContact CG2-CB 3.77Å; T1870-L2091 HydrophobicContact CG2-CD1 3.4Å; T1870-L2091 HydrophobicContact CG2-CD2 3.37Å; T1870-L2091 HydrophobicContact CG2-CG 3.62Å; D2086-L2091 PolarHBondContact O-N 3.1Å; R2088-L2091 VanDerWaalsContact C-CB 3.5Å; D2089-L2091 VanDerWaalsContact C-N 3.25Å; L2091-I2093 PolarHBondContact O-N 2.88Å; L2091-A2094 CarbonylContact O-C 3.57Å; L2091-A2094 PolarHBondContact O-N 2.93Å; L2091-A2094 VanDerWaalsContact O-N 3.09Å; L2091-Q2095 HydrophobicContact CD1-CG 4.04Å; L2091-Q2095 HydrophobicContact CG-CG 4.01Å; L2091-Q2095 WeakPolarHBondContact O-CA 3.16Å; L2091-Q2095 WeakPolarHBondContact O-CB 3.48Å; L2091-Q2095 VanDerWaalsContact O-CG 3.31Å; L2091-Q2095 WeakPolarHBondContact O-CG 3.41Å; L2091-Q2095 PolarHBondContact O-N 3.43Å |
| 2092 | N | 53.9 | Low | 50.5 | Low | 54 Ų | 54 | 55.9 Ų | 55.9 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.9 | -28.9 | -178.6 | -75.3 | -37.5 | 0 | 0 | 0 | 110.2 | R2088 D2089 Q2096 | R2088-N2092 VanDerWaalsContact O-CB 3.22Å; R2088-N2092 WeakPolarHBondContact O-CB 3.37Å; R2088-N2092 PolarHBondContact O-N 3.45Å; R2088-N2092 PolarHBondContact O-ND2 2.6Å; D2089-N2092 PolarHBondContact OD1-ND2 2.96Å; N2092-Q2096 WeakPolarHBondContact O-CA 3.31Å; N2092-Q2096 WeakPolarHBondContact O-CB 3.5Å; N2092-Q2096 WeakPolarHBondContact O-CG 3.07Å; N2092-Q2096 PolarHBondContact O-N 3.49Å |
| 2093 | I | 47.5 | Very low | 51.3 | Low | 61 Ų | 61 | 58.9 Ų | 58.9 | 31% | 0.313 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -90.4 | -18.5 | 172.4 | -54.6 | 167.6 | 0 | 0 | 0 | 112.4 | D2089 L2091 Q2096 R2097 | D2089-I2093 WeakPolarHBondContact O-CA 3.24Å; D2089-I2093 WeakPolarHBondContact O-CB 3.3Å; D2089-I2093 WeakPolarHBondContact O-CD1 3.12Å; D2089-I2093 WeakPolarHBondContact O-CG1 2.97Å; D2089-I2093 PolarHBondContact O-N 2.95Å; L2091-I2093 PolarHBondContact O-N 2.88Å; I2093-Q2096 CarbonylContact O-C 3.47Å; I2093-R2097 HydrophobicContact CG2-CG 4.07Å; I2093-R2097 WeakPolarHBondContact O-CA 3.32Å; I2093-R2097 WeakPolarHBondContact O-CB 3.38Å; I2093-R2097 WeakPolarHBondContact O-CD 3.22Å; I2093-R2097 WeakPolarHBondContact O-CG 3.26Å; I2093-R2097 PolarHBondContact O-N 3.19Å |
| 2094 | A | 48.7 | Very low | 52.6 | Low | 48 Ų | 48 | 59.9 Ų | 59.9 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -80.8 | -26.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E2090 L2091 R2097 L2098 | E2090-A2094 VanDerWaalsContact O-CA 3.28Å; E2090-A2094 WeakPolarHBondContact O-CA 3.04Å; E2090-A2094 WeakPolarHBondContact O-CB 3.08Å; E2090-A2094 PolarHBondContact O-N 2.84Å; L2091-A2094 CarbonylContact O-C 3.57Å; L2091-A2094 PolarHBondContact O-N 2.93Å; L2091-A2094 VanDerWaalsContact O-N 3.09Å; A2094-R2097 CarbonylContact O-C 3.48Å; A2094-R2097 PolarHBondContact O-N 2.91Å; A2094-L2098 WeakPolarHBondContact O-CA 3.23Å; A2094-L2098 WeakPolarHBondContact O-CB 3.48Å; A2094-L2098 PolarHBondContact O-N 3.49Å |
| 2095 | Q | 53.3 | Low | 53.3 | Low | 80 Ų | 80 | 60.4 Ų | 60.4 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -76.4 | -41 | 169.5 | -75.9 | 172.5 | -24.3 | 0 | 0 | 108.5 | L2091 L2098 Q2099 | L2091-Q2095 HydrophobicContact CD1-CG 4.04Å; L2091-Q2095 HydrophobicContact CG-CG 4.01Å; L2091-Q2095 WeakPolarHBondContact O-CA 3.16Å; L2091-Q2095 WeakPolarHBondContact O-CB 3.48Å; L2091-Q2095 VanDerWaalsContact O-CG 3.31Å; L2091-Q2095 WeakPolarHBondContact O-CG 3.41Å; L2091-Q2095 PolarHBondContact O-N 3.43Å; Q2095-L2098 PolarHBondContact O-N 2.87Å; Q2095-Q2099 WeakPolarHBondContact O-CA 3Å; Q2095-Q2099 WeakPolarHBondContact O-CB 2.95Å; Q2095-Q2099 PolarHBondContact O-N 3.09Å |
| 2096 | Q | 47.1 | Very low | 54.2 | Low | 95 Ų | 95 | 64.8 Ų | 64.8 | 44% | 0.444 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.6 | -22.7 | 166.9 | -74.1 | -177.2 | 32.7 | 0 | 0 | 113.2 | N2092 I2093 K2100 | N2092-Q2096 WeakPolarHBondContact O-CA 3.31Å; N2092-Q2096 WeakPolarHBondContact O-CB 3.5Å; N2092-Q2096 WeakPolarHBondContact O-CG 3.07Å; N2092-Q2096 PolarHBondContact O-N 3.49Å; I2093-Q2096 CarbonylContact O-C 3.47Å; Q2096-K2100 HydrophobicContact CB-CD 4.44Å; Q2096-K2100 WeakPolarHBondContact O-CA 3.34Å; Q2096-K2100 WeakPolarHBondContact O-CB 3.5Å; Q2096-K2100 VanDerWaalsContact O-CD 3.26Å; Q2096-K2100 WeakPolarHBondContact O-CD 3.4Å; Q2096-K2100 WeakPolarHBondContact O-CG 3.07Å; Q2096-K2100 PolarHBondContact O-N 3.36Å |
| 2097 | R | 54.3 | Low | 55.2 | Low | 108 Ų | 108 | 67.6 Ų | 67.6 | 41% | 0.408 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -86.6 | -22.2 | 171.1 | -74.7 | 165.6 | -170.7 | 150.1 | 5.6 | 111.6 | E2090 I2093 A2094 A2101 | E2090-R2097 IonicContact OE1-CZ 2.85Å; E2090-R2097 IonicContact OE1-NH1 3.95Å; E2090-R2097 PolarHBondContact OE1-NH1 3.15Å; E2090-R2097 IonicContact OE1-NH2 3.56Å; I2093-R2097 HydrophobicContact CG2-CG 4.07Å; I2093-R2097 WeakPolarHBondContact O-CA 3.32Å; I2093-R2097 WeakPolarHBondContact O-CB 3.38Å; I2093-R2097 WeakPolarHBondContact O-CD 3.22Å; I2093-R2097 WeakPolarHBondContact O-CG 3.26Å; I2093-R2097 PolarHBondContact O-N 3.19Å; A2094-R2097 CarbonylContact O-C 3.48Å; A2094-R2097 PolarHBondContact O-N 2.91Å; R2097-A2101 VanDerWaalsContact O-CA 3.31Å; R2097-A2101 WeakPolarHBondContact O-CA 3.24Å; R2097-A2101 WeakPolarHBondContact O-CB 3.03Å; R2097-A2101 PolarHBondContact O-N 2.97Å |
| 2098 | L | 55.1 | Low | 55.9 | Low | 106 Ų | 106 | 68.7 Ų | 68.7 | 56% | 0.555 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -82.9 | -38 | 171.5 | -178.9 | 67.7 | 0 | 0 | 0 | 109.8 | A2094 Q2095 N2102 | A2094-L2098 WeakPolarHBondContact O-CA 3.23Å; A2094-L2098 WeakPolarHBondContact O-CB 3.48Å; A2094-L2098 PolarHBondContact O-N 3.49Å; Q2095-L2098 PolarHBondContact O-N 2.87Å; L2098-N2102 WeakPolarHBondContact O-CA 3.32Å; L2098-N2102 WeakPolarHBondContact O-CB 2.88Å; L2098-N2102 PolarHBondContact O-N 3.34Å; L2098-N2102 PolarHBondContact O-ND2 3.17Å; L2098-N2102 VanDerWaalsContact O-ND2 3.09Å |
| 2099 | Q | 61.3 | Low | 56.3 | Low | 107 Ų | 107 | 69.9 Ų | 69.9 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -68.3 | -53.8 | 167.8 | -171.5 | 60.1 | 39.7 | 0 | 0 | 109.2 | Q2095 A2101 N2102 D2103 | Q2095-Q2099 WeakPolarHBondContact O-CA 3Å; Q2095-Q2099 WeakPolarHBondContact O-CB 2.95Å; Q2095-Q2099 PolarHBondContact O-N 3.09Å; Q2099-A2101 VanDerWaalsContact C-N 3.31Å; Q2099-A2101 PolarHBondContact O-N 3.22Å; Q2099-N2102 CarbonylContact O-C 3.31Å; Q2099-N2102 PolarHBondContact O-N 2.7Å; Q2099-D2103 WeakPolarHBondContact CG-OD2 2.77Å; Q2099-D2103 PolarHBondContact NE2-OD1 2.87Å; Q2099-D2103 PolarHBondContact NE2-OD2 3.44Å; Q2099-D2103 WeakPolarHBondContact O-CA 2.88Å; Q2099-D2103 WeakPolarHBondContact O-CB 2.88Å; Q2099-D2103 PolarHBondContact O-N 2.79Å |
| 2100 | K | 59.4 | Low | 57.2 | Low | 120 Ų | 120 | 71.9 Ų | 71.9 | 52% | 0.522 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68 | -22.5 | 175.3 | -65.9 | 162.6 | -178.8 | 161.5 | 0 | 113.9 | Q2096 L2104 | Q2096-K2100 HydrophobicContact CB-CD 4.44Å; Q2096-K2100 WeakPolarHBondContact O-CA 3.34Å; Q2096-K2100 WeakPolarHBondContact O-CB 3.5Å; Q2096-K2100 VanDerWaalsContact O-CD 3.26Å; Q2096-K2100 WeakPolarHBondContact O-CD 3.4Å; Q2096-K2100 WeakPolarHBondContact O-CG 3.07Å; Q2096-K2100 PolarHBondContact O-N 3.36Å; K2100-L2104 VanDerWaalsContact O-CB 3.26Å; K2100-L2104 WeakPolarHBondContact O-CB 3.38Å; K2100-L2104 PolarHBondContact O-N 3.39Å |
| 2101 | A | 53 | Low | 58.3 | Low | 51 Ų | 51 | 71.9 Ų | 71.9 | 42% | 0.421 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -79.2 | -41.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R2097 Q2099 D2103 L2104 K2105 | R2097-A2101 VanDerWaalsContact O-CA 3.31Å; R2097-A2101 WeakPolarHBondContact O-CA 3.24Å; R2097-A2101 WeakPolarHBondContact O-CB 3.03Å; R2097-A2101 PolarHBondContact O-N 2.97Å; Q2099-A2101 VanDerWaalsContact C-N 3.31Å; Q2099-A2101 PolarHBondContact O-N 3.22Å; A2101-D2103 VanDerWaalsContact C-N 3.27Å; A2101-D2103 PolarHBondContact O-N 3.12Å; A2101-L2104 CarbonylContact O-C 3.55Å; A2101-L2104 PolarHBondContact O-N 3.17Å; A2101-K2105 WeakPolarHBondContact O-CA 3.24Å; A2101-K2105 WeakPolarHBondContact O-CB 2.88Å; A2101-K2105 PolarHBondContact O-N 2.99Å |
| 2102 | N | 66.3 | Low | 58.9 | Low | 61 Ų | 61 | 72.4 Ų | 72.4 | 33% | 0.326 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.8 | -29.3 | 173.6 | -77.4 | -37.5 | 0 | 0 | 0 | 112 | L2098 Q2099 K2105 Q2106 | L2098-N2102 WeakPolarHBondContact O-CA 3.32Å; L2098-N2102 WeakPolarHBondContact O-CB 2.88Å; L2098-N2102 PolarHBondContact O-N 3.34Å; L2098-N2102 PolarHBondContact O-ND2 3.17Å; L2098-N2102 VanDerWaalsContact O-ND2 3.09Å; Q2099-N2102 CarbonylContact O-C 3.31Å; Q2099-N2102 PolarHBondContact O-N 2.7Å; N2102-K2105 PolarHBondContact O-N 3.17Å; N2102-Q2106 VanDerWaalsContact O-CB 3.23Å; N2102-Q2106 WeakPolarHBondContact O-CB 3.13Å; N2102-Q2106 WeakPolarHBondContact O-CG 2.87Å; N2102-Q2106 PolarHBondContact O-N 3.25Å |
| 2103 | D | 63 | Low | 59.6 | Low | 67 Ų | 67 | 73.4 Ų | 73.4 | 36% | 0.358 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -82.1 | -31.1 | 173.1 | -65.6 | -23.7 | 0 | 0 | 0 | 110.9 | Q2099 A2101 K2105 S2107 | Q2099-D2103 WeakPolarHBondContact CG-OD2 2.77Å; Q2099-D2103 PolarHBondContact NE2-OD1 2.87Å; Q2099-D2103 PolarHBondContact NE2-OD2 3.44Å; Q2099-D2103 WeakPolarHBondContact O-CA 2.88Å; Q2099-D2103 WeakPolarHBondContact O-CB 2.88Å; Q2099-D2103 PolarHBondContact O-N 2.79Å; A2101-D2103 VanDerWaalsContact C-N 3.27Å; A2101-D2103 PolarHBondContact O-N 3.12Å; D2103-K2105 VanDerWaalsContact C-N 3.31Å; D2103-S2107 VanDerWaalsContact O-CA 3.24Å; D2103-S2107 WeakPolarHBondContact O-CA 3.11Å; D2103-S2107 WeakPolarHBondContact O-CB 3.23Å; D2103-S2107 PolarHBondContact O-N 3.41Å |
| 2104 | L | 64.5 | Low | 60.2 | Low | 87 Ų | 87 | 73.5 Ų | 73.5 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.2 | -35.1 | 163.8 | -114.5 | 71.3 | 0 | 0 | 0 | 110.6 | K2100 A2101 I2108 | K2100-L2104 VanDerWaalsContact O-CB 3.26Å; K2100-L2104 WeakPolarHBondContact O-CB 3.38Å; K2100-L2104 PolarHBondContact O-N 3.39Å; A2101-L2104 CarbonylContact O-C 3.55Å; A2101-L2104 PolarHBondContact O-N 3.17Å; L2104-I2108 HydrophobicContact CB-CD1 4.09Å; L2104-I2108 HydrophobicContact CD2-CD1 3.94Å; L2104-I2108 HydrophobicContact CG-CD1 3.77Å; L2104-I2108 HydrophobicContact CG-CG1 4.4Å; L2104-I2108 WeakPolarHBondContact O-CA 3.42Å; L2104-I2108 WeakPolarHBondContact O-CB 3.42Å; L2104-I2108 WeakPolarHBondContact O-CD1 3.04Å; L2104-I2108 WeakPolarHBondContact O-CG1 3.16Å; L2104-I2108 PolarHBondContact O-N 3Å |
| 2105 | K | 63.2 | Low | 60.5 | Low | 65 Ų | 65 | 75.6 Ų | 75.6 | 28% | 0.283 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.8 | -48.7 | -177.8 | 172.5 | 172.5 | -114.4 | -136.5 | 0 | 109.7 | A2101 N2102 D2103 E2109 K2562 Q2563 N2564 | A2101-K2105 WeakPolarHBondContact O-CA 3.24Å; A2101-K2105 WeakPolarHBondContact O-CB 2.88Å; A2101-K2105 PolarHBondContact O-N 2.99Å; N2102-K2105 PolarHBondContact O-N 3.17Å; D2103-K2105 VanDerWaalsContact C-N 3.31Å; K2105-E2109 WeakPolarHBondContact O-CB 3.49Å; K2105-E2109 PolarHBondContact O-N 3Å; K2105-K2562 WeakPolarHBondContact CE-O 3.29Å; K2105-K2562 VanDerWaalsContact CG-O 3.23Å; K2105-K2562 WeakPolarHBondContact CG-O 3.35Å; K2105-Q2563 VanDerWaalsContact CE-C 3.46Å; K2105-Q2563 WeakPolarHBondContact CE-O 3.36Å; K2105-Q2563 PolarHBondContact NZ-O 3.13Å; K2105-Q2563 PolarHBondContact O-NE2 2.89Å; K2105-N2564 WeakPolarHBondContact CE-O 3.35Å; K2105-N2564 PolarHBondContact NZ-O 3.32Å; K2105-N2564 PolarHBondContact O-OD1 2.83Å; K2105-N2564 VanDerWaalsContact O-OD1 3.08Å |
| 2106 | Q | 66.6 | Low | 61 | Low | 94 Ų | 94 | 77.4 Ų | 77.4 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -72.9 | -39.5 | 171 | -72.7 | -172.7 | 35.4 | 0 | 0 | 113.4 | N2102 S2110 N2564 V2565 | N2102-Q2106 VanDerWaalsContact O-CB 3.23Å; N2102-Q2106 WeakPolarHBondContact O-CB 3.13Å; N2102-Q2106 WeakPolarHBondContact O-CG 2.87Å; N2102-Q2106 PolarHBondContact O-N 3.25Å; Q2106-S2110 WeakPolarHBondContact O-CA 3.07Å; Q2106-S2110 WeakPolarHBondContact O-CB 3.16Å; Q2106-S2110 PolarHBondContact O-N 3.11Å; Q2106-S2110 PolarHBondContact O-OG 2.59Å; Q2106-N2564 VanDerWaalsContact CA-OD1 3.29Å; Q2106-N2564 WeakPolarHBondContact CA-OD1 3.38Å; Q2106-V2565 HydrophobicContact CG-CB 4.37Å; Q2106-V2565 HydrophobicContact CG-CG2 3.84Å |
| 2107 | S | 63.6 | Low | 61.8 | Low | 64 Ų | 64 | 80.6 Ų | 80.6 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -70.9 | -34.1 | 177.4 | -177 | 0 | 0 | 0 | 0 | 111.7 | D2103 S2110 S2111 | D2103-S2107 VanDerWaalsContact O-CA 3.24Å; D2103-S2107 WeakPolarHBondContact O-CA 3.11Å; D2103-S2107 WeakPolarHBondContact O-CB 3.23Å; D2103-S2107 PolarHBondContact O-N 3.41Å; S2107-S2110 WeakPolarHBondContact CA-OG 3.47Å; S2107-S2110 PolarHBondContact O-OG 3.29Å; S2107-S2110 VanDerWaalsContact O-OG 3.05Å; S2107-S2111 WeakPolarHBondContact O-CA 3.25Å; S2107-S2111 WeakPolarHBondContact O-CB 3.06Å; S2107-S2111 PolarHBondContact O-N 2.75Å; S2107-S2111 PolarHBondContact O-OG 3Å |
| 2108 | I | 62 | Low | 62.1 | Low | 69 Ų | 69 | 79.9 Ų | 79.9 | 35% | 0.354 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -80.2 | -30.4 | 176.1 | -60.2 | 165.2 | 0 | 0 | 0 | 110.6 | L2104 S2111 L2112 Q2563 | L2104-I2108 HydrophobicContact CB-CD1 4.09Å; L2104-I2108 HydrophobicContact CD2-CD1 3.94Å; L2104-I2108 HydrophobicContact CG-CD1 3.77Å; L2104-I2108 HydrophobicContact CG-CG1 4.4Å; L2104-I2108 WeakPolarHBondContact O-CA 3.42Å; L2104-I2108 WeakPolarHBondContact O-CB 3.42Å; L2104-I2108 WeakPolarHBondContact O-CD1 3.04Å; L2104-I2108 WeakPolarHBondContact O-CG1 3.16Å; L2104-I2108 PolarHBondContact O-N 3Å; I2108-S2111 CarbonylContact O-C 3.2Å; I2108-S2111 VanDerWaalsContact O-C 3.24Å; I2108-S2111 WeakPolarHBondContact O-CA 2.82Å; I2108-S2111 PolarHBondContact O-N 3.14Å; I2108-L2112 WeakPolarHBondContact O-CB 3.4Å; I2108-L2112 PolarHBondContact O-N 3.4Å; I2108-Q2563 VanDerWaalsContact C-NE2 3.33Å; I2108-Q2563 PolarHBondContact O-OE1 3.3Å |
| 2109 | E | 61 | Low | 62.5 | Low | 41 Ų | 41 | 79.5 Ų | 79.5 | 19% | 0.192 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -87 | -28.2 | 174.9 | -147.4 | -164.1 | -99.2 | 0 | 0 | 113.3 | K2105 S2111 L2112 N2113 Q2563 N2564 | K2105-E2109 WeakPolarHBondContact O-CB 3.49Å; K2105-E2109 PolarHBondContact O-N 3Å; E2109-S2111 VanDerWaalsContact C-N 3.31Å; E2109-L2112 HydrophobicContact CG-CB 4.28Å; E2109-L2112 HydrophobicContact CG-CD2 4.47Å; E2109-L2112 PolarHBondContact O-N 3.46Å; E2109-N2113 VanDerWaalsContact O-CB 3.29Å; E2109-N2113 WeakPolarHBondContact O-CB 3.36Å; E2109-N2113 PolarHBondContact O-N 3.49Å; E2109-N2113 PolarHBondContact O-ND2 3.21Å; E2109-N2113 PolarHBondContact OE2-ND2 3.46Å; E2109-Q2563 HydrophobicContact CB-CB 3.9Å; E2109-Q2563 VanDerWaalsContact CB-CD 3.4Å; E2109-Q2563 HydrophobicContact CB-CG 4.01Å; E2109-Q2563 HydrophobicContact CG-CB 3.81Å; E2109-Q2563 HydrophobicContact CG-CG 3.8Å; E2109-Q2563 WeakPolarHBondContact OE1-CB 3.4Å; E2109-N2564 HydrophobicContact CB-CB 4.37Å; E2109-N2564 VanDerWaalsContact CB-CG 3.47Å; E2109-N2564 WeakPolarHBondContact CB-OD1 3.14Å; E2109-N2564 VanDerWaalsContact CD-CG 3.45Å; E2109-N2564 VanDerWaalsContact CD-ND2 3.26Å; E2109-N2564 WeakPolarHBondContact OE1-CB 2.69Å; E2109-N2564 PolarHBondContact OE2-ND2 2.91Å |
| 2110 | S | 64.5 | Low | 62.5 | Low | 64 Ų | 64 | 78.7 Ų | 78.7 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.2 | -51.4 | 155.5 | 73.9 | 0 | 0 | 0 | 0 | 107 | Q2106 S2107 L2112 N2113 E2114 | Q2106-S2110 WeakPolarHBondContact O-CA 3.07Å; Q2106-S2110 WeakPolarHBondContact O-CB 3.16Å; Q2106-S2110 PolarHBondContact O-N 3.11Å; Q2106-S2110 PolarHBondContact O-OG 2.59Å; S2107-S2110 WeakPolarHBondContact CA-OG 3.47Å; S2107-S2110 PolarHBondContact O-OG 3.29Å; S2107-S2110 VanDerWaalsContact O-OG 3.05Å; S2110-L2112 PolarHBondContact O-N 3.44Å; S2110-N2113 CarbonylContact O-C 3.18Å; S2110-N2113 PolarHBondContact O-N 2.88Å; S2110-E2114 WeakPolarHBondContact O-CA 2.93Å; S2110-E2114 WeakPolarHBondContact O-CB 2.99Å; S2110-E2114 PolarHBondContact O-N 2.9Å |
| 2111 | S | 67.2 | Low | 62.5 | Low | 55 Ų | 55 | 76.5 Ų | 76.5 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.4 | -12.4 | 173.7 | -57.5 | 0 | 0 | 0 | 0 | 115.9 | S2107 I2108 E2109 Q2115 | S2107-S2111 WeakPolarHBondContact O-CA 3.25Å; S2107-S2111 WeakPolarHBondContact O-CB 3.06Å; S2107-S2111 PolarHBondContact O-N 2.75Å; S2107-S2111 PolarHBondContact O-OG 3Å; I2108-S2111 CarbonylContact O-C 3.2Å; I2108-S2111 VanDerWaalsContact O-C 3.24Å; I2108-S2111 WeakPolarHBondContact O-CA 2.82Å; I2108-S2111 PolarHBondContact O-N 3.14Å; E2109-S2111 VanDerWaalsContact C-N 3.31Å; S2111-Q2115 WeakPolarHBondContact O-CA 3Å; S2111-Q2115 WeakPolarHBondContact O-CB 3.22Å; S2111-Q2115 WeakPolarHBondContact O-CG 3.42Å; S2111-Q2115 PolarHBondContact O-N 2.93Å |
| 2112 | L | 60.5 | Low | 62.7 | Low | 23 Ų | 23 | 78.4 Ų | 78.4 | 12% | 0.12 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -95.1 | -45.6 | 176.2 | -175.2 | 67.3 | 0 | 0 | 0 | 110.3 | I2108 E2109 S2110 E2114 Q2115 R2116 | I2108-L2112 WeakPolarHBondContact O-CB 3.4Å; I2108-L2112 PolarHBondContact O-N 3.4Å; E2109-L2112 HydrophobicContact CG-CB 4.28Å; E2109-L2112 HydrophobicContact CG-CD2 4.47Å; E2109-L2112 PolarHBondContact O-N 3.46Å; S2110-L2112 PolarHBondContact O-N 3.44Å; L2112-E2114 PolarHBondContact O-N 3.38Å; L2112-Q2115 CarbonylContact O-C 3.33Å; L2112-Q2115 PolarHBondContact O-N 3.36Å; L2112-R2116 WeakPolarHBondContact O-CB 3.22Å; L2112-R2116 WeakPolarHBondContact O-CG 3.43Å; L2112-R2116 PolarHBondContact O-N 3.09Å |
| 2113 | N | 69 | Low | 62.4 | Low | 76 Ų | 76 | 78.4 Ų | 78.4 | 41% | 0.406 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.7 | -18.4 | 169.6 | -69.6 | -44.1 | 0 | 0 | 0 | 112 | E2109 S2110 R2116 R2117 | E2109-N2113 VanDerWaalsContact O-CB 3.29Å; E2109-N2113 WeakPolarHBondContact O-CB 3.36Å; E2109-N2113 PolarHBondContact O-N 3.49Å; E2109-N2113 PolarHBondContact O-ND2 3.21Å; E2109-N2113 PolarHBondContact OE2-ND2 3.46Å; S2110-N2113 CarbonylContact O-C 3.18Å; S2110-N2113 PolarHBondContact O-N 2.88Å; N2113-R2116 CarbonylContact O-C 2.9Å; N2113-R2117 VanDerWaalsContact O-CB 3.28Å; N2113-R2117 WeakPolarHBondContact O-CB 2.94Å; N2113-R2117 PolarHBondContact O-N 3.16Å |
| 2114 | E | 61.8 | Low | 62.3 | Low | 62 Ų | 62 | 79.2 Ų | 79.2 | 29% | 0.29 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -99.6 | -13.2 | 171.6 | -163.1 | 65.7 | -143.9 | 0 | 0 | 111.1 | S2110 L2112 R2116 R2117 Q2118 | S2110-E2114 WeakPolarHBondContact O-CA 2.93Å; S2110-E2114 WeakPolarHBondContact O-CB 2.99Å; S2110-E2114 PolarHBondContact O-N 2.9Å; L2112-E2114 PolarHBondContact O-N 3.38Å; E2114-R2116 VanDerWaalsContact C-N 3.33Å; E2114-R2117 WeakPolarHBondContact OE2-CD 3.35Å; E2114-R2117 IonicContact OE2-NH1 3.81Å; E2114-Q2118 HydrophobicContact CG-CG 4.48Å; E2114-Q2118 WeakPolarHBondContact O-CA 3.31Å; E2114-Q2118 WeakPolarHBondContact O-CB 3.01Å; E2114-Q2118 WeakPolarHBondContact O-CG 3.11Å; E2114-Q2118 PolarHBondContact O-N 3.39Å; E2114-Q2118 PolarHBondContact O-OE1 2.94Å |
| 2115 | Q | 53.6 | Low | 62 | Low | 93 Ų | 93 | 79.8 Ų | 79.8 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -82.1 | -16.6 | 154.9 | -89.7 | -171.4 | -7.9 | 0 | 0 | 112 | S2111 L2112 R2119 | S2111-Q2115 WeakPolarHBondContact O-CA 3Å; S2111-Q2115 WeakPolarHBondContact O-CB 3.22Å; S2111-Q2115 WeakPolarHBondContact O-CG 3.42Å; S2111-Q2115 PolarHBondContact O-N 2.93Å; L2112-Q2115 CarbonylContact O-C 3.33Å; L2112-Q2115 PolarHBondContact O-N 3.36Å; Q2115-R2119 VanDerWaalsContact O-CB 3.27Å; Q2115-R2119 WeakPolarHBondContact O-CB 2.87Å; Q2115-R2119 PolarHBondContact O-N 3.2Å; Q2115-R2119 PolarHBondContact O-NE 3.33Å |
| 2116 | R | 64.9 | Low | 61.8 | Low | 118 Ų | 118 | 82.3 Ų | 82.3 | 45% | 0.445 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -85.2 | -40.5 | 165.3 | -73.8 | 169.9 | 166 | -179.3 | -6.5 | 110.8 | L2112 N2113 E2114 R2119 V2120 | L2112-R2116 WeakPolarHBondContact O-CB 3.22Å; L2112-R2116 WeakPolarHBondContact O-CG 3.43Å; L2112-R2116 PolarHBondContact O-N 3.09Å; N2113-R2116 CarbonylContact O-C 2.9Å; E2114-R2116 VanDerWaalsContact C-N 3.33Å; R2116-R2119 CarbonylContact O-C 2.79Å; R2116-R2119 PolarHBondContact O-N 2.85Å; R2116-R2119 VanDerWaalsContact O-N 3.07Å; R2116-V2120 WeakPolarHBondContact O-CG2 3.2Å; R2116-V2120 PolarHBondContact O-N 2.7Å |
| 2117 | R | 62.2 | Low | 61.6 | Low | 161 Ų | 161 | 81.8 Ų | 81.8 | 61% | 0.608 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.7 | -44.6 | 169.6 | -134.9 | 179.2 | -150.6 | 151.2 | 5.1 | 110.3 | N2113 E2114 R2119 V2120 L2121 | N2113-R2117 VanDerWaalsContact O-CB 3.28Å; N2113-R2117 WeakPolarHBondContact O-CB 2.94Å; N2113-R2117 PolarHBondContact O-N 3.16Å; E2114-R2117 WeakPolarHBondContact OE2-CD 3.35Å; E2114-R2117 IonicContact OE2-NH1 3.81Å; R2117-R2119 VanDerWaalsContact C-N 3.25Å; R2117-R2119 PolarHBondContact O-N 3.02Å; R2117-V2120 PolarHBondContact O-N 2.93Å; R2117-L2121 HydrophobicContact CB-CD1 4.45Å; R2117-L2121 HydrophobicContact CG-CD1 4.17Å; R2117-L2121 WeakPolarHBondContact O-CA 2.85Å; R2117-L2121 WeakPolarHBondContact O-CB 3.24Å; R2117-L2121 WeakPolarHBondContact O-CG 3.43Å; R2117-L2121 PolarHBondContact O-N 3.12Å |
| 2118 | Q | 60.8 | Low | 61.5 | Low | 94 Ų | 94 | 84.5 Ų | 84.5 | 44% | 0.439 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.4 | -24.6 | 166.7 | -72.3 | 160 | 6.7 | 0 | 0 | 112.1 | E2114 L2122 | E2114-Q2118 HydrophobicContact CG-CG 4.48Å; E2114-Q2118 WeakPolarHBondContact O-CA 3.31Å; E2114-Q2118 WeakPolarHBondContact O-CB 3.01Å; E2114-Q2118 WeakPolarHBondContact O-CG 3.11Å; E2114-Q2118 PolarHBondContact O-N 3.39Å; E2114-Q2118 PolarHBondContact O-OE1 2.94Å; Q2118-L2122 VanDerWaalsContact O-CA 3.29Å; Q2118-L2122 WeakPolarHBondContact O-CA 3.33Å; Q2118-L2122 WeakPolarHBondContact O-CB 3.21Å; Q2118-L2122 VanDerWaalsContact O-CD1 3.25Å; Q2118-L2122 WeakPolarHBondContact O-CD1 3.21Å; Q2118-L2122 WeakPolarHBondContact O-CG 3.39Å; Q2118-L2122 PolarHBondContact O-N 2.6Å |
| 2119 | R | 63.8 | Low | 60.9 | Low | 98 Ų | 98 | 85.7 Ų | 85.7 | 37% | 0.37 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -76.8 | -36.4 | 171.4 | -100.7 | -178.9 | -79.6 | -174.4 | -12.8 | 113.4 | Q2115 R2116 R2117 L2122 S2123 E2577 | Q2115-R2119 VanDerWaalsContact O-CB 3.27Å; Q2115-R2119 WeakPolarHBondContact O-CB 2.87Å; Q2115-R2119 PolarHBondContact O-N 3.2Å; Q2115-R2119 PolarHBondContact O-NE 3.33Å; R2116-R2119 CarbonylContact O-C 2.79Å; R2116-R2119 PolarHBondContact O-N 2.85Å; R2116-R2119 VanDerWaalsContact O-N 3.07Å; R2117-R2119 VanDerWaalsContact C-N 3.25Å; R2117-R2119 PolarHBondContact O-N 3.02Å; R2119-L2122 CarbonylContact O-C 3.04Å; R2119-L2122 PolarHBondContact O-N 3.03Å; R2119-S2123 PolarHBondContact O-N 2.86Å; R2119-E2577 IonicContact NH1-OE1 3.79Å; R2119-E2577 PolarHBondContact NH1-OE1 2.65Å |
| 2120 | V | 62.5 | Low | 61 | Low | 90 Ų | 90 | 89.4 Ų | 89.4 | 55% | 0.545 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -74.9 | -42.1 | 173.6 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | R2116 R2117 L2122 S2123 D2124 | R2116-V2120 WeakPolarHBondContact O-CG2 3.2Å; R2116-V2120 PolarHBondContact O-N 2.7Å; R2117-V2120 PolarHBondContact O-N 2.93Å; V2120-L2122 VanDerWaalsContact C-N 3.33Å; V2120-S2123 CarbonylContact O-C 3.08Å; V2120-S2123 WeakPolarHBondContact O-CA 3.28Å; V2120-S2123 VanDerWaalsContact O-CB 3.27Å; V2120-S2123 WeakPolarHBondContact O-CB 3.31Å; V2120-S2123 PolarHBondContact O-N 3.48Å; V2120-D2124 WeakPolarHBondContact O-CB 3.35Å; V2120-D2124 PolarHBondContact O-N 2.74Å |
| 2121 | L | 59.7 | Low | 60.5 | Low | 73 Ų | 73 | 92.2 Ų | 92.2 | 38% | 0.382 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68 | -24.3 | 168.5 | -66.7 | 169.1 | 0 | 0 | 0 | 112.1 | R2117 S2123 E2125 | R2117-L2121 HydrophobicContact CB-CD1 4.45Å; R2117-L2121 HydrophobicContact CG-CD1 4.17Å; R2117-L2121 WeakPolarHBondContact O-CA 2.85Å; R2117-L2121 WeakPolarHBondContact O-CB 3.24Å; R2117-L2121 WeakPolarHBondContact O-CG 3.43Å; R2117-L2121 PolarHBondContact O-N 3.12Å; L2121-S2123 VanDerWaalsContact C-N 3.32Å; L2121-E2125 VanDerWaalsContact O-CA 3.22Å; L2121-E2125 WeakPolarHBondContact O-CA 3.09Å; L2121-E2125 WeakPolarHBondContact O-CB 3.18Å; L2121-E2125 WeakPolarHBondContact O-CG 3.33Å; L2121-E2125 PolarHBondContact O-N 3.21Å |
| 2122 | L | 55.3 | Low | 60.1 | Low | 92 Ų | 92 | 92 Ų | 92 | 48% | 0.482 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -81.8 | -14.3 | 166.2 | -78.9 | 163.9 | 0 | 0 | 0 | 111.1 | Q2118 R2119 V2120 L2126 | Q2118-L2122 VanDerWaalsContact O-CA 3.29Å; Q2118-L2122 WeakPolarHBondContact O-CA 3.33Å; Q2118-L2122 WeakPolarHBondContact O-CB 3.21Å; Q2118-L2122 VanDerWaalsContact O-CD1 3.25Å; Q2118-L2122 WeakPolarHBondContact O-CD1 3.21Å; Q2118-L2122 WeakPolarHBondContact O-CG 3.39Å; Q2118-L2122 PolarHBondContact O-N 2.6Å; R2119-L2122 CarbonylContact O-C 3.04Å; R2119-L2122 PolarHBondContact O-N 3.03Å; V2120-L2122 VanDerWaalsContact C-N 3.33Å; L2122-L2126 WeakPolarHBondContact O-CA 3.05Å; L2122-L2126 WeakPolarHBondContact O-CB 3.23Å; L2122-L2126 VanDerWaalsContact O-CD1 3.28Å; L2122-L2126 WeakPolarHBondContact O-CD1 3.43Å; L2122-L2126 WeakPolarHBondContact O-CG 3.05Å; L2122-L2126 PolarHBondContact O-N 3.17Å |
| 2123 | S | 61.6 | Low | 60 | Low | 60 Ų | 60 | 93.8 Ų | 93.8 | 42% | 0.42 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -83.6 | -40 | 167.8 | -165.2 | 0 | 0 | 0 | 0 | 110.5 | R2119 V2120 L2121 L2126 N2127 | R2119-S2123 PolarHBondContact O-N 2.86Å; V2120-S2123 CarbonylContact O-C 3.08Å; V2120-S2123 WeakPolarHBondContact O-CA 3.28Å; V2120-S2123 VanDerWaalsContact O-CB 3.27Å; V2120-S2123 WeakPolarHBondContact O-CB 3.31Å; V2120-S2123 PolarHBondContact O-N 3.48Å; L2121-S2123 VanDerWaalsContact C-N 3.32Å; S2123-L2126 CarbonylContact O-C 3.37Å; S2123-L2126 WeakPolarHBondContact O-CB 3.43Å; S2123-L2126 PolarHBondContact O-N 2.7Å; S2123-N2127 PolarHBondContact O-N 2.87Å; S2123-N2127 PolarHBondContact O-ND2 3.13Å; S2123-N2127 VanDerWaalsContact O-ND2 3.09Å |
| 2124 | D | 60 | Low | 59.8 | Low | 84 Ų | 84 | 96 Ų | 96 | 45% | 0.449 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -80.6 | -28.1 | 176.7 | -69.6 | -28.8 | 0 | 0 | 0 | 111.6 | V2120 N2127 H2128 | V2120-D2124 WeakPolarHBondContact O-CB 3.35Å; V2120-D2124 PolarHBondContact O-N 2.74Å; D2124-N2127 CarbonylContact O-C 3.05Å; D2124-H2128 WeakPolarHBondContact O-CA 3.29Å; D2124-H2128 VanDerWaalsContact O-CB 3.22Å; D2124-H2128 WeakPolarHBondContact O-CB 3.16Å; D2124-H2128 PolarHBondContact O-N 3.24Å |
| 2125 | E | 59.1 | Low | 59.5 | Low | 99 Ų | 99 | 97.5 Ų | 97.5 | 46% | 0.463 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -80.7 | -15.2 | 159 | -67.6 | 170.7 | -173.8 | 0 | 0 | 111.3 | L2121 L2129 | L2121-E2125 VanDerWaalsContact O-CA 3.22Å; L2121-E2125 WeakPolarHBondContact O-CA 3.09Å; L2121-E2125 WeakPolarHBondContact O-CB 3.18Å; L2121-E2125 WeakPolarHBondContact O-CG 3.33Å; L2121-E2125 PolarHBondContact O-N 3.21Å; E2125-L2129 HydrophobicContact CB-CD1 4.05Å; E2125-L2129 VanDerWaalsContact O-CA 3.27Å; E2125-L2129 WeakPolarHBondContact O-CA 3.33Å; E2125-L2129 WeakPolarHBondContact O-CB 3.28Å; E2125-L2129 WeakPolarHBondContact O-CD1 3.48Å; E2125-L2129 WeakPolarHBondContact O-CG 3.22Å; E2125-L2129 PolarHBondContact O-N 2.75Å |
| 2126 | L | 57.5 | Low | 59.8 | Low | 119 Ų | 119 | 94.2 Ų | 94.2 | 62% | 0.623 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -75.7 | -32.4 | 162.4 | -93.5 | 164 | 0 | 0 | 0 | 110.1 | L2122 S2123 L2129 E2130 | L2122-L2126 WeakPolarHBondContact O-CA 3.05Å; L2122-L2126 WeakPolarHBondContact O-CB 3.23Å; L2122-L2126 VanDerWaalsContact O-CD1 3.28Å; L2122-L2126 WeakPolarHBondContact O-CD1 3.43Å; L2122-L2126 WeakPolarHBondContact O-CG 3.05Å; L2122-L2126 PolarHBondContact O-N 3.17Å; S2123-L2126 CarbonylContact O-C 3.37Å; S2123-L2126 WeakPolarHBondContact O-CB 3.43Å; S2123-L2126 PolarHBondContact O-N 2.7Å; L2126-L2129 CarbonylContact O-C 3.57Å; L2126-E2130 VanDerWaalsContact O-CB 3.28Å; L2126-E2130 WeakPolarHBondContact O-CB 3.21Å; L2126-E2130 PolarHBondContact O-N 3.49Å |
| 2127 | N | 62.8 | Low | 60 | Low | 82 Ų | 82 | 94.7 Ų | 94.7 | 44% | 0.439 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -76.1 | -40.2 | 172.7 | -63.4 | -32 | 0 | 0 | 0 | 111.4 | S2123 D2124 E2130 E2131 | S2123-N2127 PolarHBondContact O-N 2.87Å; S2123-N2127 PolarHBondContact O-ND2 3.13Å; S2123-N2127 VanDerWaalsContact O-ND2 3.09Å; D2124-N2127 CarbonylContact O-C 3.05Å; N2127-E2130 CarbonylContact O-C 3.56Å; N2127-E2130 WeakPolarHBondContact O-CA 3.3Å; N2127-E2130 WeakPolarHBondContact O-CB 3.2Å; N2127-E2130 PolarHBondContact O-N 2.78Å; N2127-E2131 PolarHBondContact O-N 2.71Å |
| 2128 | H | 61.5 | Low | 59.8 | Low | 122 Ų | 122 | 91.6 Ų | 91.6 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -77.9 | -21 | 171.1 | -90.7 | 17.3 | 0 | 0 | 0 | 112.6 | D2124 E2131 A2132 | D2124-H2128 WeakPolarHBondContact O-CA 3.29Å; D2124-H2128 VanDerWaalsContact O-CB 3.22Å; D2124-H2128 WeakPolarHBondContact O-CB 3.16Å; D2124-H2128 PolarHBondContact O-N 3.24Å; H2128-E2131 IonicContact CE1-OE2 2.64Å; H2128-E2131 IonicContact ND1-OE2 2.69Å; H2128-E2131 PolarHBondContact ND1-OE2 3.18Å; H2128-A2132 VanDerWaalsContact O-CA 3.3Å; H2128-A2132 WeakPolarHBondContact O-CA 3.48Å; H2128-A2132 WeakPolarHBondContact O-CB 3.18Å; H2128-A2132 PolarHBondContact O-N 3.1Å |
| 2129 | L | 49.5 | Very low | 59.8 | Low | 93 Ų | 93 | 89.7 Ų | 89.7 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -81.7 | -11 | 157.2 | -88.1 | 80.5 | 0 | 0 | 0 | 111 | E2125 L2126 V2133 | E2125-L2129 HydrophobicContact CB-CD1 4.05Å; E2125-L2129 VanDerWaalsContact O-CA 3.27Å; E2125-L2129 WeakPolarHBondContact O-CA 3.33Å; E2125-L2129 WeakPolarHBondContact O-CB 3.28Å; E2125-L2129 WeakPolarHBondContact O-CD1 3.48Å; E2125-L2129 WeakPolarHBondContact O-CG 3.22Å; E2125-L2129 PolarHBondContact O-N 2.75Å; L2126-L2129 CarbonylContact O-C 3.57Å; L2129-V2133 HydrophobicContact CB-CG2 4.44Å; L2129-V2133 VanDerWaalsContact O-CA 3.25Å; L2129-V2133 WeakPolarHBondContact O-CA 3.42Å; L2129-V2133 WeakPolarHBondContact O-CB 3.24Å; L2129-V2133 WeakPolarHBondContact O-CG2 3.38Å; L2129-V2133 PolarHBondContact O-N 3.17Å |
| 2130 | E | 63.7 | Low | 59.5 | Low | 120 Ų | 120 | 90.6 Ų | 90.6 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -82.2 | -35.8 | 167 | -168.3 | 157.2 | -129.4 | 0 | 0 | 109.5 | L2126 N2127 V2133 H2134 | L2126-E2130 VanDerWaalsContact O-CB 3.28Å; L2126-E2130 WeakPolarHBondContact O-CB 3.21Å; L2126-E2130 PolarHBondContact O-N 3.49Å; N2127-E2130 CarbonylContact O-C 3.56Å; N2127-E2130 WeakPolarHBondContact O-CA 3.3Å; N2127-E2130 WeakPolarHBondContact O-CB 3.2Å; N2127-E2130 PolarHBondContact O-N 2.78Å; E2130-V2133 CarbonylContact O-C 3.18Å; E2130-V2133 VanDerWaalsContact O-C 3.3Å; E2130-H2134 VanDerWaalsContact O-CB 3.25Å; E2130-H2134 WeakPolarHBondContact O-CB 3.49Å; E2130-H2134 PolarHBondContact O-N 2.7Å |
| 2131 | E | 54 | Low | 59.8 | Low | 123 Ų | 123 | 91.7 Ų | 91.7 | 58% | 0.575 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -76.7 | -25.7 | 168.1 | -67.5 | -172.3 | 145.7 | 0 | 0 | 113.4 | N2127 H2128 H2134 T2135 | N2127-E2131 PolarHBondContact O-N 2.71Å; H2128-E2131 IonicContact CE1-OE2 2.64Å; H2128-E2131 IonicContact ND1-OE2 2.69Å; H2128-E2131 PolarHBondContact ND1-OE2 3.18Å; E2131-H2134 CarbonylContact O-C 3.03Å; E2131-H2134 PolarHBondContact O-N 2.68Å; E2131-T2135 WeakPolarHBondContact O-CB 3.4Å; E2131-T2135 PolarHBondContact O-N 2.99Å; E2131-T2135 PolarHBondContact O-OG1 2.73Å |
| 2132 | A | 58 | Low | 59.8 | Low | 50 Ų | 50 | 93.3 Ų | 93.3 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -100.2 | -2.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | H2128 T2135 G2136 | H2128-A2132 VanDerWaalsContact O-CA 3.3Å; H2128-A2132 WeakPolarHBondContact O-CA 3.48Å; H2128-A2132 WeakPolarHBondContact O-CB 3.18Å; H2128-A2132 PolarHBondContact O-N 3.1Å; A2132-T2135 WeakPolarHBondContact CA-OG1 3.36Å; A2132-G2136 WeakPolarHBondContact O-CA 3.46Å; A2132-G2136 PolarHBondContact O-N 3.41Å |
| 2133 | V | 58.9 | Low | 60 | Low | 60 Ų | 60 | 91.4 Ų | 91.4 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 8 | 149.4 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | L2129 E2130 R2137 | L2129-V2133 HydrophobicContact CB-CG2 4.44Å; L2129-V2133 VanDerWaalsContact O-CA 3.25Å; L2129-V2133 WeakPolarHBondContact O-CA 3.42Å; L2129-V2133 WeakPolarHBondContact O-CB 3.24Å; L2129-V2133 WeakPolarHBondContact O-CG2 3.38Å; L2129-V2133 PolarHBondContact O-N 3.17Å; E2130-V2133 CarbonylContact O-C 3.18Å; E2130-V2133 VanDerWaalsContact O-C 3.3Å; V2133-R2137 VanDerWaalsContact C-N 3.25Å; V2133-R2137 HydrophobicContact CG1-CG 4.04Å; V2133-R2137 WeakPolarHBondContact O-CA 3.27Å; V2133-R2137 WeakPolarHBondContact O-CB 3.31Å; V2133-R2137 WeakPolarHBondContact O-CD 3.18Å; V2133-R2137 WeakPolarHBondContact O-CG 3.42Å; V2133-R2137 PolarHBondContact O-N 2.57Å; V2133-R2137 PolarHBondContact O-NE 2.93Å |
| 2134 | H | 64.6 | Low | 60.5 | Low | 123 Ų | 123 | 90.3 Ų | 90.3 | 57% | 0.569 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -54.1 | 159.8 | -164.1 | -21.6 | 0 | 0 | 0 | 110.7 | E2130 E2131 G2136 R2137 L2138 | E2130-H2134 VanDerWaalsContact O-CB 3.25Å; E2130-H2134 WeakPolarHBondContact O-CB 3.49Å; E2130-H2134 PolarHBondContact O-N 2.7Å; E2131-H2134 CarbonylContact O-C 3.03Å; E2131-H2134 PolarHBondContact O-N 2.68Å; H2134-G2136 PolarHBondContact O-N 3.09Å; H2134-R2137 CarbonylContact O-C 3.35Å; H2134-R2137 WeakPolarHBondContact O-CA 3.39Å; H2134-R2137 PolarHBondContact O-N 2.66Å; H2134-R2137 VanDerWaalsContact O-N 3.08Å; H2134-L2138 WeakPolarHBondContact O-CB 3.27Å; H2134-L2138 PolarHBondContact O-N 2.92Å |
| 2135 | T | 56.4 | Low | 60.8 | Low | 94 Ų | 94 | 91.9 Ų | 91.9 | 58% | 0.577 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -71.4 | -20.9 | 169.3 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | E2131 A2132 L2138 A2139 | E2131-T2135 WeakPolarHBondContact O-CB 3.4Å; E2131-T2135 PolarHBondContact O-N 2.99Å; E2131-T2135 PolarHBondContact O-OG1 2.73Å; A2132-T2135 WeakPolarHBondContact CA-OG1 3.36Å; T2135-L2138 CarbonylContact O-C 3.41Å; T2135-A2139 WeakPolarHBondContact O-CB 3.45Å; T2135-A2139 PolarHBondContact O-N 2.79Å |
| 2136 | G | 59 | Low | 60.8 | Low | 23 Ų | 23 | 90.3 Ų | 90.3 | 24% | 0.237 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -103.5 | 9.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115 | A2132 H2134 K2140 | A2132-G2136 WeakPolarHBondContact O-CA 3.46Å; A2132-G2136 PolarHBondContact O-N 3.41Å; H2134-G2136 PolarHBondContact O-N 3.09Å; G2136-K2140 WeakPolarHBondContact O-CA 3.38Å; G2136-K2140 WeakPolarHBondContact O-CB 3.38Å; G2136-K2140 PolarHBondContact O-N 3.25Å |
| 2137 | R | 70.1 | Confident | 61.3 | Low | 129 Ų | 129 | 89.3 Ų | 89.3 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -81.8 | -28.5 | 142.5 | -92.1 | 161.4 | -155.3 | 139.5 | 1.1 | 109.9 | V2133 H2134 K2140 Q2141 | V2133-R2137 VanDerWaalsContact C-N 3.25Å; V2133-R2137 HydrophobicContact CG1-CG 4.04Å; V2133-R2137 WeakPolarHBondContact O-CA 3.27Å; V2133-R2137 WeakPolarHBondContact O-CB 3.31Å; V2133-R2137 WeakPolarHBondContact O-CD 3.18Å; V2133-R2137 WeakPolarHBondContact O-CG 3.42Å; V2133-R2137 PolarHBondContact O-N 2.57Å; V2133-R2137 PolarHBondContact O-NE 2.93Å; H2134-R2137 CarbonylContact O-C 3.35Å; H2134-R2137 WeakPolarHBondContact O-CA 3.39Å; H2134-R2137 PolarHBondContact O-N 2.66Å; H2134-R2137 VanDerWaalsContact O-N 3.08Å; R2137-K2140 CarbonylContact O-C 3.5Å; R2137-Q2141 WeakPolarHBondContact O-CA 3.41Å; R2137-Q2141 VanDerWaalsContact O-CB 3.23Å; R2137-Q2141 WeakPolarHBondContact O-CB 3.44Å; R2137-Q2141 WeakPolarHBondContact O-CG 3.37Å; R2137-Q2141 PolarHBondContact O-N 2.69Å |
| 2138 | L | 57.4 | Low | 61.8 | Low | 96 Ų | 96 | 91 Ų | 91 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -78.5 | -41.1 | 175.2 | -159.4 | 86.7 | 0 | 0 | 0 | 111.2 | H2134 T2135 Q2141 L2142 | H2134-L2138 WeakPolarHBondContact O-CB 3.27Å; H2134-L2138 PolarHBondContact O-N 2.92Å; T2135-L2138 CarbonylContact O-C 3.41Å; L2138-Q2141 CarbonylContact O-C 3.34Å; L2138-Q2141 WeakPolarHBondContact O-CA 3.42Å; L2138-Q2141 WeakPolarHBondContact O-CB 3.32Å; L2138-Q2141 PolarHBondContact O-N 2.9Å; L2138-Q2141 VanDerWaalsContact O-N 3.1Å; L2138-L2142 WeakPolarHBondContact O-CG 3.35Å; L2138-L2142 PolarHBondContact O-N 2.75Å |
| 2139 | A | 60.5 | Low | 61.8 | Low | 53 Ų | 53 | 88.1 Ų | 88.1 | 44% | 0.438 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -80.8 | -21.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T2135 A2143 | T2135-A2139 WeakPolarHBondContact O-CB 3.45Å; T2135-A2139 PolarHBondContact O-N 2.79Å; A2139-A2143 WeakPolarHBondContact O-CA 3.21Å; A2139-A2143 WeakPolarHBondContact O-CB 3.27Å; A2139-A2143 PolarHBondContact O-N 2.69Å |
| 2140 | K | 57.8 | Low | 62.3 | Low | 118 Ų | 118 | 86.6 Ų | 86.6 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -75.8 | -18.7 | 156.5 | 179 | 173.6 | 169.7 | 177.8 | 0 | 112.2 | G2136 R2137 A2143 D2144 | G2136-K2140 WeakPolarHBondContact O-CA 3.38Å; G2136-K2140 WeakPolarHBondContact O-CB 3.38Å; G2136-K2140 PolarHBondContact O-N 3.25Å; R2137-K2140 CarbonylContact O-C 3.5Å; K2140-A2143 CarbonylContact O-C 3.54Å; K2140-D2144 WeakPolarHBondContact CE-OD1 3.38Å; K2140-D2144 WeakPolarHBondContact CE-OD2 3.37Å; K2140-D2144 VanDerWaalsContact CG-OD2 3.29Å; K2140-D2144 WeakPolarHBondContact CG-OD2 3.15Å; K2140-D2144 VanDerWaalsContact O-CA 3.22Å; K2140-D2144 WeakPolarHBondContact O-CA 3.32Å; K2140-D2144 WeakPolarHBondContact O-CB 3.4Å; K2140-D2144 PolarHBondContact O-N 3.23Å |
| 2141 | Q | 68.8 | Low | 62.4 | Low | 113 Ų | 113 | 84.3 Ų | 84.3 | 53% | 0.528 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -77.5 | -42.9 | 168.4 | -88.8 | 170.5 | -39.5 | 0 | 0 | 109.8 | R2137 L2138 A2143 D2144 E2145 | R2137-Q2141 WeakPolarHBondContact O-CA 3.41Å; R2137-Q2141 VanDerWaalsContact O-CB 3.23Å; R2137-Q2141 WeakPolarHBondContact O-CB 3.44Å; R2137-Q2141 WeakPolarHBondContact O-CG 3.37Å; R2137-Q2141 PolarHBondContact O-N 2.69Å; L2138-Q2141 CarbonylContact O-C 3.34Å; L2138-Q2141 WeakPolarHBondContact O-CA 3.42Å; L2138-Q2141 WeakPolarHBondContact O-CB 3.32Å; L2138-Q2141 PolarHBondContact O-N 2.9Å; L2138-Q2141 VanDerWaalsContact O-N 3.1Å; Q2141-A2143 VanDerWaalsContact C-N 3.32Å; Q2141-A2143 PolarHBondContact O-N 3.25Å; Q2141-D2144 CarbonylContact O-C 3.48Å; Q2141-D2144 PolarHBondContact O-N 3.2Å; Q2141-E2145 WeakPolarHBondContact O-CB 3.36Å; Q2141-E2145 WeakPolarHBondContact O-CG 3.38Å; Q2141-E2145 PolarHBondContact O-N 2.97Å |
| 2142 | L | 58.5 | Low | 63.2 | Low | 107 Ų | 107 | 81.2 Ų | 81.2 | 56% | 0.56 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -69 | -28.8 | 171.6 | -66.6 | 167.1 | 0 | 0 | 0 | 112.5 | L2138 S2146 | L2138-L2142 WeakPolarHBondContact O-CG 3.35Å; L2138-L2142 PolarHBondContact O-N 2.75Å; L2142-S2146 WeakPolarHBondContact O-CB 3.29Å; L2142-S2146 PolarHBondContact O-N 2.74Å |
| 2143 | A | 60.6 | Low | 63.4 | Low | 52 Ų | 52 | 81.8 Ų | 81.8 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -93.5 | -9.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A2139 K2140 Q2141 R2147 | A2139-A2143 WeakPolarHBondContact O-CA 3.21Å; A2139-A2143 WeakPolarHBondContact O-CB 3.27Å; A2139-A2143 PolarHBondContact O-N 2.69Å; K2140-A2143 CarbonylContact O-C 3.54Å; Q2141-A2143 VanDerWaalsContact C-N 3.32Å; Q2141-A2143 PolarHBondContact O-N 3.25Å; A2143-R2147 WeakPolarHBondContact O-CA 3.23Å; A2143-R2147 WeakPolarHBondContact O-CB 3.31Å; A2143-R2147 PolarHBondContact O-N 3.3Å |
| 2144 | D | 71.2 | Confident | 63.4 | Low | 36 Ų | 36 | 84 Ų | 84 | 19% | 0.193 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -88.9 | -27.9 | 162.6 | -76.8 | -21.5 | 0 | 0 | 0 | 109.3 | K2140 Q2141 R2147 E2148 | K2140-D2144 WeakPolarHBondContact CE-OD1 3.38Å; K2140-D2144 WeakPolarHBondContact CE-OD2 3.37Å; K2140-D2144 VanDerWaalsContact CG-OD2 3.29Å; K2140-D2144 WeakPolarHBondContact CG-OD2 3.15Å; K2140-D2144 VanDerWaalsContact O-CA 3.22Å; K2140-D2144 WeakPolarHBondContact O-CA 3.32Å; K2140-D2144 WeakPolarHBondContact O-CB 3.4Å; K2140-D2144 PolarHBondContact O-N 3.23Å; Q2141-D2144 CarbonylContact O-C 3.48Å; Q2141-D2144 PolarHBondContact O-N 3.2Å; D2144-R2147 CarbonylContact O-C 3.53Å; D2144-R2147 IonicContact OD1-CZ 3.9Å; D2144-R2147 VanDerWaalsContact OD1-CZ 3.23Å; D2144-R2147 IonicContact OD1-NE 2.64Å; D2144-R2147 PolarHBondContact OD1-NE 2.87Å; D2144-R2147 IonicContact OD1-NH2 3.15Å; D2144-R2147 PolarHBondContact OD1-NH2 3.46Å; D2144-R2147 IonicContact OD2-NH2 3.43Å; D2144-E2148 WeakPolarHBondContact O-CA 3.4Å; D2144-E2148 WeakPolarHBondContact O-CB 3.34Å; D2144-E2148 WeakPolarHBondContact O-CG 3.48Å; D2144-E2148 PolarHBondContact O-N 2.78Å |
| 2145 | E | 67.6 | Low | 63.8 | Low | 117 Ų | 117 | 84.6 Ų | 84.6 | 55% | 0.547 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -71.9 | -41 | 164.5 | -77.4 | 170.1 | -159.5 | 0 | 0 | 110 | Q2141 E2148 A2149 | Q2141-E2145 WeakPolarHBondContact O-CB 3.36Å; Q2141-E2145 WeakPolarHBondContact O-CG 3.38Å; Q2141-E2145 PolarHBondContact O-N 2.97Å; E2145-E2148 PolarHBondContact O-N 2.75Å; E2145-A2149 WeakPolarHBondContact O-CB 3.44Å; E2145-A2149 PolarHBondContact O-N 2.84Å |
| 2146 | S | 59.4 | Low | 64.5 | Low | 67 Ų | 67 | 81.1 Ų | 81.1 | 47% | 0.469 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -76.9 | -27.3 | 173.9 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | L2142 S2150 | L2142-S2146 WeakPolarHBondContact O-CB 3.29Å; L2142-S2146 PolarHBondContact O-N 2.74Å; S2146-S2150 WeakPolarHBondContact O-CA 3.08Å; S2146-S2150 WeakPolarHBondContact O-CB 2.94Å; S2146-S2150 PolarHBondContact O-N 3.41Å; S2146-S2150 PolarHBondContact O-OG 3.23Å |
| 2147 | R | 67.1 | Low | 64.4 | Low | 97 Ų | 97 | 82.1 Ų | 82.1 | 37% | 0.366 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -78 | -31.7 | 167.6 | 177.4 | -176.7 | 65.7 | 74.7 | 7.1 | 110.7 | A2143 D2144 S2150 E2151 | A2143-R2147 WeakPolarHBondContact O-CA 3.23Å; A2143-R2147 WeakPolarHBondContact O-CB 3.31Å; A2143-R2147 PolarHBondContact O-N 3.3Å; D2144-R2147 CarbonylContact O-C 3.53Å; D2144-R2147 IonicContact OD1-CZ 3.9Å; D2144-R2147 VanDerWaalsContact OD1-CZ 3.23Å; D2144-R2147 IonicContact OD1-NE 2.64Å; D2144-R2147 PolarHBondContact OD1-NE 2.87Å; D2144-R2147 IonicContact OD1-NH2 3.15Å; D2144-R2147 PolarHBondContact OD1-NH2 3.46Å; D2144-R2147 IonicContact OD2-NH2 3.43Å; R2147-S2150 CarbonylContact O-C 3.39Å; R2147-S2150 PolarHBondContact O-N 2.74Å; R2147-E2151 VanDerWaalsContact CD-OE1 3.25Å; R2147-E2151 WeakPolarHBondContact CD-OE1 3.41Å; R2147-E2151 HydrophobicContact CG-CG 3.87Å; R2147-E2151 WeakPolarHBondContact CG-OE1 3.39Å; R2147-E2151 IonicContact CZ-OE1 3.23Å; R2147-E2151 IonicContact NE-OE1 2.64Å; R2147-E2151 IonicContact NH1-OE1 3.96Å; R2147-E2151 PolarHBondContact NH1-OE1 3Å; R2147-E2151 IonicContact NH1-OE2 2.66Å; R2147-E2151 PolarHBondContact NH1-OE2 3.16Å; R2147-E2151 VanDerWaalsContact O-CA 3.29Å; R2147-E2151 WeakPolarHBondContact O-CA 3.32Å; R2147-E2151 WeakPolarHBondContact O-CB 3.26Å; R2147-E2151 WeakPolarHBondContact O-CG 3.37Å; R2147-E2151 PolarHBondContact O-N 3.01Å |
| 2148 | E | 72.7 | Confident | 64.4 | Low | 119 Ų | 119 | 78.4 Ų | 78.4 | 56% | 0.556 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -72.6 | -34.1 | 171.3 | -82.2 | 168.7 | -163.8 | 0 | 0 | 110.6 | D2144 E2145 E2151 A2152 | D2144-E2148 WeakPolarHBondContact O-CA 3.4Å; D2144-E2148 WeakPolarHBondContact O-CB 3.34Å; D2144-E2148 WeakPolarHBondContact O-CG 3.48Å; D2144-E2148 PolarHBondContact O-N 2.78Å; E2145-E2148 PolarHBondContact O-N 2.75Å; E2148-E2151 CarbonylContact O-C 3.54Å; E2148-A2152 WeakPolarHBondContact O-CA 3.48Å; E2148-A2152 WeakPolarHBondContact O-CB 3.22Å; E2148-A2152 PolarHBondContact O-N 3.16Å |
| 2149 | A | 63 | Low | 65.2 | Low | 61 Ų | 61 | 77.3 Ų | 77.3 | 50% | 0.504 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71 | -37.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | E2145 A2153 | E2145-A2149 WeakPolarHBondContact O-CB 3.44Å; E2145-A2149 PolarHBondContact O-N 2.84Å; A2149-A2153 VanDerWaalsContact O-CB 3.29Å; A2149-A2153 WeakPolarHBondContact O-CB 3.41Å; A2149-A2153 PolarHBondContact O-N 3.29Å |
| 2150 | S | 59.8 | Low | 65.7 | Low | 60 Ų | 60 | 77.3 Ų | 77.3 | 42% | 0.42 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -80.1 | -18.2 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 113.5 | S2146 R2147 L2154 | S2146-S2150 WeakPolarHBondContact O-CA 3.08Å; S2146-S2150 WeakPolarHBondContact O-CB 2.94Å; S2146-S2150 PolarHBondContact O-N 3.41Å; S2146-S2150 PolarHBondContact O-OG 3.23Å; R2147-S2150 CarbonylContact O-C 3.39Å; R2147-S2150 PolarHBondContact O-N 2.74Å; S2150-L2154 WeakPolarHBondContact O-CA 3.33Å; S2150-L2154 WeakPolarHBondContact O-CB 3.43Å; S2150-L2154 PolarHBondContact O-N 2.7Å |
| 2151 | E | 66.1 | Low | 65.7 | Low | 72 Ų | 72 | 76.3 Ų | 76.3 | 34% | 0.336 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -98.8 | -10.2 | 171 | -75.4 | 177.4 | -168.5 | 0 | 0 | 111.3 | R2147 E2148 K2155 | R2147-E2151 VanDerWaalsContact CD-OE1 3.25Å; R2147-E2151 WeakPolarHBondContact CD-OE1 3.41Å; R2147-E2151 HydrophobicContact CG-CG 3.87Å; R2147-E2151 WeakPolarHBondContact CG-OE1 3.39Å; R2147-E2151 IonicContact CZ-OE1 3.23Å; R2147-E2151 IonicContact NE-OE1 2.64Å; R2147-E2151 IonicContact NH1-OE1 3.96Å; R2147-E2151 PolarHBondContact NH1-OE1 3Å; R2147-E2151 IonicContact NH1-OE2 2.66Å; R2147-E2151 PolarHBondContact NH1-OE2 3.16Å; R2147-E2151 VanDerWaalsContact O-CA 3.29Å; R2147-E2151 WeakPolarHBondContact O-CA 3.32Å; R2147-E2151 WeakPolarHBondContact O-CB 3.26Å; R2147-E2151 WeakPolarHBondContact O-CG 3.37Å; R2147-E2151 PolarHBondContact O-N 3.01Å; E2148-E2151 CarbonylContact O-C 3.54Å; E2151-K2155 WeakPolarHBondContact O-CA 3.41Å; E2151-K2155 WeakPolarHBondContact O-CB 3.47Å; E2151-K2155 WeakPolarHBondContact O-CG 3.42Å; E2151-K2155 PolarHBondContact O-N 3.05Å |
| 2152 | A | 70.2 | Confident | 65.9 | Low | 58 Ų | 58 | 74.7 Ų | 74.7 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -82.2 | -38.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | E2148 S2156 | E2148-A2152 WeakPolarHBondContact O-CA 3.48Å; E2148-A2152 WeakPolarHBondContact O-CB 3.22Å; E2148-A2152 PolarHBondContact O-N 3.16Å; A2152-S2156 VanDerWaalsContact O-CB 3.26Å; A2152-S2156 WeakPolarHBondContact O-CB 3.46Å; A2152-S2156 PolarHBondContact O-N 2.87Å |
| 2153 | A | 62.4 | Low | 66.6 | Low | 62 Ų | 62 | 72.1 Ų | 72.1 | 51% | 0.512 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.8 | -40.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A2149 S2156 A2157 | A2149-A2153 VanDerWaalsContact O-CB 3.29Å; A2149-A2153 WeakPolarHBondContact O-CB 3.41Å; A2149-A2153 PolarHBondContact O-N 3.29Å; A2153-S2156 PolarHBondContact O-N 3.12Å; A2153-A2157 VanDerWaalsContact O-CB 3.22Å; A2153-A2157 WeakPolarHBondContact O-CB 3.43Å; A2153-A2157 PolarHBondContact O-N 2.88Å |
| 2154 | L | 58.5 | Low | 66.8 | Low | 107 Ų | 107 | 74.3 Ų | 74.3 | 56% | 0.56 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -72.1 | -39.1 | 172.5 | -119.3 | 92.4 | 0 | 0 | 0 | 110.6 | S2150 S2156 A2157 V2158 | S2150-L2154 WeakPolarHBondContact O-CA 3.33Å; S2150-L2154 WeakPolarHBondContact O-CB 3.43Å; S2150-L2154 PolarHBondContact O-N 2.7Å; L2154-S2156 VanDerWaalsContact C-N 3.33Å; L2154-S2156 PolarHBondContact O-N 2.78Å; L2154-A2157 CarbonylContact O-C 3.46Å; L2154-A2157 PolarHBondContact O-N 3.33Å; L2154-V2158 HydrophobicContact CD2-CG2 4.22Å; L2154-V2158 HydrophobicContact CG-CG2 4.36Å; L2154-V2158 VanDerWaalsContact O-CA 3.31Å; L2154-V2158 WeakPolarHBondContact O-CA 3.04Å; L2154-V2158 WeakPolarHBondContact O-CB 2.98Å; L2154-V2158 WeakPolarHBondContact O-CG2 3.43Å; L2154-V2158 PolarHBondContact O-N 2.84Å |
| 2155 | K | 73.3 | Confident | 66.4 | Low | 135 Ų | 135 | 78 Ų | 78 | 59% | 0.587 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -68.1 | -29.4 | 172.5 | -79.8 | 172.8 | 175.7 | 174.3 | 0 | 112 | E2151 N2159 | E2151-K2155 WeakPolarHBondContact O-CA 3.41Å; E2151-K2155 WeakPolarHBondContact O-CB 3.47Å; E2151-K2155 WeakPolarHBondContact O-CG 3.42Å; E2151-K2155 PolarHBondContact O-N 3.05Å; K2155-N2159 WeakPolarHBondContact O-CA 3.27Å; K2155-N2159 WeakPolarHBondContact O-CB 3.36Å; K2155-N2159 PolarHBondContact O-N 2.81Å; K2155-N2159 PolarHBondContact O-ND2 2.74Å; K2155-N2159 PolarHBondContact O-OD1 2.68Å |
| 2156 | S | 70.5 | Confident | 66.8 | Low | 21 Ų | 21 | 75.7 Ų | 75.7 | 15% | 0.147 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -71.9 | -39.8 | 168.8 | 178.9 | 0 | 0 | 0 | 0 | 111 | D1139 A2152 A2153 L2154 K2160 | D1139-S2156 WeakPolarHBondContact OD2-CB 2.98Å; D1139-S2156 PolarHBondContact OD2-OG 3.47Å; A2152-S2156 VanDerWaalsContact O-CB 3.26Å; A2152-S2156 WeakPolarHBondContact O-CB 3.46Å; A2152-S2156 PolarHBondContact O-N 2.87Å; A2153-S2156 PolarHBondContact O-N 3.12Å; L2154-S2156 VanDerWaalsContact C-N 3.33Å; L2154-S2156 PolarHBondContact O-N 2.78Å; S2156-K2160 WeakPolarHBondContact O-CB 3.48Å; S2156-K2160 WeakPolarHBondContact O-CG 3.13Å; S2156-K2160 PolarHBondContact O-N 3.46Å; S2156-K2160 WeakPolarHBondContact OG-CE 3.13Å |
| 2157 | A | 58.1 | Low | 67.2 | Low | 45 Ų | 45 | 76.9 Ų | 76.9 | 37% | 0.372 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -71.8 | -27.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A2153 L2154 L2161 | A2153-A2157 VanDerWaalsContact O-CB 3.22Å; A2153-A2157 WeakPolarHBondContact O-CB 3.43Å; A2153-A2157 PolarHBondContact O-N 2.88Å; L2154-A2157 CarbonylContact O-C 3.46Å; L2154-A2157 PolarHBondContact O-N 3.33Å; A2157-L2161 WeakPolarHBondContact O-CB 3.43Å; A2157-L2161 PolarHBondContact O-N 3.17Å |
| 2158 | V | 68.2 | Low | 67.4 | Low | 50 Ų | 50 | 77 Ų | 77 | 30% | 0.303 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -93.8 | -20.3 | 178 | 173 | 0 | 0 | 0 | 0 | 110.6 | L2154 N2162 | L2154-V2158 HydrophobicContact CD2-CG2 4.22Å; L2154-V2158 HydrophobicContact CG-CG2 4.36Å; L2154-V2158 VanDerWaalsContact O-CA 3.31Å; L2154-V2158 WeakPolarHBondContact O-CA 3.04Å; L2154-V2158 WeakPolarHBondContact O-CB 2.98Å; L2154-V2158 WeakPolarHBondContact O-CG2 3.43Å; L2154-V2158 PolarHBondContact O-N 2.84Å; V2158-N2162 VanDerWaalsContact O-CA 3.31Å; V2158-N2162 WeakPolarHBondContact O-CA 3.37Å; V2158-N2162 WeakPolarHBondContact O-CB 3.22Å; V2158-N2162 PolarHBondContact O-N 3.13Å; V2158-N2162 PolarHBondContact O-ND2 3.26Å; V2158-N2162 PolarHBondContact O-OD1 2.88Å |
| 2159 | N | 75.7 | Confident | 67.2 | Low | 74 Ų | 74 | 76.9 Ų | 76.9 | 40% | 0.396 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -74.3 | -46.5 | 161.1 | -71.9 | -5.3 | 0 | 0 | 0 | 108 | H1140 K2155 L2161 N2162 K2163 | H1140-N2159 VanDerWaalsContact CD2-C 3.43Å; H1140-N2159 PolarHBondContact CD2-O 3.16Å; H1140-N2159 VanDerWaalsContact CD2-O 3.24Å; K2155-N2159 WeakPolarHBondContact O-CA 3.27Å; K2155-N2159 WeakPolarHBondContact O-CB 3.36Å; K2155-N2159 PolarHBondContact O-N 2.81Å; K2155-N2159 PolarHBondContact O-ND2 2.74Å; K2155-N2159 PolarHBondContact O-OD1 2.68Å; N2159-L2161 PolarHBondContact O-N 2.75Å; N2159-N2162 CarbonylContact O-C 3.46Å; N2159-N2162 PolarHBondContact O-N 2.72Å; N2159-N2162 VanDerWaalsContact O-N 3.12Å; N2159-K2163 WeakPolarHBondContact O-CB 3.18Å; N2159-K2163 PolarHBondContact O-N 2.79Å |
| 2160 | K | 70 | Confident | 67.7 | Low | 52 Ų | 52 | 78.1 Ų | 78.1 | 23% | 0.226 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -51.3 | -50.1 | 167.1 | -80.7 | -177.1 | -103.7 | -173.9 | 0 | 112.7 | F1137 D1138 S2156 I2164 | F1137-K2160 PolarHBondContact O-NZ 3.25Å; D1138-K2160 WeakPolarHBondContact OD1-CE 3.14Å; D1138-K2160 IonicContact OD1-NZ 3.58Å; D1138-K2160 PolarHBondContact OD1-NZ 2.66Å; D1138-K2160 IonicContact OD2-NZ 2.77Å; S2156-K2160 WeakPolarHBondContact O-CB 3.48Å; S2156-K2160 WeakPolarHBondContact O-CG 3.13Å; S2156-K2160 PolarHBondContact O-N 3.46Å; S2156-K2160 WeakPolarHBondContact OG-CE 3.13Å; K2160-I2164 WeakPolarHBondContact O-CB 3.44Å; K2160-I2164 WeakPolarHBondContact O-CD1 3.27Å; K2160-I2164 WeakPolarHBondContact O-CG1 3.02Å; K2160-I2164 PolarHBondContact O-N 2.91Å |
| 2161 | L | 57.9 | Low | 68 | Low | 97 Ų | 97 | 80.4 Ų | 80.4 | 51% | 0.508 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 174 | -86.5 | 163.4 | 0 | 0 | 0 | 112.4 | A2157 N2159 K2163 I2164 Q2165 | A2157-L2161 WeakPolarHBondContact O-CB 3.43Å; A2157-L2161 PolarHBondContact O-N 3.17Å; N2159-L2161 PolarHBondContact O-N 2.75Å; L2161-K2163 VanDerWaalsContact C-N 3.33Å; L2161-K2163 PolarHBondContact O-N 2.64Å; L2161-I2164 CarbonylContact O-C 3.59Å; L2161-I2164 PolarHBondContact O-N 3.07Å; L2161-Q2165 WeakPolarHBondContact O-CA 3.14Å; L2161-Q2165 WeakPolarHBondContact O-CB 3.09Å; L2161-Q2165 PolarHBondContact O-N 3.03Å |
| 2162 | N | 72.3 | Confident | 67.7 | Low | 80 Ų | 80 | 80.7 Ų | 80.7 | 43% | 0.428 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.6 | -28.5 | -178.2 | -76.7 | -11.4 | 0 | 0 | 0 | 112.5 | V2158 N2159 Q2165 T2166 | V2158-N2162 VanDerWaalsContact O-CA 3.31Å; V2158-N2162 WeakPolarHBondContact O-CA 3.37Å; V2158-N2162 WeakPolarHBondContact O-CB 3.22Å; V2158-N2162 PolarHBondContact O-N 3.13Å; V2158-N2162 PolarHBondContact O-ND2 3.26Å; V2158-N2162 PolarHBondContact O-OD1 2.88Å; N2159-N2162 CarbonylContact O-C 3.46Å; N2159-N2162 PolarHBondContact O-N 2.72Å; N2159-N2162 VanDerWaalsContact O-N 3.12Å; N2162-Q2165 CarbonylContact O-C 3.57Å; N2162-Q2165 PolarHBondContact O-N 3.42Å; N2162-T2166 WeakPolarHBondContact O-CB 3.33Å; N2162-T2166 WeakPolarHBondContact O-CG2 3.18Å; N2162-T2166 PolarHBondContact O-N 3.06Å; N2162-T2166 PolarHBondContact O-OG1 3.38Å |
| 2163 | K | 74.3 | Confident | 67.6 | Low | 53 Ų | 53 | 82.2 Ų | 82.2 | 23% | 0.23 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -89.6 | -28.8 | 171.7 | -159.3 | -164.8 | 178.8 | 163.4 | 0 | 112.6 | H1140 D1141 N2159 L2161 Q2165 T2166 E2167 | H1140-K2163 HydrophobicContact CB-CD 4.43Å; H1140-K2163 VanDerWaalsContact CD2-CB 3.44Å; H1140-K2163 WeakPolarHBondContact CD2-CB 3.16Å; H1140-K2163 WeakPolarHBondContact ND1-CD 3.34Å; D1141-K2163 WeakPolarHBondContact OD1-CD 3.48Å; D1141-K2163 VanDerWaalsContact OD1-CE 3.3Å; D1141-K2163 WeakPolarHBondContact OD1-CE 3.11Å; D1141-K2163 IonicContact OD1-NZ 3.95Å; D1141-K2163 PolarHBondContact OD1-NZ 2.8Å; N2159-K2163 WeakPolarHBondContact O-CB 3.18Å; N2159-K2163 PolarHBondContact O-N 2.79Å; L2161-K2163 VanDerWaalsContact C-N 3.33Å; L2161-K2163 PolarHBondContact O-N 2.64Å; K2163-Q2165 PolarHBondContact O-N 3.4Å; K2163-T2166 WeakPolarHBondContact CA-OG1 3.35Å; K2163-T2166 PolarHBondContact O-N 3.01Å; K2163-E2167 WeakPolarHBondContact CD-OE1 3.45Å; K2163-E2167 WeakPolarHBondContact CE-OE1 3.42Å; K2163-E2167 HydrophobicContact CG-CG 4.2Å; K2163-E2167 WeakPolarHBondContact O-CA 3.17Å; K2163-E2167 WeakPolarHBondContact O-CB 3.48Å; K2163-E2167 WeakPolarHBondContact O-CG 3.08Å; K2163-E2167 PolarHBondContact O-N 2.98Å |
| 2164 | I | 65.6 | Low | 68.1 | Low | 98 Ų | 98 | 83.3 Ų | 83.3 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.5 | -28.1 | 160.1 | -71.3 | 166.2 | 0 | 0 | 0 | 109.5 | K2160 L2161 K2168 | K2160-I2164 WeakPolarHBondContact O-CB 3.44Å; K2160-I2164 WeakPolarHBondContact O-CD1 3.27Å; K2160-I2164 WeakPolarHBondContact O-CG1 3.02Å; K2160-I2164 PolarHBondContact O-N 2.91Å; L2161-I2164 CarbonylContact O-C 3.59Å; L2161-I2164 PolarHBondContact O-N 3.07Å; I2164-K2168 WeakPolarHBondContact O-CA 2.97Å; I2164-K2168 WeakPolarHBondContact O-CB 3.06Å; I2164-K2168 PolarHBondContact O-N 2.96Å |
| 2165 | Q | 62.9 | Low | 68.6 | Low | 113 Ų | 113 | 80.7 Ų | 80.7 | 53% | 0.528 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -92.2 | -21.1 | -179.2 | -167.5 | 159.6 | -50.6 | 0 | 0 | 113.5 | L2161 N2162 K2163 K2169 | L2161-Q2165 WeakPolarHBondContact O-CA 3.14Å; L2161-Q2165 WeakPolarHBondContact O-CB 3.09Å; L2161-Q2165 PolarHBondContact O-N 3.03Å; N2162-Q2165 CarbonylContact O-C 3.57Å; N2162-Q2165 PolarHBondContact O-N 3.42Å; K2163-Q2165 PolarHBondContact O-N 3.4Å; Q2165-K2169 WeakPolarHBondContact O-CA 3.16Å; Q2165-K2169 WeakPolarHBondContact O-CB 3.5Å; Q2165-K2169 PolarHBondContact O-N 3.49Å |
| 2166 | T | 74.3 | Confident | 68.3 | Low | 69 Ų | 69 | 77.8 Ų | 77.8 | 42% | 0.423 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -90.5 | -32.4 | 165.2 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | N2162 K2163 K2168 K2169 I2170 | N2162-T2166 WeakPolarHBondContact O-CB 3.33Å; N2162-T2166 WeakPolarHBondContact O-CG2 3.18Å; N2162-T2166 PolarHBondContact O-N 3.06Å; N2162-T2166 PolarHBondContact O-OG1 3.38Å; K2163-T2166 WeakPolarHBondContact CA-OG1 3.35Å; K2163-T2166 PolarHBondContact O-N 3.01Å; T2166-K2168 VanDerWaalsContact C-N 3.28Å; T2166-K2169 PolarHBondContact O-N 2.96Å; T2166-I2170 WeakPolarHBondContact O-CA 3.42Å; T2166-I2170 WeakPolarHBondContact O-CB 3.31Å; T2166-I2170 WeakPolarHBondContact O-CD1 3.27Å; T2166-I2170 WeakPolarHBondContact O-CG1 3.25Å; T2166-I2170 PolarHBondContact O-N 3.24Å |
| 2167 | E | 69.3 | Low | 68.3 | Low | 91 Ų | 91 | 77.8 Ų | 77.8 | 43% | 0.425 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 161.4 | -71.1 | 166.1 | -164.5 | 0 | 0 | 109.2 | K2163 L2171 | K2163-E2167 WeakPolarHBondContact CD-OE1 3.45Å; K2163-E2167 WeakPolarHBondContact CE-OE1 3.42Å; K2163-E2167 HydrophobicContact CG-CG 4.2Å; K2163-E2167 WeakPolarHBondContact O-CA 3.17Å; K2163-E2167 WeakPolarHBondContact O-CB 3.48Å; K2163-E2167 WeakPolarHBondContact O-CG 3.08Å; K2163-E2167 PolarHBondContact O-N 2.98Å; E2167-L2171 WeakPolarHBondContact O-CB 3.49Å; E2167-L2171 WeakPolarHBondContact O-CD1 3.26Å; E2167-L2171 WeakPolarHBondContact O-CG 3.37Å; E2167-L2171 PolarHBondContact O-N 3.23Å |
| 2168 | K | 70.6 | Confident | 68.9 | Low | 100 Ų | 100 | 75.9 Ų | 75.9 | 44% | 0.435 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.7 | -44 | 170.6 | 177.4 | -177 | 174.1 | -71 | 0 | 112.7 | I2164 T2166 L2171 E2172 | I2164-K2168 WeakPolarHBondContact O-CA 2.97Å; I2164-K2168 WeakPolarHBondContact O-CB 3.06Å; I2164-K2168 PolarHBondContact O-N 2.96Å; T2166-K2168 VanDerWaalsContact C-N 3.28Å; K2168-L2171 CarbonylContact O-C 3.4Å; K2168-L2171 PolarHBondContact O-N 3.34Å; K2168-E2172 WeakPolarHBondContact CE-OE1 3.42Å; K2168-E2172 HydrophobicContact CG-CG 4.29Å; K2168-E2172 WeakPolarHBondContact CG-OE2 3.35Å; K2168-E2172 IonicContact NZ-OE1 3.34Å; K2168-E2172 PolarHBondContact NZ-OE1 3.37Å; K2168-E2172 IonicContact NZ-OE2 3.42Å; K2168-E2172 PolarHBondContact NZ-OE2 3.34Å; K2168-E2172 VanDerWaalsContact O-CB 3.24Å; K2168-E2172 WeakPolarHBondContact O-CB 3.27Å; K2168-E2172 VanDerWaalsContact O-CG 3.26Å; K2168-E2172 WeakPolarHBondContact O-CG 3.15Å; K2168-E2172 PolarHBondContact O-N 2.98Å |
| 2169 | K | 68.9 | Low | 68.9 | Low | 116 Ų | 116 | 78.8 Ų | 78.8 | 50% | 0.504 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69.3 | -34 | 179.7 | -174.8 | 172.5 | -176.2 | -76.7 | 0 | 111.7 | Q2165 T2166 E2172 E2173 | Q2165-K2169 WeakPolarHBondContact O-CA 3.16Å; Q2165-K2169 WeakPolarHBondContact O-CB 3.5Å; Q2165-K2169 PolarHBondContact O-N 3.49Å; T2166-K2169 PolarHBondContact O-N 2.96Å; K2169-E2172 CarbonylContact O-C 3.32Å; K2169-E2172 PolarHBondContact O-N 3.37Å; K2169-E2173 HydrophobicContact CG-CG 4.45Å; K2169-E2173 IonicContact NZ-OE1 3.49Å; K2169-E2173 PolarHBondContact NZ-OE1 3.37Å; K2169-E2173 WeakPolarHBondContact O-CB 3.48Å; K2169-E2173 WeakPolarHBondContact O-CG 3.36Å; K2169-E2173 PolarHBondContact O-N 3.02Å |
| 2170 | I | 73.2 | Confident | 68.5 | Low | 87 Ų | 87 | 80 Ų | 80 | 45% | 0.446 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.3 | -43.5 | 169.5 | -68.2 | 162.6 | 0 | 0 | 0 | 109.5 | T2166 E2172 E2173 E2174 | T2166-I2170 WeakPolarHBondContact O-CA 3.42Å; T2166-I2170 WeakPolarHBondContact O-CB 3.31Å; T2166-I2170 WeakPolarHBondContact O-CD1 3.27Å; T2166-I2170 WeakPolarHBondContact O-CG1 3.25Å; T2166-I2170 PolarHBondContact O-N 3.24Å; I2170-E2172 PolarHBondContact O-N 2.89Å; I2170-E2173 PolarHBondContact O-N 2.95Å; I2170-E2174 HydrophobicContact CG2-CG 4.35Å; I2170-E2174 WeakPolarHBondContact O-CA 3.18Å; I2170-E2174 WeakPolarHBondContact O-CB 3.1Å; I2170-E2174 VanDerWaalsContact O-CG 3.24Å; I2170-E2174 WeakPolarHBondContact O-CG 3.35Å; I2170-E2174 PolarHBondContact O-N 3.18Å |
| 2171 | L | 65 | Low | 68.4 | Low | 108 Ų | 108 | 78 Ų | 78 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.4 | -26.4 | 173.1 | -76.6 | 167.1 | 0 | 0 | 0 | 112.3 | E2167 K2168 L2175 | E2167-L2171 WeakPolarHBondContact O-CB 3.49Å; E2167-L2171 WeakPolarHBondContact O-CD1 3.26Å; E2167-L2171 WeakPolarHBondContact O-CG 3.37Å; E2167-L2171 PolarHBondContact O-N 3.23Å; K2168-L2171 CarbonylContact O-C 3.4Å; K2168-L2171 PolarHBondContact O-N 3.34Å; L2171-L2175 WeakPolarHBondContact O-CB 3.37Å; L2171-L2175 PolarHBondContact O-N 3.49Å |
| 2172 | E | 60.6 | Low | 68.9 | Low | 78 Ų | 78 | 73.4 Ų | 73.4 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -84.4 | -34.1 | 174.9 | -77.3 | 173 | 152.6 | 0 | 0 | 112 | K2168 K2169 I2170 L2175 D2176 | K2168-E2172 WeakPolarHBondContact CE-OE1 3.42Å; K2168-E2172 HydrophobicContact CG-CG 4.29Å; K2168-E2172 WeakPolarHBondContact CG-OE2 3.35Å; K2168-E2172 IonicContact NZ-OE1 3.34Å; K2168-E2172 PolarHBondContact NZ-OE1 3.37Å; K2168-E2172 IonicContact NZ-OE2 3.42Å; K2168-E2172 PolarHBondContact NZ-OE2 3.34Å; K2168-E2172 VanDerWaalsContact O-CB 3.24Å; K2168-E2172 WeakPolarHBondContact O-CB 3.27Å; K2168-E2172 VanDerWaalsContact O-CG 3.26Å; K2168-E2172 WeakPolarHBondContact O-CG 3.15Å; K2168-E2172 PolarHBondContact O-N 2.98Å; K2169-E2172 CarbonylContact O-C 3.32Å; K2169-E2172 PolarHBondContact O-N 3.37Å; I2170-E2172 PolarHBondContact O-N 2.89Å; E2172-L2175 CarbonylContact O-C 3.52Å; E2172-L2175 WeakPolarHBondContact O-CB 3.22Å; E2172-L2175 PolarHBondContact O-N 2.92Å; E2172-D2176 VanDerWaalsContact O-CB 3.22Å; E2172-D2176 WeakPolarHBondContact O-CB 3.39Å; E2172-D2176 VanDerWaalsContact O-CG 3.31Å; E2172-D2176 PolarHBondContact O-N 2.91Å |
| 2173 | E | 68.7 | Low | 68.6 | Low | 90 Ų | 90 | 73.2 Ų | 73.2 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -74 | -31.5 | 170.4 | -77.4 | 166.4 | -179.1 | 0 | 0 | 111.6 | K2169 I2170 S2177 | K2169-E2173 HydrophobicContact CG-CG 4.45Å; K2169-E2173 IonicContact NZ-OE1 3.49Å; K2169-E2173 PolarHBondContact NZ-OE1 3.37Å; K2169-E2173 WeakPolarHBondContact O-CB 3.48Å; K2169-E2173 WeakPolarHBondContact O-CG 3.36Å; K2169-E2173 PolarHBondContact O-N 3.02Å; I2170-E2173 PolarHBondContact O-N 2.95Å; E2173-S2177 WeakPolarHBondContact O-CA 3.29Å; E2173-S2177 WeakPolarHBondContact O-CB 3.06Å; E2173-S2177 PolarHBondContact O-N 3.11Å; E2173-S2177 PolarHBondContact O-OG 3.36Å |
| 2174 | E | 72.8 | Confident | 68.2 | Low | 85 Ų | 85 | 74.6 Ų | 74.6 | 40% | 0.397 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67 | -46.6 | 162.9 | -77.1 | -175.6 | 171.8 | 0 | 0 | 109.2 | I2170 D2176 S2177 L2178 | I2170-E2174 HydrophobicContact CG2-CG 4.35Å; I2170-E2174 WeakPolarHBondContact O-CA 3.18Å; I2170-E2174 WeakPolarHBondContact O-CB 3.1Å; I2170-E2174 VanDerWaalsContact O-CG 3.24Å; I2170-E2174 WeakPolarHBondContact O-CG 3.35Å; I2170-E2174 PolarHBondContact O-N 3.18Å; E2174-D2176 VanDerWaalsContact C-N 3.27Å; E2174-D2176 PolarHBondContact O-N 3.38Å; E2174-S2177 PolarHBondContact O-N 2.77Å; E2174-L2178 HydrophobicContact CB-CD1 4.41Å; E2174-L2178 VanDerWaalsContact O-CB 3.24Å; E2174-L2178 WeakPolarHBondContact O-CB 3.29Å; E2174-L2178 WeakPolarHBondContact O-CD1 2.46Å; E2174-L2178 PolarHBondContact O-N 3.14Å |
| 2175 | L | 69.1 | Low | 68.4 | Low | 53 Ų | 53 | 71.3 Ų | 71.3 | 28% | 0.277 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 176.1 | -161.7 | 78.5 | 0 | 0 | 0 | 111.6 | H1474 L2171 E2172 L2178 R2179 | H1474-L2175 VanDerWaalsContact CE1-CD1 3.49Å; H1474-L2175 WeakPolarHBondContact CE1-CD1 2.96Å; H1474-L2175 WeakPolarHBondContact NE2-CD1 3.18Å; L2171-L2175 WeakPolarHBondContact O-CB 3.37Å; L2171-L2175 PolarHBondContact O-N 3.49Å; E2172-L2175 CarbonylContact O-C 3.52Å; E2172-L2175 WeakPolarHBondContact O-CB 3.22Å; E2172-L2175 PolarHBondContact O-N 2.92Å; L2175-L2178 CarbonylContact O-C 3.09Å; L2175-L2178 PolarHBondContact O-N 2.76Å; L2175-R2179 WeakPolarHBondContact O-CB 3.2Å; L2175-R2179 WeakPolarHBondContact O-CD 2.92Å; L2175-R2179 WeakPolarHBondContact O-CG 3.29Å; L2175-R2179 PolarHBondContact O-N 2.77Å |
| 2176 | D | 66 | Low | 68.3 | Low | 73 Ų | 73 | 67.2 Ų | 67.2 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -81.9 | -31 | -178.7 | -75.2 | -28.2 | 0 | 0 | 0 | 112.1 | E2172 E2174 L2178 R2179 M2180 | E2172-D2176 VanDerWaalsContact O-CB 3.22Å; E2172-D2176 WeakPolarHBondContact O-CB 3.39Å; E2172-D2176 VanDerWaalsContact O-CG 3.31Å; E2172-D2176 PolarHBondContact O-N 2.91Å; E2174-D2176 VanDerWaalsContact C-N 3.27Å; E2174-D2176 PolarHBondContact O-N 3.38Å; D2176-L2178 VanDerWaalsContact C-N 3.31Å; D2176-R2179 PolarHBondContact O-N 3.5Å; D2176-R2179 WeakPolarHBondContact OD1-CD 3.45Å; D2176-R2179 IonicContact OD1-CZ 3.79Å; D2176-R2179 IonicContact OD1-NE 2.65Å; D2176-R2179 IonicContact OD1-NH1 2.64Å; D2176-R2179 PolarHBondContact OD1-NH1 2.97Å; D2176-R2179 IonicContact OD2-NH1 2.69Å; D2176-M2180 VanDerWaalsContact O-CB 3.25Å; D2176-M2180 WeakPolarHBondContact O-CB 3.29Å; D2176-M2180 VanDerWaalsContact O-CG 3.26Å; D2176-M2180 WeakPolarHBondContact O-CG 3.32Å; D2176-M2180 PolarHBondContact O-N 2.96Å |
| 2177 | S | 71.2 | Confident | 68.1 | Low | 22 Ų | 22 | 69.6 Ų | 69.6 | 15% | 0.154 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 162.7 | -68 | 0 | 0 | 0 | 0 | 111 | H1492 E2173 E2174 S2181 | H1492-S2177 PolarHBondContact CD2-OG 2.57Å; H1492-S2177 PolarHBondContact NE2-OG 2.57Å; E2173-S2177 WeakPolarHBondContact O-CA 3.29Å; E2173-S2177 WeakPolarHBondContact O-CB 3.06Å; E2173-S2177 PolarHBondContact O-N 3.11Å; E2173-S2177 PolarHBondContact O-OG 3.36Å; E2174-S2177 PolarHBondContact O-N 2.77Å; S2177-S2181 WeakPolarHBondContact O-CB 2.87Å; S2177-S2181 PolarHBondContact O-N 3.05Å |
| 2178 | L | 69.7 | Low | 68 | Low | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.4 | -37.3 | 174.8 | -92 | 97.3 | 0 | 0 | 0 | 111.5 | Y1102 S1244 E2174 L2175 D2176 K2182 | Y1102-L2178 WeakPolarHBondContact OH-CD2 3.14Å; S1244-L2178 VanDerWaalsContact CB-O 3.24Å; S1244-L2178 WeakPolarHBondContact CB-O 3.33Å; S1244-L2178 WeakPolarHBondContact O-CD2 3.49Å; S1244-L2178 WeakPolarHBondContact O-CG 3.25Å; S1244-L2178 WeakPolarHBondContact OG-CG 3.32Å; S1244-L2178 PolarHBondContact OG-O 3.22Å; S1244-L2178 VanDerWaalsContact OG-O 3.06Å; E2174-L2178 HydrophobicContact CB-CD1 4.41Å; E2174-L2178 VanDerWaalsContact O-CB 3.24Å; E2174-L2178 WeakPolarHBondContact O-CB 3.29Å; E2174-L2178 WeakPolarHBondContact O-CD1 2.46Å; E2174-L2178 PolarHBondContact O-N 3.14Å; L2175-L2178 CarbonylContact O-C 3.09Å; L2175-L2178 PolarHBondContact O-N 2.76Å; D2176-L2178 VanDerWaalsContact C-N 3.31Å; L2178-K2182 WeakPolarHBondContact O-CB 3.43Å; L2178-K2182 PolarHBondContact O-N 2.88Å |
| 2179 | R | 68.7 | Low | 67.8 | Low | 112 Ų | 112 | 65.7 Ų | 65.7 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.6 | -59.2 | 171.8 | -72.7 | 151.7 | 167.5 | -171.6 | -1.2 | 110.4 | L2175 D2176 S2181 K2182 D2183 | L2175-R2179 WeakPolarHBondContact O-CB 3.2Å; L2175-R2179 WeakPolarHBondContact O-CD 2.92Å; L2175-R2179 WeakPolarHBondContact O-CG 3.29Å; L2175-R2179 PolarHBondContact O-N 2.77Å; D2176-R2179 PolarHBondContact O-N 3.5Å; D2176-R2179 WeakPolarHBondContact OD1-CD 3.45Å; D2176-R2179 IonicContact OD1-CZ 3.79Å; D2176-R2179 IonicContact OD1-NE 2.65Å; D2176-R2179 IonicContact OD1-NH1 2.64Å; D2176-R2179 PolarHBondContact OD1-NH1 2.97Å; D2176-R2179 IonicContact OD2-NH1 2.69Å; R2179-S2181 VanDerWaalsContact C-N 3.3Å; R2179-S2181 PolarHBondContact O-N 2.91Å; R2179-K2182 CarbonylContact O-C 3.55Å; R2179-K2182 WeakPolarHBondContact O-CA 3.27Å; R2179-K2182 WeakPolarHBondContact O-CB 3.4Å; R2179-K2182 PolarHBondContact O-N 3.15Å; R2179-D2183 WeakPolarHBondContact O-CB 3.19Å; R2179-D2183 PolarHBondContact O-N 3.07Å; R2179-D2183 VanDerWaalsContact O-OD2 3.13Å |
| 2180 | M | 67 | Low | 67.5 | Low | 100 Ų | 100 | 63.3 Ų | 63.3 | 49% | 0.493 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -53.7 | -42.4 | 179 | -74.4 | -61.1 | -58.7 | 0 | 0 | 113 | D2176 D2183 N2184 | D2176-M2180 VanDerWaalsContact O-CB 3.25Å; D2176-M2180 WeakPolarHBondContact O-CB 3.29Å; D2176-M2180 VanDerWaalsContact O-CG 3.26Å; D2176-M2180 WeakPolarHBondContact O-CG 3.32Å; D2176-M2180 PolarHBondContact O-N 2.96Å; M2180-D2183 PolarHBondContact O-N 2.92Å; M2180-N2184 WeakPolarHBondContact O-CB 3.27Å; M2180-N2184 PolarHBondContact O-N 3.04Å; M2180-N2184 PolarHBondContact O-ND2 3.17Å |
| 2181 | S | 68.8 | Low | 67.2 | Low | 9 Ų | 9 | 63.9 Ų | 63.9 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.4 | -38.9 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 112.5 | S1244 N1245 S2177 R2179 D2183 N2184 E2185 | S1244-S2181 VanDerWaalsContact CA-OG 3.28Å; S1244-S2181 WeakPolarHBondContact CA-OG 3.36Å; S1244-S2181 VanDerWaalsContact CB-CB 3.4Å; S1244-S2181 VanDerWaalsContact CB-OG 3.23Å; S1244-S2181 WeakPolarHBondContact CB-OG 3.41Å; N1245-S2181 VanDerWaalsContact ND2-CB 3.32Å; N1245-S2181 WeakPolarHBondContact ND2-CB 3.42Å; N1245-S2181 PolarHBondContact ND2-OG 3.26Å; N1245-S2181 PolarHBondContact OD1-OG 3.43Å; S2177-S2181 WeakPolarHBondContact O-CB 2.87Å; S2177-S2181 PolarHBondContact O-N 3.05Å; R2179-S2181 VanDerWaalsContact C-N 3.3Å; R2179-S2181 PolarHBondContact O-N 2.91Å; S2181-D2183 VanDerWaalsContact C-N 3.27Å; S2181-D2183 PolarHBondContact O-N 2.98Å; S2181-N2184 PolarHBondContact O-N 2.82Å; S2181-E2185 PolarHBondContact O-N 3.2Å |
| 2182 | K | 68.3 | Low | 67.4 | Low | 1 Ų | 1 | 62.3 Ų | 62.3 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 170.9 | 179.4 | 173.2 | -168.6 | -173.3 | 0 | 112.1 | P1243 C1473 L2178 R2179 E2185 L2186 | P1243-K2182 HydrophobicContact CB-CB 3.71Å; P1243-K2182 HydrophobicContact CB-CG 3.84Å; P1243-K2182 HydrophobicContact CG-CB 3.51Å; P1243-K2182 HydrophobicContact CG-CD 3.62Å; P1243-K2182 HydrophobicContact CG-CG 3.46Å; P1243-K2182 VanDerWaalsContact CG-CG 3.46Å; C1473-K2182 HydrophobicContact CB-CD 3.81Å; C1473-K2182 WeakPolarHBondContact O-CD 3.42Å; C1473-K2182 PolarHBondContact O-NZ 2.98Å; C1473-K2182 PolarHBondContact SG-NZ 3.41Å; L2178-K2182 WeakPolarHBondContact O-CB 3.43Å; L2178-K2182 PolarHBondContact O-N 2.88Å; R2179-K2182 CarbonylContact O-C 3.55Å; R2179-K2182 WeakPolarHBondContact O-CA 3.27Å; R2179-K2182 WeakPolarHBondContact O-CB 3.4Å; R2179-K2182 PolarHBondContact O-N 3.15Å; K2182-E2185 CarbonylContact O-C 3.51Å; K2182-E2185 PolarHBondContact O-N 3.5Å; K2182-L2186 HydrophobicContact CG-CD1 4.16Å; K2182-L2186 VanDerWaalsContact O-CB 3.32Å; K2182-L2186 WeakPolarHBondContact O-CB 3.13Å; K2182-L2186 PolarHBondContact O-N 3.43Å |
| 2183 | D | 64.8 | Low | 67.6 | Low | 75 Ų | 75 | 59.9 Ų | 59.9 | 40% | 0.401 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.9 | -33.8 | -177.7 | -65.5 | -29.3 | 0 | 0 | 0 | 110.2 | R2179 M2180 S2181 L2186 H2187 | R2179-D2183 WeakPolarHBondContact O-CB 3.19Å; R2179-D2183 PolarHBondContact O-N 3.07Å; R2179-D2183 VanDerWaalsContact O-OD2 3.13Å; M2180-D2183 PolarHBondContact O-N 2.92Å; S2181-D2183 VanDerWaalsContact C-N 3.27Å; S2181-D2183 PolarHBondContact O-N 2.98Å; D2183-L2186 VanDerWaalsContact O-CB 3.29Å; D2183-L2186 WeakPolarHBondContact O-CB 3.49Å; D2183-L2186 PolarHBondContact O-N 3.31Å; D2183-L2186 WeakPolarHBondContact OD1-CD1 2.94Å; D2183-H2187 VanDerWaalsContact O-CB 3.31Å; D2183-H2187 WeakPolarHBondContact O-CB 3.4Å; D2183-H2187 PolarHBondContact O-N 2.81Å |
| 2184 | N | 67.6 | Low | 67.9 | Low | 82 Ų | 82 | 63.4 Ų | 63.4 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.4 | -41.2 | 165 | -71.9 | -41 | 0 | 0 | 0 | 112.5 | M2180 S2181 H2187 Y2188 | M2180-N2184 WeakPolarHBondContact O-CB 3.27Å; M2180-N2184 PolarHBondContact O-N 3.04Å; M2180-N2184 PolarHBondContact O-ND2 3.17Å; S2181-N2184 PolarHBondContact O-N 2.82Å; N2184-H2187 PolarHBondContact O-N 2.91Å; N2184-Y2188 WeakPolarHBondContact O-CB 3.4Å; N2184-Y2188 PolarHBondContact O-N 3.44Å |
| 2185 | E | 68.2 | Low | 67.7 | Low | 30 Ų | 30 | 62.9 Ų | 62.9 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.4 | -34.7 | 174.7 | -161.7 | -173.4 | -126.3 | 0 | 0 | 111.6 | H1242 P1243 H1480 S2181 K2182 L2189 | H1242-E2185 WeakPolarHBondContact CB-OE1 3.42Å; H1242-E2185 WeakPolarHBondContact CB-OE2 3.32Å; H1242-E2185 IonicContact CE1-OE1 3.41Å; H1242-E2185 IonicContact CG-OE1 2.7Å; H1242-E2185 IonicContact ND1-OE1 2.73Å; H1242-E2185 VanDerWaalsContact O-OE2 3.11Å; P1243-E2185 VanDerWaalsContact CA-OE2 3.24Å; P1243-E2185 WeakPolarHBondContact CA-OE2 3.2Å; P1243-E2185 HydrophobicContact CB-CB 4.34Å; P1243-E2185 VanDerWaalsContact CB-OE2 3.24Å; P1243-E2185 WeakPolarHBondContact CB-OE2 3.3Å; H1480-E2185 IonicContact CE1-OE1 3.04Å; H1480-E2185 PolarHBondContact CE1-OE1 2.73Å; S2181-E2185 PolarHBondContact O-N 3.2Å; K2182-E2185 CarbonylContact O-C 3.51Å; K2182-E2185 PolarHBondContact O-N 3.5Å; E2185-L2189 HydrophobicContact CG-CD1 4.3Å; E2185-L2189 VanDerWaalsContact O-CB 3.26Å; E2185-L2189 WeakPolarHBondContact O-CB 3.49Å; E2185-L2189 WeakPolarHBondContact O-CD1 3.47Å; E2185-L2189 WeakPolarHBondContact O-CG 3.4Å; E2185-L2189 PolarHBondContact O-N 3.28Å |
| 2186 | L | 61.9 | Low | 67.3 | Low | 26 Ų | 26 | 63.6 Ų | 63.6 | 14% | 0.136 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.8 | -51.2 | 168.3 | -108.6 | 147.1 | 0 | 0 | 0 | 110 | K2182 D2183 L2189 D2190 L2342 Q2346 | K2182-L2186 HydrophobicContact CG-CD1 4.16Å; K2182-L2186 VanDerWaalsContact O-CB 3.32Å; K2182-L2186 WeakPolarHBondContact O-CB 3.13Å; K2182-L2186 PolarHBondContact O-N 3.43Å; D2183-L2186 VanDerWaalsContact O-CB 3.29Å; D2183-L2186 WeakPolarHBondContact O-CB 3.49Å; D2183-L2186 PolarHBondContact O-N 3.31Å; D2183-L2186 WeakPolarHBondContact OD1-CD1 2.94Å; L2186-L2189 PolarHBondContact O-N 2.99Å; L2186-D2190 WeakPolarHBondContact O-CB 3.31Å; L2186-D2190 PolarHBondContact O-N 3.36Å; L2186-L2342 HydrophobicContact CD2-CD2 4.03Å; L2186-Q2346 VanDerWaalsContact CG-NE2 3.32Å |
| 2187 | H | 69.8 | Low | 67.2 | Low | 120 Ų | 120 | 66.6 Ų | 66.6 | 56% | 0.556 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.4 | -45.4 | 179.9 | -165.9 | 66.4 | 0 | 0 | 0 | 111.4 | D2183 N2184 L2189 D2190 E2191 | D2183-H2187 VanDerWaalsContact O-CB 3.31Å; D2183-H2187 WeakPolarHBondContact O-CB 3.4Å; D2183-H2187 PolarHBondContact O-N 2.81Å; N2184-H2187 PolarHBondContact O-N 2.91Å; H2187-L2189 PolarHBondContact O-N 2.7Å; H2187-D2190 PolarHBondContact O-N 3.01Å; H2187-E2191 WeakPolarHBondContact O-CB 3.2Å; H2187-E2191 PolarHBondContact O-N 3.5Å |
| 2188 | Y | 67.7 | Low | 67.2 | Low | 107 Ų | 107 | 70 Ų | 70 | 42% | 0.42 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.7 | -33.8 | 175.4 | 176.9 | -111.5 | 0 | 0 | 0 | 113.3 | N2184 R2192 | N2184-Y2188 WeakPolarHBondContact O-CB 3.4Å; N2184-Y2188 PolarHBondContact O-N 3.44Å; Y2188-R2192 HydrophobicContact CE2-CG 4.32Å; Y2188-R2192 WeakPolarHBondContact O-CB 3.19Å; Y2188-R2192 WeakPolarHBondContact O-CG 3.24Å; Y2188-R2192 PolarHBondContact O-N 3.03Å |
| 2189 | L | 64.8 | Low | 67 | Low | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -72.4 | -36.8 | 172.9 | -74.7 | 167.8 | 0 | 0 | 0 | 112.5 | E2185 L2186 H2187 R2192 L2193 Q2346 L2350 | E2185-L2189 HydrophobicContact CG-CD1 4.3Å; E2185-L2189 VanDerWaalsContact O-CB 3.26Å; E2185-L2189 WeakPolarHBondContact O-CB 3.49Å; E2185-L2189 WeakPolarHBondContact O-CD1 3.47Å; E2185-L2189 WeakPolarHBondContact O-CG 3.4Å; E2185-L2189 PolarHBondContact O-N 3.28Å; L2186-L2189 PolarHBondContact O-N 2.99Å; H2187-L2189 PolarHBondContact O-N 2.7Å; L2189-R2192 CarbonylContact O-C 3.54Å; L2189-R2192 PolarHBondContact O-N 3.5Å; L2189-L2193 WeakPolarHBondContact O-CB 3.37Å; L2189-L2193 WeakPolarHBondContact O-CG 3.43Å; L2189-L2193 PolarHBondContact O-N 3.47Å; L2189-Q2346 HydrophobicContact CD1-CG 4.27Å; L2189-L2350 HydrophobicContact CD1-CD2 3.46Å; L2189-L2350 VanDerWaalsContact CD1-CD2 3.46Å; L2189-L2350 HydrophobicContact CD2-CB 4.02Å; L2189-L2350 HydrophobicContact CD2-CD2 3.81Å; L2189-L2350 HydrophobicContact CD2-CG 4.41Å; L2189-L2350 HydrophobicContact CG-CD2 4.12Å |
| 2190 | D | 63.2 | Low | 66.7 | Low | 66 Ų | 66 | 75.2 Ų | 75.2 | 35% | 0.353 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -71.4 | -34.9 | 174.6 | -92.1 | 8.4 | 0 | 0 | 0 | 111.4 | L2186 H2187 L2193 R2194 | L2186-D2190 WeakPolarHBondContact O-CB 3.31Å; L2186-D2190 PolarHBondContact O-N 3.36Å; H2187-D2190 PolarHBondContact O-N 3.01Å; D2190-L2193 CarbonylContact O-C 3.3Å; D2190-L2193 WeakPolarHBondContact O-CB 3.16Å; D2190-L2193 PolarHBondContact O-N 3.49Å; D2190-R2194 WeakPolarHBondContact O-CB 3.3Å; D2190-R2194 WeakPolarHBondContact O-CG 3.41Å; D2190-R2194 PolarHBondContact O-N 3.31Å |
| 2191 | E | 67.7 | Low | 66.7 | Low | 98 Ų | 98 | 71.3 Ų | 71.3 | 46% | 0.458 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.6 | -40.2 | 170.6 | -172.2 | 162 | -135 | 0 | 0 | 111.1 | H2187 L2193 R2194 N2195 | H2187-E2191 WeakPolarHBondContact O-CB 3.2Å; H2187-E2191 PolarHBondContact O-N 3.5Å; E2191-L2193 VanDerWaalsContact C-N 3.31Å; E2191-L2193 PolarHBondContact O-N 2.98Å; E2191-R2194 PolarHBondContact O-N 2.79Å; E2191-N2195 WeakPolarHBondContact O-CB 3.34Å; E2191-N2195 PolarHBondContact O-N 2.86Å; E2191-N2195 PolarHBondContact O-ND2 3.21Å; E2191-N2195 PolarHBondContact O-OD1 2.93Å |
| 2192 | R | 69.1 | Low | 67 | Low | 76 Ų | 76 | 73.3 Ų | 73.3 | 29% | 0.287 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.7 | -32.1 | 168.3 | -78.5 | -175.1 | 65.2 | 154.5 | 5 | 112.9 | Y2188 L2189 T2196 | Y2188-R2192 HydrophobicContact CE2-CG 4.32Å; Y2188-R2192 WeakPolarHBondContact O-CB 3.19Å; Y2188-R2192 WeakPolarHBondContact O-CG 3.24Å; Y2188-R2192 PolarHBondContact O-N 3.03Å; L2189-R2192 CarbonylContact O-C 3.54Å; L2189-R2192 PolarHBondContact O-N 3.5Å; R2192-T2196 WeakPolarHBondContact O-CB 3.34Å; R2192-T2196 WeakPolarHBondContact O-CG2 3.06Å; R2192-T2196 PolarHBondContact O-N 3.42Å; R2192-T2196 PolarHBondContact O-OG1 2.81Å |
| 2193 | L | 63.7 | Low | 66.7 | Low | 26 Ų | 26 | 76.6 Ų | 76.6 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.6 | -41.4 | 172.5 | -91.9 | 165.2 | 0 | 0 | 0 | 111.2 | L2189 D2190 E2191 T2196 R2197 | L2189-L2193 WeakPolarHBondContact O-CB 3.37Å; L2189-L2193 WeakPolarHBondContact O-CG 3.43Å; L2189-L2193 PolarHBondContact O-N 3.47Å; D2190-L2193 CarbonylContact O-C 3.3Å; D2190-L2193 WeakPolarHBondContact O-CB 3.16Å; D2190-L2193 PolarHBondContact O-N 3.49Å; E2191-L2193 VanDerWaalsContact C-N 3.31Å; E2191-L2193 PolarHBondContact O-N 2.98Å; L2193-T2196 PolarHBondContact O-OG1 2.82Å; L2193-R2197 WeakPolarHBondContact O-CB 3.27Å; L2193-R2197 WeakPolarHBondContact O-CG 3.24Å; L2193-R2197 PolarHBondContact O-N 3.28Å |
| 2194 | R | 75.5 | Confident | 66.8 | Low | 165 Ų | 165 | 73.8 Ų | 73.8 | 62% | 0.623 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.9 | -49.9 | 171.4 | -76.7 | 173 | 176.4 | -177.8 | -1.8 | 110.4 | D2190 E2191 T2196 R2197 Q2198 | D2190-R2194 WeakPolarHBondContact O-CB 3.3Å; D2190-R2194 WeakPolarHBondContact O-CG 3.41Å; D2190-R2194 PolarHBondContact O-N 3.31Å; E2191-R2194 PolarHBondContact O-N 2.79Å; R2194-T2196 PolarHBondContact O-N 2.97Å; R2194-R2197 CarbonylContact O-C 3.59Å; R2194-R2197 PolarHBondContact O-N 3.23Å; R2194-Q2198 VanDerWaalsContact O-CB 3.29Å; R2194-Q2198 WeakPolarHBondContact O-CB 3.42Å; R2194-Q2198 WeakPolarHBondContact O-CG 3.15Å; R2194-Q2198 PolarHBondContact O-N 2.92Å |
| 2195 | N | 69.4 | Low | 66.9 | Low | 74 Ų | 74 | 70 Ų | 70 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.5 | -33.3 | -178.1 | -63 | -9.6 | 0 | 0 | 0 | 112.6 | E2191 H2199 | E2191-N2195 WeakPolarHBondContact O-CB 3.34Å; E2191-N2195 PolarHBondContact O-N 2.86Å; E2191-N2195 PolarHBondContact O-ND2 3.21Å; E2191-N2195 PolarHBondContact O-OD1 2.93Å; N2195-H2199 WeakPolarHBondContact O-CB 3.13Å; N2195-H2199 PolarHBondContact O-N 2.87Å |
| 2196 | T | 60.6 | Low | 66.7 | Low | 67 Ų | 67 | 73.1 Ų | 73.1 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -80 | -28.7 | 173.8 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | R2192 L2193 R2194 L2200 | R2192-T2196 WeakPolarHBondContact O-CB 3.34Å; R2192-T2196 WeakPolarHBondContact O-CG2 3.06Å; R2192-T2196 PolarHBondContact O-N 3.42Å; R2192-T2196 PolarHBondContact O-OG1 2.81Å; L2193-T2196 PolarHBondContact O-OG1 2.82Å; R2194-T2196 PolarHBondContact O-N 2.97Å; T2196-L2200 PolarHBondContact O-N 2.94Å |
| 2197 | R | 63.3 | Low | 67 | Low | 136 Ų | 136 | 73.9 Ų | 73.9 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.1 | -49.7 | 165.8 | -78.2 | 169.3 | 167.6 | 161.6 | -8.2 | 110.6 | L2193 R2194 H2199 L2200 E2201 | L2193-R2197 WeakPolarHBondContact O-CB 3.27Å; L2193-R2197 WeakPolarHBondContact O-CG 3.24Å; L2193-R2197 PolarHBondContact O-N 3.28Å; R2194-R2197 CarbonylContact O-C 3.59Å; R2194-R2197 PolarHBondContact O-N 3.23Å; R2197-H2199 PolarHBondContact O-N 2.74Å; R2197-L2200 CarbonylContact O-C 3.32Å; R2197-L2200 WeakPolarHBondContact O-CA 3.2Å; R2197-L2200 WeakPolarHBondContact O-CB 3.36Å; R2197-L2200 PolarHBondContact O-N 3.16Å; R2197-E2201 WeakPolarHBondContact O-CB 3.45Å; R2197-E2201 VanDerWaalsContact O-CG 3.23Å; R2197-E2201 WeakPolarHBondContact O-CG 3.15Å; R2197-E2201 PolarHBondContact O-N 2.7Å |
| 2198 | Q | 72 | Confident | 67 | Low | 94 Ų | 94 | 68.4 Ų | 68.4 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.1 | -33.4 | 172.8 | -77.8 | -179.8 | -26 | 0 | 0 | 112.8 | R2194 E2201 S2202 | R2194-Q2198 VanDerWaalsContact O-CB 3.29Å; R2194-Q2198 WeakPolarHBondContact O-CB 3.42Å; R2194-Q2198 WeakPolarHBondContact O-CG 3.15Å; R2194-Q2198 PolarHBondContact O-N 2.92Å; Q2198-E2201 WeakPolarHBondContact CA-OE2 3.17Å; Q2198-S2202 WeakPolarHBondContact O-CB 3.45Å; Q2198-S2202 PolarHBondContact O-N 3.13Å |
| 2199 | H | 65.7 | Low | 67.1 | Low | 130 Ų | 130 | 65 Ų | 65 | 60% | 0.602 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -75.3 | -37.5 | 172.1 | -98.3 | -50.1 | 0 | 0 | 0 | 113.7 | N2195 R2197 S2202 V2203 | N2195-H2199 WeakPolarHBondContact O-CB 3.13Å; N2195-H2199 PolarHBondContact O-N 2.87Å; R2197-H2199 PolarHBondContact O-N 2.74Å; H2199-S2202 PolarHBondContact O-N 2.61Å; H2199-V2203 WeakPolarHBondContact O-CB 3.16Å; H2199-V2203 WeakPolarHBondContact O-CG2 3.05Å; H2199-V2203 PolarHBondContact O-N 2.94Å |
| 2200 | L | 61.1 | Low | 67.5 | Low | 95 Ų | 95 | 70.1 Ų | 70.1 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.4 | -59.6 | 167.5 | -85.8 | 159.9 | 0 | 0 | 0 | 108.7 | T2196 R2197 S2202 V2203 E2204 | T2196-L2200 PolarHBondContact O-N 2.94Å; R2197-L2200 CarbonylContact O-C 3.32Å; R2197-L2200 WeakPolarHBondContact O-CA 3.2Å; R2197-L2200 WeakPolarHBondContact O-CB 3.36Å; R2197-L2200 PolarHBondContact O-N 3.16Å; L2200-S2202 VanDerWaalsContact C-N 3.3Å; L2200-S2202 PolarHBondContact O-N 2.81Å; L2200-S2202 VanDerWaalsContact O-N 3.17Å; L2200-V2203 PolarHBondContact O-N 3.31Å; L2200-E2204 WeakPolarHBondContact CB-OE2 3.45Å; L2200-E2204 WeakPolarHBondContact CD2-OE2 3.38Å; L2200-E2204 WeakPolarHBondContact O-CA 3.25Å; L2200-E2204 WeakPolarHBondContact O-CB 3.36Å; L2200-E2204 WeakPolarHBondContact O-CG 3.28Å; L2200-E2204 PolarHBondContact O-N 2.79Å |
| 2201 | E | 67.3 | Low | 67.7 | Low | 18 Ų | 18 | 68 Ų | 68 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -42.5 | -45.2 | 170.6 | -74.5 | 179.3 | 149.7 | 0 | 0 | 114.6 | R1974 T1977 E1978 N1981 R2197 Q2198 S2205 | R1974-E2201 WeakPolarHBondContact CA-OE1 3.12Å; R1974-E2201 WeakPolarHBondContact CB-OE1 3.33Å; R1974-E2201 WeakPolarHBondContact CG-OE1 2.84Å; T1977-E2201 HydrophobicContact CG2-CB 4.1Å; T1977-E2201 VanDerWaalsContact OG1-CG 3.29Å; T1977-E2201 WeakPolarHBondContact OG1-CG 3.43Å; T1977-E2201 PolarHBondContact OG1-OE1 2.96Å; E1978-E2201 HydrophobicContact CG-CG 3.99Å; N1981-E2201 PolarHBondContact ND2-N 3.47Å; N1981-E2201 VanDerWaalsContact OD1-CA 3.26Å; N1981-E2201 WeakPolarHBondContact OD1-CA 3.25Å; R2197-E2201 WeakPolarHBondContact O-CB 3.45Å; R2197-E2201 VanDerWaalsContact O-CG 3.23Å; R2197-E2201 WeakPolarHBondContact O-CG 3.15Å; R2197-E2201 PolarHBondContact O-N 2.7Å; Q2198-E2201 WeakPolarHBondContact CA-OE2 3.17Å; E2201-S2205 WeakPolarHBondContact O-CA 3.2Å; E2201-S2205 WeakPolarHBondContact O-CB 3.29Å; E2201-S2205 PolarHBondContact O-N 2.8Å |
| 2202 | S | 75.2 | Confident | 68.1 | Low | 51 Ų | 51 | 67.2 Ų | 67.2 | 36% | 0.357 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -75.7 | -48.8 | 177.7 | 171.1 | 0 | 0 | 0 | 0 | 113.1 | Q2198 H2199 L2200 E2204 S2205 E2206 | Q2198-S2202 WeakPolarHBondContact O-CB 3.45Å; Q2198-S2202 PolarHBondContact O-N 3.13Å; H2199-S2202 PolarHBondContact O-N 2.61Å; L2200-S2202 VanDerWaalsContact C-N 3.3Å; L2200-S2202 PolarHBondContact O-N 2.81Å; L2200-S2202 VanDerWaalsContact O-N 3.17Å; S2202-E2204 PolarHBondContact O-N 2.79Å; S2202-S2205 CarbonylContact O-C 3.54Å; S2202-S2205 WeakPolarHBondContact O-CA 3.26Å; S2202-S2205 WeakPolarHBondContact O-CB 3.07Å; S2202-S2205 PolarHBondContact O-N 3.33Å; S2202-S2205 VanDerWaalsContact O-N 3.13Å; S2202-E2206 PolarHBondContact O-N 2.93Å |
| 2203 | V | 63.1 | Low | 68.3 | Low | 70 Ų | 70 | 68.2 Ų | 68.2 | 42% | 0.424 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.4 | -38.1 | 175.7 | 159 | 0 | 0 | 0 | 0 | 110.2 | K1984 H2199 L2200 E2206 | K1984-V2203 WeakPolarHBondContact CE-O 3.14Å; K1984-V2203 PolarHBondContact NZ-O 2.8Å; H2199-V2203 WeakPolarHBondContact O-CB 3.16Å; H2199-V2203 WeakPolarHBondContact O-CG2 3.05Å; H2199-V2203 PolarHBondContact O-N 2.94Å; L2200-V2203 PolarHBondContact O-N 3.31Å; V2203-E2206 WeakPolarHBondContact O-CB 3.19Å |
| 2204 | E | 65.8 | Low | 68.5 | Low | 16 Ų | 16 | 71.7 Ų | 71.7 | 8% | 0.075 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -81.5 | -34 | -179 | -64.9 | -177.2 | 94.5 | 0 | 0 | 111.5 | E1980 N1981 K1984 L2200 S2202 E2206 L2207 | E1980-E2204 VanDerWaalsContact CB-C 3.45Å; E1980-E2204 WeakPolarHBondContact CB-O 3.12Å; N1981-E2204 VanDerWaalsContact CA-CB 3.41Å; N1981-E2204 VanDerWaalsContact CA-CD 3.5Å; N1981-E2204 VanDerWaalsContact CA-OE1 3.26Å; N1981-E2204 WeakPolarHBondContact CA-OE1 3.44Å; N1981-E2204 HydrophobicContact CB-CB 3.87Å; N1981-E2204 HydrophobicContact CB-CG 4.17Å; N1981-E2204 WeakPolarHBondContact CB-OE1 3.14Å; N1981-E2204 WeakPolarHBondContact CB-OE2 3.43Å; N1981-E2204 VanDerWaalsContact CG-CB 3.47Å; N1981-E2204 PolarHBondContact ND2-OE2 2.75Å; N1981-E2204 WeakPolarHBondContact OD1-CB 3.28Å; K1984-E2204 HydrophobicContact CB-CG 4.33Å; K1984-E2204 HydrophobicContact CD-CB 4.48Å; K1984-E2204 HydrophobicContact CD-CG 3.83Å; K1984-E2204 HydrophobicContact CG-CB 4.17Å; K1984-E2204 HydrophobicContact CG-CG 3.87Å; L2200-E2204 WeakPolarHBondContact CB-OE2 3.45Å; L2200-E2204 WeakPolarHBondContact CD2-OE2 3.38Å; L2200-E2204 WeakPolarHBondContact O-CA 3.25Å; L2200-E2204 WeakPolarHBondContact O-CB 3.36Å; L2200-E2204 WeakPolarHBondContact O-CG 3.28Å; L2200-E2204 PolarHBondContact O-N 2.79Å; S2202-E2204 PolarHBondContact O-N 2.79Å; E2204-E2206 PolarHBondContact O-N 3.19Å; E2204-L2207 PolarHBondContact O-N 2.86Å |
| 2205 | S | 70.6 | Confident | 68.1 | Low | 4 Ų | 4 | 68.2 Ų | 68.2 | 3% | 0.028 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 4.4 | 164 | -169.9 | 0 | 0 | 0 | 0 | 115.6 | E1980 E2201 S2202 Q2209 | E1980-S2205 VanDerWaalsContact CB-CA 3.47Å; E1980-S2205 WeakPolarHBondContact OE2-CA 3.44Å; E2201-S2205 WeakPolarHBondContact O-CA 3.2Å; E2201-S2205 WeakPolarHBondContact O-CB 3.29Å; E2201-S2205 PolarHBondContact O-N 2.8Å; S2202-S2205 CarbonylContact O-C 3.54Å; S2202-S2205 WeakPolarHBondContact O-CA 3.26Å; S2202-S2205 WeakPolarHBondContact O-CB 3.07Å; S2202-S2205 PolarHBondContact O-N 3.33Å; S2202-S2205 VanDerWaalsContact O-N 3.13Å; S2205-Q2209 WeakPolarHBondContact O-CG 3.41Å; S2205-Q2209 PolarHBondContact O-NE2 3.2Å |
| 2206 | E | 64.1 | Low | 68.4 | Low | 94 Ų | 94 | 68.2 Ų | 68.2 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -23.9 | 160.8 | -60.3 | -163.7 | 145.6 | 0 | 0 | 114.2 | S2202 V2203 E2204 Q2209 K2210 | S2202-E2206 PolarHBondContact O-N 2.93Å; V2203-E2206 WeakPolarHBondContact O-CB 3.19Å; E2204-E2206 PolarHBondContact O-N 3.19Å; E2206-Q2209 WeakPolarHBondContact O-CB 3.15Å; E2206-K2210 HydrophobicContact CB-CD 4.36Å; E2206-K2210 VanDerWaalsContact O-CB 3.26Å; E2206-K2210 WeakPolarHBondContact O-CB 3.48Å; E2206-K2210 VanDerWaalsContact O-CD 3.29Å; E2206-K2210 WeakPolarHBondContact O-CD 3.3Å; E2206-K2210 WeakPolarHBondContact O-CG 3.26Å; E2206-K2210 PolarHBondContact O-N 2.64Å; E2206-K2210 IonicContact OE2-NZ 2.98Å; E2206-K2210 PolarHBondContact OE2-NZ 2.69Å |
| 2207 | L | 68.2 | Low | 68.7 | Low | 42 Ų | 42 | 69.4 Ų | 69.4 | 22% | 0.22 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -90.7 | -31.5 | -171 | -147.4 | 92.5 | 0 | 0 | 0 | 114.2 | K1984 V1987 E2204 Q2209 K2210 S2211 | K1984-L2207 HydrophobicContact CB-CD2 4.32Å; K1984-L2207 HydrophobicContact CD-CB 4.18Å; K1984-L2207 HydrophobicContact CD-CD1 4.42Å; K1984-L2207 HydrophobicContact CG-CB 3.53Å; K1984-L2207 HydrophobicContact CG-CD1 4.41Å; K1984-L2207 HydrophobicContact CG-CD2 3.84Å; K1984-L2207 HydrophobicContact CG-CG 4.08Å; V1987-L2207 HydrophobicContact CB-CD2 4.27Å; V1987-L2207 HydrophobicContact CG2-CD2 3.96Å; E2204-L2207 PolarHBondContact O-N 2.86Å; L2207-Q2209 VanDerWaalsContact C-N 3.32Å; L2207-K2210 HydrophobicContact CD1-CD 4.47Å; L2207-K2210 PolarHBondContact O-N 3.34Å; L2207-S2211 WeakPolarHBondContact O-CB 3.27Å; L2207-S2211 PolarHBondContact O-N 2.98Å |
| 2208 | S | 69.7 | Low | 68.9 | Low | 5 Ų | 5 | 65.3 Ų | 65.3 | 4% | 0.035 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -74.5 | -28.4 | 166.8 | 146.4 | 0 | 0 | 0 | 0 | 111.3 | E1980 R1983 I2212 | E1980-S2208 VanDerWaalsContact CD-CA 3.46Å; E1980-S2208 WeakPolarHBondContact OE1-CB 3.15Å; E1980-S2208 PolarHBondContact OE1-OG 3.28Å; E1980-S2208 VanDerWaalsContact OE2-C 3.29Å; E1980-S2208 WeakPolarHBondContact OE2-CA 3.43Å; E1980-S2208 VanDerWaalsContact OE2-CB 3.22Å; E1980-S2208 WeakPolarHBondContact OE2-CB 3.11Å; E1980-S2208 PolarHBondContact OE2-N 2.92Å; R1983-S2208 VanDerWaalsContact CZ-CB 3.45Å; R1983-S2208 PolarHBondContact NH1-OG 3.26Å; R1983-S2208 PolarHBondContact NH2-O 2.86Å; S2208-I2212 WeakPolarHBondContact O-CB 3.16Å; S2208-I2212 WeakPolarHBondContact O-CD1 3.26Å; S2208-I2212 WeakPolarHBondContact O-CG1 3.42Å; S2208-I2212 PolarHBondContact O-N 3.02Å |
| 2209 | Q | 69.6 | Low | 68.9 | Low | 36 Ų | 36 | 67.1 Ų | 67.1 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.7 | -51.2 | 158.7 | -79.4 | -163 | 59 | 0 | 0 | 112.9 | Y779 E1980 S2205 E2206 L2207 I2212 K2213 | Y779-Q2209 PolarHBondContact OH-NE2 2.67Å; E1980-Q2209 PolarHBondContact OE1-N 2.72Å; E1980-Q2209 PolarHBondContact OE2-N 2.73Å; S2205-Q2209 WeakPolarHBondContact O-CG 3.41Å; S2205-Q2209 PolarHBondContact O-NE2 3.2Å; E2206-Q2209 WeakPolarHBondContact O-CB 3.15Å; L2207-Q2209 VanDerWaalsContact C-N 3.32Å; Q2209-I2212 PolarHBondContact O-N 2.7Å; Q2209-K2213 WeakPolarHBondContact O-CD 3.38Å; Q2209-K2213 VanDerWaalsContact O-CG 3.28Å; Q2209-K2213 WeakPolarHBondContact O-CG 3.45Å; Q2209-K2213 PolarHBondContact O-N 2.7Å |
| 2210 | K | 72.2 | Confident | 69.3 | Low | 109 Ų | 109 | 66.3 Ų | 66.3 | 47% | 0.474 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | -177.4 | -78.1 | 159 | -176.6 | 167.7 | 0 | 112 | E2206 L2207 K2213 L2214 | E2206-K2210 HydrophobicContact CB-CD 4.36Å; E2206-K2210 VanDerWaalsContact O-CB 3.26Å; E2206-K2210 WeakPolarHBondContact O-CB 3.48Å; E2206-K2210 VanDerWaalsContact O-CD 3.29Å; E2206-K2210 WeakPolarHBondContact O-CD 3.3Å; E2206-K2210 WeakPolarHBondContact O-CG 3.26Å; E2206-K2210 PolarHBondContact O-N 2.64Å; E2206-K2210 IonicContact OE2-NZ 2.98Å; E2206-K2210 PolarHBondContact OE2-NZ 2.69Å; L2207-K2210 HydrophobicContact CD1-CD 4.47Å; L2207-K2210 PolarHBondContact O-N 3.34Å; K2210-K2213 CarbonylContact O-C 3.48Å; K2210-K2213 PolarHBondContact O-N 3.28Å; K2210-L2214 PolarHBondContact O-N 3.46Å |
| 2211 | S | 67.3 | Low | 69.8 | Low | 23 Ų | 23 | 66.7 Ų | 66.7 | 16% | 0.161 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -80.8 | -14.4 | 173.9 | -83.9 | 0 | 0 | 0 | 0 | 114.3 | L2207 N2215 | L2207-S2211 WeakPolarHBondContact O-CB 3.27Å; L2207-S2211 PolarHBondContact O-N 2.98Å; S2211-N2215 VanDerWaalsContact O-CB 3.31Å; S2211-N2215 WeakPolarHBondContact O-CB 3.4Å; S2211-N2215 PolarHBondContact O-N 2.75Å; S2211-N2215 PolarHBondContact O-OD1 2.72Å |
| 2212 | I | 76.5 | Confident | 69.7 | Low | 80 Ų | 80 | 69.6 Ų | 69.6 | 41% | 0.41 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -72.9 | -42.8 | 164.3 | -82.1 | 162.9 | 0 | 0 | 0 | 108.4 | S2208 Q2209 L2214 N2215 E2216 | S2208-I2212 WeakPolarHBondContact O-CB 3.16Å; S2208-I2212 WeakPolarHBondContact O-CD1 3.26Å; S2208-I2212 WeakPolarHBondContact O-CG1 3.42Å; S2208-I2212 PolarHBondContact O-N 3.02Å; Q2209-I2212 PolarHBondContact O-N 2.7Å; I2212-L2214 VanDerWaalsContact C-N 3.26Å; I2212-L2214 PolarHBondContact O-N 3.21Å; I2212-N2215 CarbonylContact O-C 3.54Å; I2212-N2215 PolarHBondContact O-N 3.3Å; I2212-E2216 WeakPolarHBondContact O-CB 3.31Å; I2212-E2216 PolarHBondContact O-N 2.7Å |
| 2213 | K | 72.4 | Confident | 69.4 | Low | 97 Ų | 97 | 71.2 Ų | 71.2 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62 | -34.6 | 171.8 | -66.1 | 157 | -165.5 | 165.8 | 0 | 111.3 | Q2209 K2210 V2217 | Q2209-K2213 WeakPolarHBondContact O-CD 3.38Å; Q2209-K2213 VanDerWaalsContact O-CG 3.28Å; Q2209-K2213 WeakPolarHBondContact O-CG 3.45Å; Q2209-K2213 PolarHBondContact O-N 2.7Å; K2210-K2213 CarbonylContact O-C 3.48Å; K2210-K2213 PolarHBondContact O-N 3.28Å; K2213-V2217 WeakPolarHBondContact O-CB 3.48Å; K2213-V2217 VanDerWaalsContact O-CG2 3.27Å; K2213-V2217 WeakPolarHBondContact O-CG2 3.28Å; K2213-V2217 PolarHBondContact O-N 3.38Å |
| 2214 | L | 68.8 | Low | 69.3 | Low | 100 Ų | 100 | 73.5 Ų | 73.5 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.8 | -46.1 | 171.1 | -167.8 | 70 | 0 | 0 | 0 | 112.1 | K2210 I2212 V2217 S2218 | K2210-L2214 PolarHBondContact O-N 3.46Å; I2212-L2214 VanDerWaalsContact C-N 3.26Å; I2212-L2214 PolarHBondContact O-N 3.21Å; L2214-V2217 CarbonylContact O-C 3.51Å; L2214-V2217 PolarHBondContact O-N 2.82Å; L2214-V2217 VanDerWaalsContact O-N 3.13Å; L2214-S2218 PolarHBondContact O-N 2.76Å; L2214-S2218 PolarHBondContact O-OG 2.75Å |
| 2215 | N | 67.3 | Low | 68.9 | Low | 92 Ų | 92 | 77.5 Ų | 77.5 | 49% | 0.492 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 177.7 | -74.6 | -0.4 | 0 | 0 | 0 | 111.6 | S2211 I2212 V2217 S2218 E2219 | S2211-N2215 VanDerWaalsContact O-CB 3.31Å; S2211-N2215 WeakPolarHBondContact O-CB 3.4Å; S2211-N2215 PolarHBondContact O-N 2.75Å; S2211-N2215 PolarHBondContact O-OD1 2.72Å; I2212-N2215 CarbonylContact O-C 3.54Å; I2212-N2215 PolarHBondContact O-N 3.3Å; N2215-V2217 VanDerWaalsContact C-N 3.31Å; N2215-V2217 PolarHBondContact O-N 2.9Å; N2215-S2218 CarbonylContact O-C 3.57Å; N2215-S2218 PolarHBondContact O-N 3.4Å; N2215-E2219 WeakPolarHBondContact O-CB 3.43Å; N2215-E2219 WeakPolarHBondContact O-CG 3.19Å; N2215-E2219 PolarHBondContact O-N 3.21Å |
| 2216 | E | 75.3 | Confident | 68.2 | Low | 73 Ų | 73 | 81 Ų | 81 | 34% | 0.341 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.3 | -38.4 | 169.1 | -85.7 | -168.8 | -138.9 | 0 | 0 | 112.1 | I2212 E2219 K2220 | I2212-E2216 WeakPolarHBondContact O-CB 3.31Å; I2212-E2216 PolarHBondContact O-N 2.7Å; E2216-E2219 PolarHBondContact O-N 2.67Å; E2216-K2220 VanDerWaalsContact O-CB 3.26Å; E2216-K2220 WeakPolarHBondContact O-CB 3.17Å; E2216-K2220 VanDerWaalsContact O-CD 3.31Å; E2216-K2220 WeakPolarHBondContact O-CD 3.48Å; E2216-K2220 WeakPolarHBondContact O-CG 3.08Å; E2216-K2220 PolarHBondContact O-N 3.21Å; E2216-K2220 IonicContact OE2-NZ 2.65Å; E2216-K2220 PolarHBondContact OE2-NZ 3.44Å |
| 2217 | V | 66.6 | Low | 68.1 | Low | 92 Ų | 92 | 81.3 Ų | 81.3 | 56% | 0.558 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -70.3 | -39.1 | 175.3 | 166.1 | 0 | 0 | 0 | 0 | 110.6 | K2213 L2214 N2215 E2219 K2220 L2221 | K2213-V2217 WeakPolarHBondContact O-CB 3.48Å; K2213-V2217 VanDerWaalsContact O-CG2 3.27Å; K2213-V2217 WeakPolarHBondContact O-CG2 3.28Å; K2213-V2217 PolarHBondContact O-N 3.38Å; L2214-V2217 CarbonylContact O-C 3.51Å; L2214-V2217 PolarHBondContact O-N 2.82Å; L2214-V2217 VanDerWaalsContact O-N 3.13Å; N2215-V2217 VanDerWaalsContact C-N 3.31Å; N2215-V2217 PolarHBondContact O-N 2.9Å; V2217-E2219 VanDerWaalsContact C-N 3.34Å; V2217-K2220 PolarHBondContact O-N 2.75Å; V2217-L2221 VanDerWaalsContact O-CB 3.24Å; V2217-L2221 WeakPolarHBondContact O-CB 3.36Å; V2217-L2221 PolarHBondContact O-N 2.77Å |
| 2218 | S | 68.6 | Low | 67.5 | Low | 50 Ų | 50 | 86.3 Ų | 86.3 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66 | -32.7 | 171.1 | -68.8 | 0 | 0 | 0 | 0 | 112.6 | L2214 N2215 N2222 | L2214-S2218 PolarHBondContact O-N 2.76Å; L2214-S2218 PolarHBondContact O-OG 2.75Å; N2215-S2218 CarbonylContact O-C 3.57Å; N2215-S2218 PolarHBondContact O-N 3.4Å; S2218-N2222 WeakPolarHBondContact O-CB 3.48Å; S2218-N2222 PolarHBondContact O-N 2.95Å; S2218-N2222 PolarHBondContact O-ND2 2.71Å |
| 2219 | E | 72.3 | Confident | 66.7 | Low | 133 Ų | 133 | 88.4 Ų | 88.4 | 62% | 0.621 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -79.1 | -32.7 | 174 | -77 | -163.9 | 163.5 | 0 | 0 | 112.3 | N2215 E2216 V2217 L2221 N2222 T2223 | N2215-E2219 WeakPolarHBondContact O-CB 3.43Å; N2215-E2219 WeakPolarHBondContact O-CG 3.19Å; N2215-E2219 PolarHBondContact O-N 3.21Å; E2216-E2219 PolarHBondContact O-N 2.67Å; V2217-E2219 VanDerWaalsContact C-N 3.34Å; E2219-L2221 VanDerWaalsContact C-N 3.34Å; E2219-N2222 CarbonylContact O-C 3.43Å; E2219-N2222 PolarHBondContact O-N 2.96Å; E2219-T2223 WeakPolarHBondContact O-CA 3.1Å; E2219-T2223 VanDerWaalsContact O-CB 3.26Å; E2219-T2223 WeakPolarHBondContact O-CB 3.26Å; E2219-T2223 VanDerWaalsContact O-CG2 3.28Å; E2219-T2223 WeakPolarHBondContact O-CG2 3.46Å; E2219-T2223 PolarHBondContact O-N 3.07Å; E2219-T2223 PolarHBondContact O-OG1 2.83Å |
| 2220 | K | 73.3 | Confident | 65.7 | Low | 112 Ų | 112 | 93 Ų | 93 | 49% | 0.487 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.7 | -36.5 | 168.8 | -75.2 | 158.6 | -173.9 | 161.1 | 0 | 110.9 | E2216 V2217 T2223 L2224 | E2216-K2220 VanDerWaalsContact O-CB 3.26Å; E2216-K2220 WeakPolarHBondContact O-CB 3.17Å; E2216-K2220 VanDerWaalsContact O-CD 3.31Å; E2216-K2220 WeakPolarHBondContact O-CD 3.48Å; E2216-K2220 WeakPolarHBondContact O-CG 3.08Å; E2216-K2220 PolarHBondContact O-N 3.21Å; E2216-K2220 IonicContact OE2-NZ 2.65Å; E2216-K2220 PolarHBondContact OE2-NZ 3.44Å; V2217-K2220 PolarHBondContact O-N 2.75Å; K2220-T2223 WeakPolarHBondContact CA-OG1 3.12Å; K2220-T2223 PolarHBondContact O-OG1 2.88Å; K2220-L2224 WeakPolarHBondContact O-CB 3.3Å; K2220-L2224 VanDerWaalsContact O-CG 3.27Å; K2220-L2224 WeakPolarHBondContact O-CG 3.49Å; K2220-L2224 PolarHBondContact O-N 3.29Å |
| 2221 | L | 71.1 | Confident | 64.4 | Low | 104 Ų | 104 | 94.4 Ų | 94.4 | 55% | 0.545 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.8 | -49.4 | 170.1 | -176.2 | 63.7 | 0 | 0 | 0 | 110.9 | V2217 E2219 T2223 L2224 Q2225 | V2217-L2221 VanDerWaalsContact O-CB 3.24Å; V2217-L2221 WeakPolarHBondContact O-CB 3.36Å; V2217-L2221 PolarHBondContact O-N 2.77Å; E2219-L2221 VanDerWaalsContact C-N 3.34Å; L2221-T2223 VanDerWaalsContact C-N 3.29Å; L2221-T2223 PolarHBondContact O-N 3.33Å; L2221-L2224 PolarHBondContact O-N 3.34Å; L2221-Q2225 WeakPolarHBondContact O-CB 3.29Å; L2221-Q2225 PolarHBondContact O-N 3.15Å |
| 2222 | N | 66.6 | Low | 63.3 | Low | 79 Ų | 79 | 98 Ų | 98 | 42% | 0.422 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.6 | -26.5 | 177.6 | -75.4 | -24.2 | 0 | 0 | 0 | 112.6 | S2218 E2219 N2226 | S2218-N2222 WeakPolarHBondContact O-CB 3.48Å; S2218-N2222 PolarHBondContact O-N 2.95Å; S2218-N2222 PolarHBondContact O-ND2 2.71Å; E2219-N2222 CarbonylContact O-C 3.43Å; E2219-N2222 PolarHBondContact O-N 2.96Å; N2222-N2226 WeakPolarHBondContact O-CA 3.45Å; N2222-N2226 WeakPolarHBondContact O-CB 3.46Å; N2222-N2226 PolarHBondContact O-N 2.79Å; N2222-N2226 PolarHBondContact O-ND2 3.34Å |
| 2223 | T | 68 | Low | 61.6 | Low | 84 Ų | 84 | 99.7 Ų | 99.7 | 52% | 0.515 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -85.3 | -30.2 | 174.4 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | E2219 K2220 L2221 N2226 E2227 | E2219-T2223 WeakPolarHBondContact O-CA 3.1Å; E2219-T2223 VanDerWaalsContact O-CB 3.26Å; E2219-T2223 WeakPolarHBondContact O-CB 3.26Å; E2219-T2223 VanDerWaalsContact O-CG2 3.28Å; E2219-T2223 WeakPolarHBondContact O-CG2 3.46Å; E2219-T2223 PolarHBondContact O-N 3.07Å; E2219-T2223 PolarHBondContact O-OG1 2.83Å; K2220-T2223 WeakPolarHBondContact CA-OG1 3.12Å; K2220-T2223 PolarHBondContact O-OG1 2.88Å; L2221-T2223 VanDerWaalsContact C-N 3.29Å; L2221-T2223 PolarHBondContact O-N 3.33Å; T2223-N2226 CarbonylContact O-C 3.37Å; T2223-E2227 VanDerWaalsContact O-CB 3.28Å; T2223-E2227 WeakPolarHBondContact O-CB 3.36Å; T2223-E2227 PolarHBondContact O-N 2.75Å |
| 2224 | L | 60.6 | Low | 59.9 | Low | 119 Ų | 119 | 101.5 Ų | 101.5 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.6 | -39.5 | 164 | -76.5 | 169 | 0 | 0 | 0 | 111.4 | K2220 L2221 E2227 Y2228 | K2220-L2224 WeakPolarHBondContact O-CB 3.3Å; K2220-L2224 VanDerWaalsContact O-CG 3.27Å; K2220-L2224 WeakPolarHBondContact O-CG 3.49Å; K2220-L2224 PolarHBondContact O-N 3.29Å; L2221-L2224 PolarHBondContact O-N 3.34Å; L2224-E2227 PolarHBondContact O-N 2.8Å; L2224-Y2228 WeakPolarHBondContact O-CB 3.13Å; L2224-Y2228 PolarHBondContact O-N 3.05Å |
| 2225 | Q | 58.6 | Low | 58.4 | Low | 100 Ų | 100 | 105.2 Ų | 105.2 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.9 | -37.5 | 174.5 | -174.5 | 171.2 | -17 | 0 | 0 | 111.3 | L2221 Y2228 I2229 | L2221-Q2225 WeakPolarHBondContact O-CB 3.29Å; L2221-Q2225 PolarHBondContact O-N 3.15Å; Q2225-Y2228 WeakPolarHBondContact O-CB 3.22Å; Q2225-Y2228 PolarHBondContact O-N 2.86Å; Q2225-I2229 HydrophobicContact CG-CD1 4.02Å; Q2225-I2229 WeakPolarHBondContact O-CB 3.21Å; Q2225-I2229 WeakPolarHBondContact O-CD1 3.22Å; Q2225-I2229 WeakPolarHBondContact O-CG1 3.28Å; Q2225-I2229 PolarHBondContact O-N 3.26Å |
| 2226 | N | 56.1 | Low | 56.9 | Low | 77 Ų | 77 | 104.2 Ų | 104.2 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -77.5 | -21.1 | 172.4 | -73.2 | -30.2 | 0 | 0 | 0 | 112.8 | N2222 T2223 K2230 | N2222-N2226 WeakPolarHBondContact O-CA 3.45Å; N2222-N2226 WeakPolarHBondContact O-CB 3.46Å; N2222-N2226 PolarHBondContact O-N 2.79Å; N2222-N2226 PolarHBondContact O-ND2 3.34Å; T2223-N2226 CarbonylContact O-C 3.37Å; N2226-K2230 WeakPolarHBondContact O-CB 3.09Å; N2226-K2230 WeakPolarHBondContact O-CD 3.41Å; N2226-K2230 WeakPolarHBondContact O-CG 3.09Å; N2226-K2230 PolarHBondContact O-N 3.05Å |
| 2227 | E | 61 | Low | 54.9 | Low | 101 Ų | 101 | 108.9 Ų | 108.9 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.6 | -40.7 | 165 | -97.5 | -149.2 | -166.8 | 0 | 0 | 111 | T2223 L2224 K2230 K2231 | T2223-E2227 VanDerWaalsContact O-CB 3.28Å; T2223-E2227 WeakPolarHBondContact O-CB 3.36Å; T2223-E2227 PolarHBondContact O-N 2.75Å; L2224-E2227 PolarHBondContact O-N 2.8Å; E2227-K2230 PolarHBondContact O-N 2.86Å; E2227-K2231 VanDerWaalsContact O-CB 3.29Å; E2227-K2231 WeakPolarHBondContact O-CB 3.43Å; E2227-K2231 WeakPolarHBondContact O-CD 3.29Å; E2227-K2231 VanDerWaalsContact O-CG 3.24Å; E2227-K2231 WeakPolarHBondContact O-CG 2.95Å; E2227-K2231 PolarHBondContact O-N 2.82Å; E2227-K2231 IonicContact OE2-NZ 2.72Å; E2227-K2231 PolarHBondContact OE2-NZ 3.01Å |
| 2228 | Y | 56.3 | Low | 53.7 | Low | 146 Ų | 146 | 107.9 Ų | 107.9 | 57% | 0.573 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.5 | -51.6 | 172.4 | -179.2 | -81.1 | 0 | 0 | 0 | 109.9 | L2224 Q2225 K2230 K2231 E2232 | L2224-Y2228 WeakPolarHBondContact O-CB 3.13Å; L2224-Y2228 PolarHBondContact O-N 3.05Å; Q2225-Y2228 WeakPolarHBondContact O-CB 3.22Å; Q2225-Y2228 PolarHBondContact O-N 2.86Å; Y2228-K2230 VanDerWaalsContact C-N 3.35Å; Y2228-K2230 PolarHBondContact O-N 3.35Å; Y2228-K2231 CarbonylContact O-C 3.53Å; Y2228-K2231 WeakPolarHBondContact O-CA 3.49Å; Y2228-K2231 WeakPolarHBondContact O-CB 3.23Å; Y2228-K2231 PolarHBondContact O-N 2.84Å; Y2228-K2231 VanDerWaalsContact O-N 3.1Å; Y2228-E2232 HydrophobicContact CE1-CG 4.09Å; Y2228-E2232 WeakPolarHBondContact CE1-OE2 3.15Å; Y2228-E2232 PolarHBondContact O-N 3.26Å |
| 2229 | I | 53.2 | Low | 52.4 | Low | 50 Ų | 50 | 109.6 Ų | 109.6 | 26% | 0.256 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63 | -37.5 | 176.1 | -68.4 | 163.1 | 0 | 0 | 0 | 111 | Q2225 E2232 Q2233 | Q2225-I2229 HydrophobicContact CG-CD1 4.02Å; Q2225-I2229 WeakPolarHBondContact O-CB 3.21Å; Q2225-I2229 WeakPolarHBondContact O-CD1 3.22Å; Q2225-I2229 WeakPolarHBondContact O-CG1 3.28Å; Q2225-I2229 PolarHBondContact O-N 3.26Å; I2229-E2232 CarbonylContact O-C 3.48Å; I2229-E2232 PolarHBondContact O-N 3.06Å; I2229-Q2233 VanDerWaalsContact CG2-CD 3.49Å; I2229-Q2233 HydrophobicContact CG2-CG 4.06Å; I2229-Q2233 WeakPolarHBondContact O-CB 3.31Å; I2229-Q2233 VanDerWaalsContact O-CG 3.3Å; I2229-Q2233 WeakPolarHBondContact O-CG 2.98Å; I2229-Q2233 PolarHBondContact O-N 2.91Å |
| 2230 | K | 47.1 | Very low | 51 | Low | 132 Ų | 132 | 111 Ų | 111 | 57% | 0.574 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.5 | -32.8 | 172.7 | -77.8 | 169.6 | -178.3 | 178.4 | 0 | 112.7 | N2226 E2227 Y2228 E2232 Q2233 I2234 | N2226-K2230 WeakPolarHBondContact O-CB 3.09Å; N2226-K2230 WeakPolarHBondContact O-CD 3.41Å; N2226-K2230 WeakPolarHBondContact O-CG 3.09Å; N2226-K2230 PolarHBondContact O-N 3.05Å; E2227-K2230 PolarHBondContact O-N 2.86Å; Y2228-K2230 VanDerWaalsContact C-N 3.35Å; Y2228-K2230 PolarHBondContact O-N 3.35Å; K2230-E2232 VanDerWaalsContact C-N 3.25Å; K2230-E2232 PolarHBondContact O-N 3.01Å; K2230-Q2233 PolarHBondContact O-N 2.65Å; K2230-I2234 VanDerWaalsContact O-CB 3.28Å; K2230-I2234 WeakPolarHBondContact O-CB 3Å; K2230-I2234 WeakPolarHBondContact O-CD1 3.36Å; K2230-I2234 WeakPolarHBondContact O-CG1 3.12Å; K2230-I2234 PolarHBondContact O-N 2.83Å |
| 2231 | K | 46.4 | Very low | 49.6 | Very low | 139 Ų | 139 | 112.1 Ų | 112.1 | 60% | 0.604 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.3 | -24.3 | 170.4 | -76.2 | 159.7 | 177.5 | 156.1 | 0 | 112 | E2227 Y2228 | E2227-K2231 VanDerWaalsContact O-CB 3.29Å; E2227-K2231 WeakPolarHBondContact O-CB 3.43Å; E2227-K2231 WeakPolarHBondContact O-CD 3.29Å; E2227-K2231 VanDerWaalsContact O-CG 3.24Å; E2227-K2231 WeakPolarHBondContact O-CG 2.95Å; E2227-K2231 PolarHBondContact O-N 2.82Å; E2227-K2231 IonicContact OE2-NZ 2.72Å; E2227-K2231 PolarHBondContact OE2-NZ 3.01Å; Y2228-K2231 CarbonylContact O-C 3.53Å; Y2228-K2231 WeakPolarHBondContact O-CA 3.49Å; Y2228-K2231 WeakPolarHBondContact O-CB 3.23Å; Y2228-K2231 PolarHBondContact O-N 2.84Å; Y2228-K2231 VanDerWaalsContact O-N 3.1Å |
| 2232 | E | 42.4 | Very low | 48.4 | Very low | 99 Ų | 99 | 115 Ų | 115 | 46% | 0.463 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -84.2 | -35.1 | 167.1 | -67.9 | -163.4 | 132.1 | 0 | 0 | 113.9 | Y2228 I2229 K2230 K2235 | Y2228-E2232 HydrophobicContact CE1-CG 4.09Å; Y2228-E2232 WeakPolarHBondContact CE1-OE2 3.15Å; Y2228-E2232 PolarHBondContact O-N 3.26Å; I2229-E2232 CarbonylContact O-C 3.48Å; I2229-E2232 PolarHBondContact O-N 3.06Å; K2230-E2232 VanDerWaalsContact C-N 3.25Å; K2230-E2232 PolarHBondContact O-N 3.01Å; E2232-K2235 WeakPolarHBondContact O-CA 3.49Å; E2232-K2235 WeakPolarHBondContact O-CB 3.2Å; E2232-K2235 PolarHBondContact O-N 2.76Å |
| 2233 | Q | 41 | Very low | 47.4 | Very low | 114 Ų | 114 | 119.3 Ų | 119.3 | 53% | 0.533 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -83 | -25.4 | -177.4 | -73.4 | 175.3 | -17.1 | 0 | 0 | 113.2 | I2229 K2230 K2235 S2236 | I2229-Q2233 VanDerWaalsContact CG2-CD 3.49Å; I2229-Q2233 HydrophobicContact CG2-CG 4.06Å; I2229-Q2233 WeakPolarHBondContact O-CB 3.31Å; I2229-Q2233 VanDerWaalsContact O-CG 3.3Å; I2229-Q2233 WeakPolarHBondContact O-CG 2.98Å; I2229-Q2233 PolarHBondContact O-N 2.91Å; K2230-Q2233 PolarHBondContact O-N 2.65Å; Q2233-K2235 PolarHBondContact O-N 3.48Å; Q2233-S2236 CarbonylContact O-C 3.07Å; Q2233-S2236 PolarHBondContact O-N 2.97Å |
| 2234 | I | 37 | Very low | 46.5 | Very low | 135 Ų | 135 | 121 Ų | 121 | 69% | 0.692 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -20.3 | 164.8 | -72.2 | 166.3 | 0 | 0 | 0 | 110.8 | K2230 S2236 | K2230-I2234 VanDerWaalsContact O-CB 3.28Å; K2230-I2234 WeakPolarHBondContact O-CB 3Å; K2230-I2234 WeakPolarHBondContact O-CD1 3.36Å; K2230-I2234 WeakPolarHBondContact O-CG1 3.12Å; K2230-I2234 PolarHBondContact O-N 2.83Å; I2234-S2236 VanDerWaalsContact C-N 3.33Å |
| 2235 | K | 36.8 | Very low | 46.3 | Very low | 178 Ų | 178 | 120 Ų | 120 | 77% | 0.774 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -7.7 | 172.3 | -125.8 | 172.5 | -176 | 177.1 | 0 | 113.6 | E2232 Q2233 | E2232-K2235 WeakPolarHBondContact O-CA 3.49Å; E2232-K2235 WeakPolarHBondContact O-CB 3.2Å; E2232-K2235 PolarHBondContact O-N 2.76Å; Q2233-K2235 PolarHBondContact O-N 3.48Å |
| 2236 | S | 36.5 | Very low | 45.9 | Very low | 72 Ų | 72 | 120.4 Ų | 120.4 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | trans | -156.6 | 87 | 179 | 59.9 | 0 | 0 | 0 | 0 | 110.4 | Q2233 I2234 S2238 | Q2233-S2236 CarbonylContact O-C 3.07Å; Q2233-S2236 PolarHBondContact O-N 2.97Å; I2234-S2236 VanDerWaalsContact C-N 3.33Å; S2236-S2238 PolarHBondContact O-N 3.23Å | ||
| 2237 | H | 32.6 | Very low | 45.3 | Very low | 170 Ų | 170 | 122.3 Ų | 122.3 | 79% | 0.787 | 59% | 0.588 | S | S | * | * | 44.6 | 45.3 | 55.5 | -86.1 | 91.2 | 0 | 0 | 0 | 113.8 | P2239 | H2237-P2239 VanDerWaalsContact C-CD 3.44Š| |||
| 2238 | S | 42.6 | Very low | 44.8 | Very low | 72 Ų | 72 | 120.2 Ų | 120.2 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | trans | -134 | 49.9 | 150.1 | -171 | 0 | 0 | 0 | 0 | 112.4 | S2236 | S2236-S2238 PolarHBondContact O-N 3.23Š| ||
| 2239 | P | 41.2 | Very low | 44.4 | Very low | 86 Ų | 86 | 119 Ų | 119 | 56% | 0.558 | 58% | 0.582 | S | S | * | * | trans | -64.5 | 174.3 | 174.3 | 33.4 | -38.4 | 0 | 0 | 0 | 111.6 | H2237 L2241 | H2237-P2239 VanDerWaalsContact C-CD 3.44Å; P2239-L2241 PolarHBondContact O-N 2.92Å | ||
| 2240 | E | 43.5 | Very low | 43.6 | Very low | 163 Ų | 163 | 123.4 Ų | 123.4 | 76% | 0.762 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 67.5 | -29.7 | 177.3 | -51.8 | -170.3 | 128.3 | 0 | 0 | 115.6 | E2242 K2243 | E2240-E2242 VanDerWaalsContact C-N 3.29Å; E2240-E2242 PolarHBondContact O-N 3Å; E2240-K2243 WeakPolarHBondContact O-CB 3.46Å; E2240-K2243 PolarHBondContact O-N 2.86Å |
| 2241 | L | 43.1 | Very low | 43.4 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 70% | 0.702 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.5 | -35 | 177.6 | -144.8 | 78.1 | 0 | 0 | 0 | 113.1 | P2239 K2243 | P2239-L2241 PolarHBondContact O-N 2.92Å; L2241-K2243 VanDerWaalsContact C-N 3.26Å; L2241-K2243 PolarHBondContact O-N 2.9Å |
| 2242 | E | 45.9 | Very low | 43.6 | Very low | 165 Ų | 165 | 122 Ų | 122 | 77% | 0.771 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.5 | -19.6 | 175 | -66.3 | 178.8 | 125.8 | 0 | 0 | 112.9 | E2240 | E2240-E2242 VanDerWaalsContact C-N 3.29Å; E2240-E2242 PolarHBondContact O-N 3Å |
| 2243 | K | 45.9 | Very low | 43.7 | Very low | 170 Ų | 170 | 123.7 Ų | 123.7 | 74% | 0.739 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -83.7 | -18 | -169.9 | -132.5 | 173 | -173.5 | 176.9 | 0 | 114.5 | E2240 L2241 | E2240-K2243 WeakPolarHBondContact O-CB 3.46Å; E2240-K2243 PolarHBondContact O-N 2.86Å; L2241-K2243 VanDerWaalsContact C-N 3.26Å; L2241-K2243 PolarHBondContact O-N 2.9Å |
| 2244 | E | 49.1 | Very low | 43.1 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 56% | 0.556 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -108.1 | -20.9 | 174.6 | -77.3 | -62.2 | 143 | 0 | 0 | 113.7 | K2247 C2248 | E2244-K2247 IonicContact OE1-NZ 2.71Å; E2244-K2247 PolarHBondContact OE1-NZ 3.35Å; E2244-K2247 IonicContact OE2-NZ 3.4Å; E2244-C2248 VanDerWaalsContact O-CB 3.31Å; E2244-C2248 WeakPolarHBondContact O-CB 3.18Å; E2244-C2248 PolarHBondContact O-N 2.99Å |
| 2245 | L | 55 | Low | 42.9 | Very low | 98 Ų | 98 | 120 Ų | 120 | 51% | 0.513 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -76.2 | -41.1 | 179 | -171.6 | 59.6 | 0 | 0 | 0 | 113.1 | C2248 K2249 | L2245-C2248 WeakPolarHBondContact O-CB 3.4Å; L2245-C2248 PolarHBondContact O-N 3.01Å; L2245-C2248 VanDerWaalsContact O-N 3.11Å; L2245-K2249 PolarHBondContact O-N 3.42Å |
| 2246 | E | 51.7 | Low | 42.7 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 51% | 0.505 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.7 | -36.3 | -177.9 | -164.3 | 51.9 | -144.3 | 0 | 0 | 111.7 | C2248 Q2250 | E2246-C2248 PolarHBondContact O-N 3.27Å; E2246-Q2250 PolarHBondContact OE1-NE2 2.88Å; E2246-Q2250 VanDerWaalsContact OE1-NE2 3.11Å |
| 2247 | K | 43.7 | Very low | 43 | Very low | 118 Ų | 118 | 122.9 Ų | 122.9 | 51% | 0.513 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -58.4 | -27.4 | 169 | -162.9 | 174.8 | 174 | -170.5 | 0 | 113.2 | E2244 Q2251 | E2244-K2247 IonicContact OE1-NZ 2.71Å; E2244-K2247 PolarHBondContact OE1-NZ 3.35Å; E2244-K2247 IonicContact OE2-NZ 3.4Å; K2247-Q2251 WeakPolarHBondContact O-CG 2.85Å |
| 2248 | C | 49.3 | Very low | 42.8 | Very low | 56 Ų | 56 | 119.3 Ų | 119.3 | 38% | 0.378 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -92.7 | -26.5 | -173.4 | -171 | 0 | 0 | 0 | 0 | 114.6 | E2244 L2245 E2246 | E2244-C2248 VanDerWaalsContact O-CB 3.31Å; E2244-C2248 WeakPolarHBondContact O-CB 3.18Å; E2244-C2248 PolarHBondContact O-N 2.99Å; L2245-C2248 WeakPolarHBondContact O-CB 3.4Å; L2245-C2248 PolarHBondContact O-N 3.01Å; L2245-C2248 VanDerWaalsContact O-N 3.11Å; E2246-C2248 PolarHBondContact O-N 3.27Å |
| 2249 | K | 48.2 | Very low | 42.5 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 53% | 0.526 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -82.4 | -43.7 | -175.9 | -75.4 | 178.4 | -177.9 | 168.2 | 0 | 113.4 | L2245 Q2251 Q2252 | L2245-K2249 PolarHBondContact O-N 3.42Å; K2249-Q2251 VanDerWaalsContact C-N 3.28Å; K2249-Q2251 PolarHBondContact O-N 3.26Å; K2249-Q2252 PolarHBondContact O-N 2.95Å; K2249-Q2252 VanDerWaalsContact O-N 3.11Å |
| 2250 | Q | 36.3 | Very low | 42 | Very low | 142 Ų | 142 | 125.2 Ų | 125.2 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.7 | -31.6 | -179.8 | -58.5 | -169.6 | 16.8 | 0 | 0 | 111.6 | E2246 Q2252 | E2246-Q2250 PolarHBondContact OE1-NE2 2.88Å; E2246-Q2250 VanDerWaalsContact OE1-NE2 3.11Å; Q2250-Q2252 PolarHBondContact O-N 3.15Å |
| 2251 | Q | 43.1 | Very low | 41.4 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -0.7 | 172.7 | -66.3 | -168.7 | -7 | 0 | 0 | 115.2 | K2247 K2249 | K2247-Q2251 WeakPolarHBondContact O-CG 2.85Å; K2249-Q2251 VanDerWaalsContact C-N 3.28Å; K2249-Q2251 PolarHBondContact O-N 3.26Å |
| 2252 | Q | 51.1 | Low | 40.7 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 44% | 0.444 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -122.6 | 0.7 | -176.9 | -75.7 | -158.7 | 17.6 | 0 | 0 | 117.3 | K2249 Q2250 S2255 | K2249-Q2252 PolarHBondContact O-N 2.95Å; K2249-Q2252 VanDerWaalsContact O-N 3.11Å; Q2250-Q2252 PolarHBondContact O-N 3.15Å; Q2252-S2255 PolarHBondContact O-OG 3.09Å |
| 2253 | I | 44 | Very low | 39.8 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 68% | 0.682 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | -28.2 | 170.4 | -59.7 | -175.8 | 0 | 0 | 0 | 112.1 | S2255 R2256 | I2253-S2255 PolarHBondContact O-N 2.93Å; I2253-R2256 PolarHBondContact O-N 2.81Å; I2253-R2256 VanDerWaalsContact O-N 3.16Å |
| 2254 | A | 29.4 | Very low | 39.2 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 81% | 0.81 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | 0.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 2255 | S | 32.7 | Very low | 38 | Very low | 74 Ų | 74 | 121.6 Ų | 121.6 | 52% | 0.517 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127.1 | 15.3 | 180 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | Q2252 I2253 | Q2252-S2255 PolarHBondContact O-OG 3.09Å; I2253-S2255 PolarHBondContact O-N 2.93Å |
| 2256 | R | 32 | Very low | 36.6 | Very low | 167 Ų | 167 | 125.7 Ų | 125.7 | 63% | 0.63 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | -34.2 | -172.8 | -80 | -166.8 | 166.5 | 147.6 | 4.8 | 119.3 | I2253 | I2253-R2256 PolarHBondContact O-N 2.81Å; I2253-R2256 VanDerWaalsContact O-N 3.16Å |
| 2257 | L | 42.7 | Very low | 35.5 | Very low | 144 Ų | 144 | 123.5 Ų | 123.5 | 75% | 0.754 | 61% | 0.614 | S | S | * | * | trans | -147.1 | 85.5 | 179.9 | -70 | 175.5 | 0 | 0 | 0 | 111.4 | D2259 | L2257-D2259 VanDerWaalsContact C-N 3.29Å; L2257-D2259 VanDerWaalsContact CA-N 3.26Å; L2257-D2259 HydrophobicContact CD2-CB 3.93Å | ||
| 2258 | D | 27.6 | Very low | 34.8 | Very low | 94 Ų | 94 | 120.4 Ų | 120.4 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | cis | 45.2 | 26.5 | 0.4 | -149.6 | 31.7 | 0 | 0 | 0 | 119.2 | R2260 | D2258-R2260 WeakPolarHBondContact O-CD 3.36Å; D2258-R2260 WeakPolarHBondContact O-CG 3.43Å; D2258-R2260 PolarHBondContact O-NE 2.88Å; D2258-R2260 VanDerWaalsContact OD1-CG 3.23Å; D2258-R2260 WeakPolarHBondContact OD1-CG 3.39Å; D2258-R2260 IonicContact OD1-CZ 3.96Å; D2258-R2260 IonicContact OD1-NE 3.94Å; D2258-R2260 PolarHBondContact OD1-NE 2.72Å; D2258-R2260 IonicContact OD1-NH2 2.62Å; D2258-R2260 IonicContact OD2-CZ 3.72Å; D2258-R2260 VanDerWaalsContact OD2-CZ 3.28Å; D2258-R2260 IonicContact OD2-NE 3.41Å; D2258-R2260 PolarHBondContact OD2-NE 2.99Å; D2258-R2260 IonicContact OD2-NH2 3.88Å; D2258-R2260 PolarHBondContact OD2-NH2 3.42Å | ||
| 2259 | D | 36.3 | Very low | 34 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 63% | 0.631 | 62% | 0.615 | S | S | * | * | trans | -116.1 | 87.1 | 135 | -96.4 | -41.7 | 0 | 0 | 0 | 104.6 | L2257 | L2257-D2259 VanDerWaalsContact C-N 3.29Å; L2257-D2259 VanDerWaalsContact CA-N 3.26Å; L2257-D2259 HydrophobicContact CD2-CB 3.93Å | ||
| 2260 | R | 30.8 | Very low | 33 | Very low | 164 Ų | 164 | 128 Ų | 128 | 62% | 0.619 | 63% | 0.631 | S | S | * | * | 62.2 | 146.9 | 69.4 | -58.4 | 164.5 | 176.2 | 175.4 | 2.4 | 112.7 | D2258 | D2258-R2260 WeakPolarHBondContact O-CD 3.36Å; D2258-R2260 WeakPolarHBondContact O-CG 3.43Å; D2258-R2260 PolarHBondContact O-NE 2.88Å; D2258-R2260 VanDerWaalsContact OD1-CG 3.23Å; D2258-R2260 WeakPolarHBondContact OD1-CG 3.39Å; D2258-R2260 IonicContact OD1-CZ 3.96Å; D2258-R2260 IonicContact OD1-NE 3.94Å; D2258-R2260 PolarHBondContact OD1-NE 2.72Å; D2258-R2260 IonicContact OD1-NH2 2.62Å; D2258-R2260 IonicContact OD2-CZ 3.72Å; D2258-R2260 VanDerWaalsContact OD2-CZ 3.28Å; D2258-R2260 IonicContact OD2-NE 3.41Å; D2258-R2260 PolarHBondContact OD2-NE 2.99Å; D2258-R2260 IonicContact OD2-NH2 3.88Å; D2258-R2260 PolarHBondContact OD2-NH2 3.42Å | |||
| 2261 | N | 31.8 | Very low | 32.6 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 56% | 0.561 | 63% | 0.627 | S | S | * | * | trans | 65.9 | 96.9 | 170.6 | -38.9 | -65.1 | 0 | 0 | 0 | 112.6 | ||||
| 2262 | K | 28.3 | Very low | 32.1 | Very low | 206 Ų | 206 | 124.6 Ų | 124.6 | 90% | 0.896 | 62% | 0.618 | S | S | * | * | -141.6 | 121.5 | 59.6 | -74.6 | 115.1 | -170.6 | 170.3 | 0 | 115.5 | |||||
| 2263 | Q | 27.3 | Very low | 31.3 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 76% | 0.762 | 62% | 0.617 | S | S | * | * | trans | -45.6 | 175 | 140.4 | -107.2 | -173.5 | 15.8 | 0 | 0 | 113.3 | ||||
| 2264 | P | 32.4 | Very low | 30.5 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | cis | -138.5 | 167.9 | -3.6 | 36.2 | -17.7 | 0 | 0 | 0 | 115.7 | ||||
| 2265 | T | 25.1 | Very low | 30.5 | Very low | 114 Ų | 114 | 123 Ų | 123 | 70% | 0.699 | 59% | 0.593 | S | S | * | * | trans | 59.5 | 167.4 | 141.9 | 54.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 2266 | Y | 25.6 | Very low | 30.4 | Very low | 184 Ų | 184 | 124.2 Ų | 124.2 | 72% | 0.722 | 59% | 0.594 | S | S | * | * | cis | -131.7 | 165.9 | 1.2 | -129.8 | -72.9 | 0 | 0 | 0 | 110.5 | Y912 | Y912-Y2266 VanDerWaalsContact CB-O 3.29Å; Y912-Y2266 WeakPolarHBondContact CB-O 3.03Å; Y912-Y2266 WeakPolarHBondContact CD2-O 2.96Å; Y912-Y2266 VanDerWaalsContact CG-C 3.42Å | ||
| 2267 | N | 27.7 | Very low | 30.3 | Very low | 62 Ų | 62 | 120 Ų | 120 | 33% | 0.332 | 58% | 0.584 | S | S | . | * | trans | 93.1 | 140 | -176.8 | -119 | 61.9 | 0 | 0 | 0 | 127.2 | R911 Y912 H913 | R911-N2267 CarbonylContact C-O 3.04Å; R911-N2267 WeakPolarHBondContact CA-O 3.44Å; R911-N2267 WeakPolarHBondContact CB-O 3.22Å; R911-N2267 WeakPolarHBondContact CG-O 3.46Å; Y912-N2267 WeakPolarHBondContact CB-O 3Å; Y912-N2267 HydrophobicContact CD1-CB 2.64Å; Y912-N2267 WeakPolarHBondContact CD1-O 3.17Å; Y912-N2267 HydrophobicContact CD2-CB 3.75Å; Y912-N2267 WeakPolarHBondContact CD2-O 3.36Å; Y912-N2267 HydrophobicContact CE1-CB 2.85Å; Y912-N2267 VanDerWaalsContact CE1-ND2 3.25Å; Y912-N2267 WeakPolarHBondContact CE1-ND2 3.17Å; Y912-N2267 HydrophobicContact CE2-CB 3.94Å; Y912-N2267 WeakPolarHBondContact CE2-O 3.27Å; Y912-N2267 HydrophobicContact CG-CB 3.11Å; Y912-N2267 PolarHBondContact N-O 2.81Å; Y912-N2267 WeakPolarHBondContact OH-CA 3.38Å; H913-N2267 HydrophobicContact CB-CB 3.94Å; H913-N2267 PolarHBondContact CE1-ND2 3.44Å; H913-N2267 PolarHBondContact NE2-ND2 2.85Å; H913-N2267 VanDerWaalsContact NE2-ND2 3.12Å | ||
| 2268 | H | 29.1 | Very low | 29.7 | Very low | 53 Ų | 53 | 116 Ų | 116 | 25% | 0.245 | 57% | 0.565 | C | S | . | * | cis | 56.5 | 102.1 | -20.5 | -58.5 | -55.8 | 0 | 0 | 0 | 123.4 | R910 R911 Y912 F2270 | R910-H2268 PolarHBondContact O-CE1 3.1Å; R911-H2268 PolarHBondContact NE-NE2 2.95Å; R911-H2268 PolarHBondContact NH2-CE1 3.05Å; R911-H2268 PolarHBondContact NH2-NE2 3.06Å; Y912-H2268 HydrophobicContact CE1-CB 4.14Å; Y912-H2268 WeakPolarHBondContact CE1-O 2.94Å; Y912-H2268 HydrophobicContact CE2-CB 4.22Å; Y912-H2268 VanDerWaalsContact CZ-CB 3.47Å; Y912-H2268 WeakPolarHBondContact OH-CA 2.94Å; Y912-H2268 WeakPolarHBondContact OH-CB 3.23Å; Y912-H2268 PolarHBondContact OH-O 2.78Å; H2268-F2270 PolarHBondContact O-N 3.21Å; H2268-F2270 VanDerWaalsContact O-N 3.11Å | ||
| 2269 | Q | 31.7 | Very low | 29.7 | Very low | 140 Ų | 140 | 116.2 Ų | 116.2 | 65% | 0.654 | 57% | 0.57 | S | S | * | * | 37.5 | 78 | 87.6 | -59.3 | 168.8 | -57.3 | 0 | 0 | 110.3 | N2271 | Q2269-N2271 PolarHBondContact O-N 2.83Š| |||
| 2270 | F | 28.3 | Very low | 29.3 | Very low | 197 Ų | 197 | 118.6 Ų | 118.6 | 86% | 0.864 | 58% | 0.575 | S | S | * | * | trans | -75.3 | 72.6 | 175.3 | -166.8 | -90.4 | 0 | 0 | 0 | 108.6 | H2268 | H2268-F2270 PolarHBondContact O-N 3.21Å; H2268-F2270 VanDerWaalsContact O-N 3.11Å | ||
| 2271 | N | 28.2 | Very low | 28.8 | Very low | 111 Ų | 111 | 117 Ų | 117 | 59% | 0.594 | 58% | 0.578 | S | S | * | * | trans | 43.2 | 123.8 | 170.2 | -55.5 | -18.1 | 0 | 0 | 0 | 118.4 | Q2269 L2273 | Q2269-N2271 PolarHBondContact O-N 2.83Å; N2271-L2273 HydrophobicContact CB-CB 4.26Å; N2271-L2273 PolarHBondContact O-N 3.16Å | ||
| 2272 | E | 31.1 | Very low | 28.5 | Very low | 107 Ų | 107 | 118.7 Ų | 118.7 | 50% | 0.5 | 58% | 0.582 | S | S | . | * | trans | -56.8 | 121.6 | 140.3 | -68.9 | -179.6 | 130.8 | 0 | 0 | 108.2 | ||||
| 2273 | L | 34.4 | Very low | 28.6 | Very low | 81 Ų | 81 | 113.2 Ų | 113.2 | 42% | 0.424 | 56% | 0.563 | S | S | . | * | trans | -158.6 | 81.8 | 173.9 | -135.9 | 174.7 | 0 | 0 | 0 | 112.5 | N1441 N2271 | N1441-L2273 WeakPolarHBondContact OD1-CD1 2.98Å; N2271-L2273 HydrophobicContact CB-CB 4.26Å; N2271-L2273 PolarHBondContact O-N 3.16Å | ||
| 2274 | K | 29.1 | Very low | 28.9 | Very low | 133 Ų | 133 | 112 Ų | 112 | 58% | 0.578 | 56% | 0.561 | S | S | * | * | trans | 143.7 | 145.3 | 148.7 | -77.2 | 168.1 | -173.9 | -164.8 | 0 | 109.8 | N1431 | N1431-K2274 WeakPolarHBondContact OD1-CD 3.44Å; N1431-K2274 WeakPolarHBondContact OD1-CE 3.2Å; N1431-K2274 PolarHBondContact OD1-NZ 2.84Å | ||
| 2275 | I | 28.6 | Very low | 29.1 | Very low | 79 Ų | 79 | 114.5 Ų | 114.5 | 41% | 0.405 | 57% | 0.57 | S | S | . | * | cis | -151.8 | 148.4 | -10.1 | -116 | 166.7 | 0 | 0 | 0 | 108.5 | N1431 L1434 | N1431-I2275 WeakPolarHBondContact OD1-CD1 3.43Å; L1434-I2275 HydrophobicContact CD2-CB 4.43Å; L1434-I2275 HydrophobicContact CD2-CD1 3.5Å; L1434-I2275 VanDerWaalsContact CD2-CD1 3.5Å; L1434-I2275 HydrophobicContact CD2-CG1 3.4Å; L1434-I2275 VanDerWaalsContact CD2-CG1 3.4Å; L1434-I2275 HydrophobicContact CD2-CG2 4.25Å | ||
| 2276 | D | 29.7 | Very low | 29.8 | Very low | 99 Ų | 99 | 112.8 Ų | 112.8 | 53% | 0.529 | 56% | 0.563 | S | S | . | * | trans | -118.5 | 157.5 | 163.7 | -160.2 | -5.5 | 0 | 0 | 0 | 108.7 | ||||
| 2277 | N | 30.5 | Very low | 30.6 | Very low | 78 Ų | 78 | 108.8 Ų | 108.8 | 42% | 0.417 | 55% | 0.554 | S | S | . | * | trans | 61.6 | 83.5 | -167.8 | -53.2 | -80.1 | 0 | 0 | 0 | 114.9 | L1434 | L1434-N2277 HydrophobicContact CD1-CB 4.09Š| ||
| 2278 | V | 29.5 | Very low | 31.1 | Very low | 61 Ų | 61 | 109.8 Ų | 109.8 | 37% | 0.37 | 57% | 0.566 | S | S | . | * | -120.1 | 150 | 114.9 | 98.5 | 0 | 0 | 0 | 0 | 111.6 | L1430 L1433 | L1430-V2278 HydrophobicContact CD1-CB 4.38Å; L1430-V2278 HydrophobicContact CD1-CG1 3.86Å; L1430-V2278 HydrophobicContact CD2-CB 3.82Å; L1430-V2278 HydrophobicContact CD2-CG1 3.73Å; L1430-V2278 HydrophobicContact CD2-CG2 3.49Å; L1430-V2278 VanDerWaalsContact CD2-CG2 3.49Å; L1430-V2278 HydrophobicContact CG-CG1 4.41Å; L1433-V2278 HydrophobicContact CD2-CG2 4.39Å | |||
| 2279 | T | 28.2 | Very low | 31.7 | Very low | 99 Ų | 99 | 112.7 Ų | 112.7 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | trans | -19.7 | 123.3 | 167.9 | 48.2 | 0 | 0 | 0 | 0 | 116.2 | L2281 | T2279-L2281 WeakPolarHBondContact CB-O 3.34Š| ||
| 2280 | K | 26.8 | Very low | 32.3 | Very low | 167 Ų | 167 | 111.8 Ų | 111.8 | 73% | 0.726 | 58% | 0.582 | S | S | * | * | cis | 55.7 | 100.6 | 9.9 | -172.3 | -172 | -170.2 | 177.1 | 0 | 111.9 | ||||
| 2281 | L | 22.1 | Very low | 32.8 | Very low | 130 Ų | 130 | 107.2 Ų | 107.2 | 68% | 0.681 | 57% | 0.566 | S | S | * | * | trans | 73.6 | 140 | -163.4 | -41.4 | 174.7 | 0 | 0 | 0 | 111.1 | T2279 | T2279-L2281 WeakPolarHBondContact CB-O 3.34Š| ||
| 2282 | H | 25.3 | Very low | 33.5 | Very low | 142 Ų | 142 | 106.6 Ų | 106.6 | 66% | 0.657 | 56% | 0.559 | S | S | * | * | cis | -160.8 | -176.2 | -9.2 | -124.5 | -0.2 | 0 | 0 | 0 | 110.9 | ||||
| 2283 | D | 30.7 | Very low | 34.4 | Very low | 90 Ų | 90 | 103.6 Ų | 103.6 | 48% | 0.481 | 55% | 0.553 | S | S | . | * | trans | 37.5 | 115.8 | 145 | -49.7 | -25.4 | 0 | 0 | 0 | 119 | ||||
| 2284 | N | 31.9 | Very low | 35.2 | Very low | 138 Ų | 138 | 104.6 Ų | 104.6 | 74% | 0.738 | 56% | 0.558 | S | S | * | * | -163.4 | 100.3 | 100.9 | -97.8 | -56.8 | 0 | 0 | 0 | 112.3 | S2286 | N2284-S2286 VanDerWaalsContact C-N 3.31Å; N2284-S2286 PolarHBondContact O-N 3.09Å | |||
| 2285 | N | 38.2 | Very low | 36.8 | Very low | 139 Ų | 139 | 102.5 Ų | 102.5 | 74% | 0.743 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 42.1 | 41.3 | 143.2 | -64.1 | -14.5 | 0 | 0 | 0 | 119.5 | ||
| 2286 | S | 40.1 | Very low | 37.8 | Very low | 78 Ų | 78 | 102.8 Ų | 102.8 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | trans | -145 | 46.5 | 141.6 | -80 | 0 | 0 | 0 | 0 | 109.6 | N2284 S2288 N2289 | N2284-S2286 VanDerWaalsContact C-N 3.31Å; N2284-S2286 PolarHBondContact O-N 3.09Å; S2286-S2288 PolarHBondContact O-N 2.94Å; S2286-N2289 PolarHBondContact O-N 3Å | ||
| 2287 | N | 41.1 | Very low | 39.2 | Very low | 100 Ų | 100 | 102.2 Ų | 102.2 | 54% | 0.535 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.8 | 6 | -165.1 | -76.9 | -1.6 | 0 | 0 | 0 | 116.4 | ||
| 2288 | S | 39.2 | Very low | 40.9 | Very low | 83 Ų | 83 | 104.3 Ų | 104.3 | 58% | 0.58 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -36.9 | 163.7 | -166 | 0 | 0 | 0 | 0 | 112.5 | S2286 Q2292 | S2286-S2288 PolarHBondContact O-N 2.94Å; S2288-Q2292 WeakPolarHBondContact O-CB 3.13Å; S2288-Q2292 PolarHBondContact O-N 2.94Å |
| 2289 | N | 41.9 | Very low | 42.1 | Very low | 115 Ų | 115 | 104.6 Ų | 104.6 | 62% | 0.615 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -88.2 | -36.8 | -164.8 | -65 | -1 | 0 | 0 | 0 | 112.5 | S2286 L2291 Q2292 A2293 | S2286-N2289 PolarHBondContact O-N 3Å; N2289-L2291 VanDerWaalsContact C-N 3.3Å; N2289-Q2292 PolarHBondContact O-N 3.33Å; N2289-A2293 WeakPolarHBondContact O-CB 3.31Å; N2289-A2293 PolarHBondContact O-N 3.34Å |
| 2290 | L | 44.3 | Very low | 43.2 | Very low | 120 Ų | 120 | 102.8 Ų | 102.8 | 63% | 0.628 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.3 | -33.1 | 168.8 | -176.5 | 61.5 | 0 | 0 | 0 | 111.1 | L2294 | L2290-L2294 HydrophobicContact CG-CD1 4.45Å; L2290-L2294 WeakPolarHBondContact O-CB 3.3Å; L2290-L2294 WeakPolarHBondContact O-CG 3.36Å; L2290-L2294 PolarHBondContact O-N 2.99Å |
| 2291 | L | 37.9 | Very low | 44.6 | Very low | 102 Ų | 102 | 100.2 Ų | 100.2 | 53% | 0.534 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.8 | -42.3 | 173 | -170.6 | 68.5 | 0 | 0 | 0 | 110.9 | N2289 L2294 M2295 | N2289-L2291 VanDerWaalsContact C-N 3.3Å; L2291-L2294 PolarHBondContact O-N 2.73Å; L2291-M2295 WeakPolarHBondContact O-CG 3.49Å; L2291-M2295 PolarHBondContact O-N 2.76Å |
| 2292 | Q | 43.9 | Very low | 46.5 | Very low | 97 Ų | 97 | 97.2 Ų | 97.2 | 45% | 0.453 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 174.1 | -169.6 | 59.8 | 47.3 | 0 | 0 | 111.5 | S2288 N2289 L2294 M2295 D2296 | S2288-Q2292 WeakPolarHBondContact O-CB 3.13Å; S2288-Q2292 PolarHBondContact O-N 2.94Å; N2289-Q2292 PolarHBondContact O-N 3.33Å; Q2292-L2294 PolarHBondContact O-N 3.3Å; Q2292-M2295 CarbonylContact O-C 3.37Å; Q2292-M2295 WeakPolarHBondContact O-CA 3.26Å; Q2292-M2295 WeakPolarHBondContact O-CB 3.32Å; Q2292-M2295 PolarHBondContact O-N 3.22Å; Q2292-D2296 PolarHBondContact NE2-OD1 3.09Å; Q2292-D2296 PolarHBondContact O-N 3.21Å |
| 2293 | A | 48.1 | Very low | 48 | Very low | 44 Ų | 44 | 92.9 Ų | 92.9 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60 | -33.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | N2289 D2296 T2297 | N2289-A2293 WeakPolarHBondContact O-CB 3.31Å; N2289-A2293 PolarHBondContact O-N 3.34Å; A2293-D2296 PolarHBondContact O-N 3.48Å; A2293-T2297 WeakPolarHBondContact O-CB 3.16Å; A2293-T2297 WeakPolarHBondContact O-CG2 3.25Å; A2293-T2297 PolarHBondContact O-N 3.05Å; A2293-T2297 PolarHBondContact O-OG1 2.8Å |
| 2294 | L | 52.6 | Low | 49.1 | Very low | 103 Ų | 103 | 89.8 Ų | 89.8 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.8 | -35.1 | 169.6 | -82.8 | 166.1 | 0 | 0 | 0 | 112.8 | L2290 L2291 Q2292 T2297 K2298 | L2290-L2294 HydrophobicContact CG-CD1 4.45Å; L2290-L2294 WeakPolarHBondContact O-CB 3.3Å; L2290-L2294 WeakPolarHBondContact O-CG 3.36Å; L2290-L2294 PolarHBondContact O-N 2.99Å; L2291-L2294 PolarHBondContact O-N 2.73Å; Q2292-L2294 PolarHBondContact O-N 3.3Å; L2294-T2297 WeakPolarHBondContact CA-OG1 3.28Å; L2294-T2297 PolarHBondContact O-OG1 3.25Å; L2294-K2298 WeakPolarHBondContact O-CB 2.99Å; L2294-K2298 PolarHBondContact O-N 3.11Å |
| 2295 | M | 61.5 | Low | 50.3 | Low | 89 Ų | 89 | 88.4 Ų | 88.4 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -34.4 | 170.6 | -69.3 | -63.4 | -172 | 0 | 0 | 112.2 | L2291 Q2292 K2298 S2299 | L2291-M2295 WeakPolarHBondContact O-CG 3.49Å; L2291-M2295 PolarHBondContact O-N 2.76Å; Q2292-M2295 CarbonylContact O-C 3.37Å; Q2292-M2295 WeakPolarHBondContact O-CA 3.26Å; Q2292-M2295 WeakPolarHBondContact O-CB 3.32Å; Q2292-M2295 PolarHBondContact O-N 3.22Å; M2295-K2298 HydrophobicContact SD-CD 4.47Å; M2295-S2299 WeakPolarHBondContact O-CB 3.46Å; M2295-S2299 PolarHBondContact O-N 2.96Å; M2295-S2299 PolarHBondContact O-OG 2.71Å |
| 2296 | D | 49.4 | Very low | 51.5 | Low | 84 Ų | 84 | 89.9 Ų | 89.9 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -77.2 | -45.6 | -177.5 | -62 | -24.5 | 0 | 0 | 0 | 111 | Q2292 A2293 K2298 S2299 A2300 | Q2292-D2296 PolarHBondContact NE2-OD1 3.09Å; Q2292-D2296 PolarHBondContact O-N 3.21Å; A2293-D2296 PolarHBondContact O-N 3.48Å; D2296-K2298 VanDerWaalsContact C-N 3.33Å; D2296-K2298 PolarHBondContact O-N 3.2Å; D2296-S2299 CarbonylContact O-C 3.29Å; D2296-S2299 PolarHBondContact O-N 2.78Å; D2296-S2299 VanDerWaalsContact O-N 3.12Å; D2296-A2300 WeakPolarHBondContact O-CB 3.36Å; D2296-A2300 PolarHBondContact O-N 3.48Å |
| 2297 | T | 60.5 | Low | 52.2 | Low | 87 Ų | 87 | 91.8 Ų | 91.8 | 53% | 0.534 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64 | -38.3 | 171.3 | 50.5 | 0 | 0 | 0 | 0 | 111.7 | A2293 L2294 S2299 A2300 L2301 | A2293-T2297 WeakPolarHBondContact O-CB 3.16Å; A2293-T2297 WeakPolarHBondContact O-CG2 3.25Å; A2293-T2297 PolarHBondContact O-N 3.05Å; A2293-T2297 PolarHBondContact O-OG1 2.8Å; L2294-T2297 WeakPolarHBondContact CA-OG1 3.28Å; L2294-T2297 PolarHBondContact O-OG1 3.25Å; T2297-S2299 VanDerWaalsContact C-N 3.34Å; T2297-A2300 PolarHBondContact O-N 2.81Å; T2297-L2301 WeakPolarHBondContact O-CB 3.38Å; T2297-L2301 PolarHBondContact O-N 3.22Å |
| 2298 | K | 64.8 | Low | 53.1 | Low | 122 Ų | 122 | 87.8 Ų | 87.8 | 53% | 0.53 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.5 | -36.3 | 170.1 | -178.7 | 178.6 | -179.6 | -178.7 | 0 | 112.2 | L2294 M2295 D2296 L2301 I2302 | L2294-K2298 WeakPolarHBondContact O-CB 2.99Å; L2294-K2298 PolarHBondContact O-N 3.11Å; M2295-K2298 HydrophobicContact SD-CD 4.47Å; D2296-K2298 VanDerWaalsContact C-N 3.33Å; D2296-K2298 PolarHBondContact O-N 3.2Å; K2298-L2301 PolarHBondContact O-N 2.99Å; K2298-I2302 HydrophobicContact CG-CD1 3.99Å; K2298-I2302 WeakPolarHBondContact O-CB 3.26Å; K2298-I2302 WeakPolarHBondContact O-CD1 3.47Å; K2298-I2302 WeakPolarHBondContact O-CG1 3.4Å; K2298-I2302 PolarHBondContact O-N 3.38Å |
| 2299 | S | 55.5 | Low | 54.3 | Low | 68 Ų | 68 | 88.9 Ų | 88.9 | 48% | 0.476 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.5 | -38.6 | 176.5 | -65.3 | 0 | 0 | 0 | 0 | 112 | M2295 D2296 T2297 I2302 A2303 | M2295-S2299 WeakPolarHBondContact O-CB 3.46Å; M2295-S2299 PolarHBondContact O-N 2.96Å; M2295-S2299 PolarHBondContact O-OG 2.71Å; D2296-S2299 CarbonylContact O-C 3.29Å; D2296-S2299 PolarHBondContact O-N 2.78Å; D2296-S2299 VanDerWaalsContact O-N 3.12Å; T2297-S2299 VanDerWaalsContact C-N 3.34Å; S2299-I2302 CarbonylContact O-C 3.45Å; S2299-I2302 PolarHBondContact O-N 3.24Å; S2299-A2303 WeakPolarHBondContact O-CB 3.21Å; S2299-A2303 PolarHBondContact O-N 2.75Å |
| 2300 | A | 50.8 | Low | 55.3 | Low | 61 Ų | 61 | 91.2 Ų | 91.2 | 50% | 0.504 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D2296 T2297 A2303 A2304 | D2296-A2300 WeakPolarHBondContact O-CB 3.36Å; D2296-A2300 PolarHBondContact O-N 3.48Å; T2297-A2300 PolarHBondContact O-N 2.81Å; A2300-A2303 WeakPolarHBondContact O-CB 3.42Å; A2300-A2303 PolarHBondContact O-N 3.19Å; A2300-A2304 PolarHBondContact O-N 2.84Å |
| 2301 | L | 57.5 | Low | 56.3 | Low | 113 Ų | 113 | 89.5 Ų | 89.5 | 59% | 0.592 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.1 | -40.3 | 172.5 | -161.3 | 78.3 | 0 | 0 | 0 | 111.3 | T2297 K2298 A2303 A2304 Q2305 | T2297-L2301 WeakPolarHBondContact O-CB 3.38Å; T2297-L2301 PolarHBondContact O-N 3.22Å; K2298-L2301 PolarHBondContact O-N 2.99Å; L2301-A2303 VanDerWaalsContact C-N 3.31Å; L2301-A2303 PolarHBondContact O-N 2.87Å; L2301-A2304 PolarHBondContact O-N 2.62Å; L2301-Q2305 WeakPolarHBondContact O-CB 3.35Å; L2301-Q2305 PolarHBondContact O-N 2.85Å |
| 2302 | I | 61.1 | Low | 57.6 | Low | 67 Ų | 67 | 87.1 Ų | 87.1 | 34% | 0.344 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 172.3 | -74.4 | 164.3 | 0 | 0 | 0 | 111 | K2298 S2299 R2306 | K2298-I2302 HydrophobicContact CG-CD1 3.99Å; K2298-I2302 WeakPolarHBondContact O-CB 3.26Å; K2298-I2302 WeakPolarHBondContact O-CD1 3.47Å; K2298-I2302 WeakPolarHBondContact O-CG1 3.4Å; K2298-I2302 PolarHBondContact O-N 3.38Å; S2299-I2302 CarbonylContact O-C 3.45Å; S2299-I2302 PolarHBondContact O-N 3.24Å; I2302-R2306 HydrophobicContact CG2-CG 4.43Å; I2302-R2306 VanDerWaalsContact O-CB 3.26Å; I2302-R2306 WeakPolarHBondContact O-CB 3.08Å; I2302-R2306 WeakPolarHBondContact O-CD 3.47Å; I2302-R2306 WeakPolarHBondContact O-CG 3.12Å; I2302-R2306 PolarHBondContact O-N 3.38Å |
| 2303 | A | 57.8 | Low | 58.6 | Low | 51 Ų | 51 | 90.7 Ų | 90.7 | 42% | 0.421 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.7 | -50.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | S2299 A2300 L2301 Q2305 R2306 E2307 | S2299-A2303 WeakPolarHBondContact O-CB 3.21Å; S2299-A2303 PolarHBondContact O-N 2.75Å; A2300-A2303 WeakPolarHBondContact O-CB 3.42Å; A2300-A2303 PolarHBondContact O-N 3.19Å; L2301-A2303 VanDerWaalsContact C-N 3.31Å; L2301-A2303 PolarHBondContact O-N 2.87Å; A2303-Q2305 VanDerWaalsContact C-N 3.3Å; A2303-Q2305 PolarHBondContact O-N 2.8Å; A2303-R2306 CarbonylContact O-C 3.58Å; A2303-R2306 WeakPolarHBondContact O-CA 3.43Å; A2303-R2306 WeakPolarHBondContact O-CB 3.1Å; A2303-R2306 PolarHBondContact O-N 3.31Å; A2303-R2306 VanDerWaalsContact O-N 3.12Å; A2303-E2307 PolarHBondContact O-N 3.37Å |
| 2304 | A | 53.5 | Low | 59.2 | Low | 25 Ų | 25 | 95.2 Ų | 95.2 | 21% | 0.207 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -61.9 | -36.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A2300 L2301 E2307 S2308 | A2300-A2304 PolarHBondContact O-N 2.84Å; L2301-A2304 PolarHBondContact O-N 2.62Å; A2304-E2307 PolarHBondContact O-N 3.01Å; A2304-S2308 PolarHBondContact O-N 3.01Å |
| 2305 | Q | 57.3 | Low | 59.8 | Low | 109 Ų | 109 | 93.5 Ų | 93.5 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72.6 | -33.1 | 174.6 | -158.8 | -168 | 57.9 | 0 | 0 | 112 | L2301 A2303 E2307 K2309 | L2301-Q2305 WeakPolarHBondContact O-CB 3.35Å; L2301-Q2305 PolarHBondContact O-N 2.85Å; A2303-Q2305 VanDerWaalsContact C-N 3.3Å; A2303-Q2305 PolarHBondContact O-N 2.8Å; Q2305-E2307 VanDerWaalsContact C-N 3.28Å; Q2305-K2309 VanDerWaalsContact O-CB 3.23Å; Q2305-K2309 WeakPolarHBondContact O-CB 3.23Å; Q2305-K2309 WeakPolarHBondContact O-CD 3.36Å; Q2305-K2309 WeakPolarHBondContact O-CG 3.08Å; Q2305-K2309 PolarHBondContact O-N 3.17Å |
| 2306 | R | 63.7 | Low | 59.8 | Low | 169 Ų | 169 | 91.5 Ų | 91.5 | 64% | 0.638 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.6 | -34.9 | 167.6 | -79.3 | 164.7 | 175.6 | 179.6 | -1.9 | 111 | I2302 A2303 K2309 R2310 | I2302-R2306 HydrophobicContact CG2-CG 4.43Å; I2302-R2306 VanDerWaalsContact O-CB 3.26Å; I2302-R2306 WeakPolarHBondContact O-CB 3.08Å; I2302-R2306 WeakPolarHBondContact O-CD 3.47Å; I2302-R2306 WeakPolarHBondContact O-CG 3.12Å; I2302-R2306 PolarHBondContact O-N 3.38Å; A2303-R2306 CarbonylContact O-C 3.58Å; A2303-R2306 WeakPolarHBondContact O-CA 3.43Å; A2303-R2306 WeakPolarHBondContact O-CB 3.1Å; A2303-R2306 PolarHBondContact O-N 3.31Å; A2303-R2306 VanDerWaalsContact O-N 3.12Å; R2306-K2309 CarbonylContact O-C 3.44Å; R2306-K2309 PolarHBondContact O-N 3.19Å; R2306-R2310 WeakPolarHBondContact O-CG 3.5Å; R2306-R2310 PolarHBondContact O-N 3.46Å |
| 2307 | E | 54.5 | Low | 60.8 | Low | 118 Ų | 118 | 95.2 Ų | 95.2 | 55% | 0.551 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -77.6 | -42.9 | -179.9 | -166.5 | 141.7 | -100.1 | 0 | 0 | 113.1 | A2303 A2304 Q2305 K2309 R2310 L2311 | A2303-E2307 PolarHBondContact O-N 3.37Å; A2304-E2307 PolarHBondContact O-N 3.01Å; Q2305-E2307 VanDerWaalsContact C-N 3.28Å; E2307-K2309 PolarHBondContact O-N 2.78Å; E2307-R2310 CarbonylContact O-C 3.27Å; E2307-R2310 WeakPolarHBondContact O-CA 3.41Å; E2307-R2310 WeakPolarHBondContact O-CB 3.4Å; E2307-R2310 PolarHBondContact O-N 3.08Å; E2307-R2310 IonicContact OE1-NH1 3.49Å; E2307-L2311 PolarHBondContact O-N 2.81Å |
| 2308 | S | 59 | Low | 61 | Low | 16 Ų | 16 | 96.1 Ų | 96.1 | 11% | 0.112 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -56.8 | -41.2 | 165.6 | 175.8 | 0 | 0 | 0 | 0 | 110.9 | A2304 L2311 K2312 | A2304-S2308 PolarHBondContact O-N 3.01Å; S2308-L2311 PolarHBondContact O-N 3.39Å; S2308-K2312 WeakPolarHBondContact O-CB 3.43Å; S2308-K2312 PolarHBondContact O-N 3.35Å |
| 2309 | K | 64.2 | Low | 61.1 | Low | 106 Ų | 106 | 93.7 Ų | 93.7 | 46% | 0.461 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.8 | -35.2 | 171.4 | -75.3 | 166.3 | 179.3 | 168.4 | 0 | 112.9 | Q2305 R2306 E2307 R2313 | Q2305-K2309 VanDerWaalsContact O-CB 3.23Å; Q2305-K2309 WeakPolarHBondContact O-CB 3.23Å; Q2305-K2309 WeakPolarHBondContact O-CD 3.36Å; Q2305-K2309 WeakPolarHBondContact O-CG 3.08Å; Q2305-K2309 PolarHBondContact O-N 3.17Å; R2306-K2309 CarbonylContact O-C 3.44Å; R2306-K2309 PolarHBondContact O-N 3.19Å; E2307-K2309 PolarHBondContact O-N 2.78Å; K2309-R2313 WeakPolarHBondContact O-CB 3.39Å; K2309-R2313 WeakPolarHBondContact O-CD 3.38Å; K2309-R2313 WeakPolarHBondContact O-CG 3.4Å; K2309-R2313 PolarHBondContact O-N 3.49Å |
| 2310 | R | 64.3 | Low | 61.7 | Low | 164 Ų | 164 | 91.7 Ų | 91.7 | 62% | 0.619 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 172.2 | -78.9 | 169.9 | 168 | 178.5 | -6.3 | 111.5 | R2306 E2307 R2313 R2314 | R2306-R2310 WeakPolarHBondContact O-CG 3.5Å; R2306-R2310 PolarHBondContact O-N 3.46Å; E2307-R2310 CarbonylContact O-C 3.27Å; E2307-R2310 WeakPolarHBondContact O-CA 3.41Å; E2307-R2310 WeakPolarHBondContact O-CB 3.4Å; E2307-R2310 PolarHBondContact O-N 3.08Å; E2307-R2310 IonicContact OE1-NH1 3.49Å; R2310-R2313 CarbonylContact O-C 3.34Å; R2310-R2313 PolarHBondContact O-N 2.66Å; R2310-R2314 PolarHBondContact O-N 3.01Å; R2310-R2314 VanDerWaalsContact O-N 3.07Å |
| 2311 | L | 65.4 | Low | 62.5 | Low | 85 Ų | 85 | 93.2 Ų | 93.2 | 45% | 0.445 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.8 | -45.6 | 178.5 | -174.5 | 62.7 | 0 | 0 | 0 | 111.6 | E2307 S2308 R2313 R2314 T2315 | E2307-L2311 PolarHBondContact O-N 2.81Å; S2308-L2311 PolarHBondContact O-N 3.39Å; L2311-R2313 VanDerWaalsContact C-N 3.29Å; L2311-R2313 PolarHBondContact O-N 3.2Å; L2311-R2314 WeakPolarHBondContact O-CA 3.16Å; L2311-R2314 VanDerWaalsContact O-CB 3.27Å; L2311-R2314 WeakPolarHBondContact O-CB 3.37Å; L2311-R2314 PolarHBondContact O-N 2.67Å; L2311-T2315 PolarHBondContact O-N 3.42Å; L2311-T2315 PolarHBondContact O-OG1 3.48Å |
| 2312 | K | 63.7 | Low | 63 | Low | 51 Ų | 51 | 94.1 Ų | 94.1 | 22% | 0.222 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -60.9 | -35.6 | 170.3 | -77.1 | -177.2 | 167.4 | -178.2 | 0 | 112 | V2036 D2040 S2308 R2314 A2316 | V2036-K2312 PolarHBondContact O-NZ 3.21Å; D2040-K2312 WeakPolarHBondContact OD1-CE 3.46Å; D2040-K2312 IonicContact OD1-NZ 2.64Å; D2040-K2312 PolarHBondContact OD1-NZ 2.79Å; D2040-K2312 IonicContact OD2-NZ 2.81Å; D2040-K2312 PolarHBondContact OD2-NZ 3.48Å; S2308-K2312 WeakPolarHBondContact O-CB 3.43Å; S2308-K2312 PolarHBondContact O-N 3.35Å; K2312-R2314 PolarHBondContact O-N 3.05Å; K2312-A2316 WeakPolarHBondContact O-CA 3.48Å; K2312-A2316 WeakPolarHBondContact O-CB 3.03Å; K2312-A2316 PolarHBondContact O-N 2.85Å |
| 2313 | R | 65 | Low | 63 | Low | 172 Ų | 172 | 94.2 Ų | 94.2 | 65% | 0.649 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -72.5 | -4.6 | 168.9 | -75.7 | 171.5 | 171.9 | -169.7 | -4.9 | 114.1 | K2309 R2310 L2311 R2317 | K2309-R2313 WeakPolarHBondContact O-CB 3.39Å; K2309-R2313 WeakPolarHBondContact O-CD 3.38Å; K2309-R2313 WeakPolarHBondContact O-CG 3.4Å; K2309-R2313 PolarHBondContact O-N 3.49Å; R2310-R2313 CarbonylContact O-C 3.34Å; R2310-R2313 PolarHBondContact O-N 2.66Å; L2311-R2313 VanDerWaalsContact C-N 3.29Å; L2311-R2313 PolarHBondContact O-N 3.2Å; R2313-R2317 WeakPolarHBondContact O-CG 3.47Å; R2313-R2317 PolarHBondContact O-NE 2.76Å; R2313-R2317 PolarHBondContact O-NH2 2.68Å |
| 2314 | R | 61.9 | Low | 63.6 | Low | 140 Ų | 140 | 97 Ų | 97 | 53% | 0.528 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -96.1 | -54 | 173.2 | -156.9 | -173.4 | -61.3 | 178.7 | -0.8 | 109.5 | R2310 L2311 K2312 A2316 R2317 E2318 | R2310-R2314 PolarHBondContact O-N 3.01Å; R2310-R2314 VanDerWaalsContact O-N 3.07Å; L2311-R2314 WeakPolarHBondContact O-CA 3.16Å; L2311-R2314 VanDerWaalsContact O-CB 3.27Å; L2311-R2314 WeakPolarHBondContact O-CB 3.37Å; L2311-R2314 PolarHBondContact O-N 2.67Å; K2312-R2314 PolarHBondContact O-N 3.05Å; R2314-A2316 PolarHBondContact O-N 3.21Å; R2314-R2317 CarbonylContact O-C 3.59Å; R2314-R2317 WeakPolarHBondContact O-CA 3.16Å; R2314-R2317 WeakPolarHBondContact O-CB 3.24Å; R2314-R2317 PolarHBondContact O-N 2.66Å; R2314-E2318 PolarHBondContact O-N 2.86Å |
| 2315 | T | 63.8 | Low | 64.3 | Low | 66 Ų | 66 | 97.2 Ų | 97.2 | 41% | 0.405 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.3 | -31.8 | 174.4 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | L2311 R2317 E2318 V2319 | L2311-T2315 PolarHBondContact O-N 3.42Å; L2311-T2315 PolarHBondContact O-OG1 3.48Å; T2315-R2317 VanDerWaalsContact C-N 3.28Å; T2315-R2317 PolarHBondContact O-N 2.96Å; T2315-E2318 PolarHBondContact O-N 3.29Å; T2315-V2319 WeakPolarHBondContact O-CB 3.26Å; T2315-V2319 VanDerWaalsContact O-CG2 3.3Å; T2315-V2319 WeakPolarHBondContact O-CG2 3.37Å; T2315-V2319 PolarHBondContact O-N 2.74Å |
| 2316 | A | 63 | Low | 64.9 | Low | 47 Ų | 47 | 92.3 Ų | 92.3 | 39% | 0.388 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -74.1 | -15.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K2312 R2314 A2320 | K2312-A2316 WeakPolarHBondContact O-CA 3.48Å; K2312-A2316 WeakPolarHBondContact O-CB 3.03Å; K2312-A2316 PolarHBondContact O-N 2.85Å; R2314-A2316 PolarHBondContact O-N 3.21Å; A2316-A2320 WeakPolarHBondContact O-CB 3.45Å; A2316-A2320 PolarHBondContact O-N 2.71Å |
| 2317 | R | 69 | Low | 65.1 | Low | 162 Ų | 162 | 85 Ų | 85 | 61% | 0.611 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -80.8 | -39.7 | 166 | -92.5 | -176.5 | -65.9 | 148.6 | 2.1 | 111.4 | R2313 R2314 T2315 A2320 E2321 | R2313-R2317 WeakPolarHBondContact O-CG 3.47Å; R2313-R2317 PolarHBondContact O-NE 2.76Å; R2313-R2317 PolarHBondContact O-NH2 2.68Å; R2314-R2317 CarbonylContact O-C 3.59Å; R2314-R2317 WeakPolarHBondContact O-CA 3.16Å; R2314-R2317 WeakPolarHBondContact O-CB 3.24Å; R2314-R2317 PolarHBondContact O-N 2.66Å; T2315-R2317 VanDerWaalsContact C-N 3.28Å; T2315-R2317 PolarHBondContact O-N 2.96Å; R2317-A2320 CarbonylContact O-C 2.75Å; R2317-A2320 PolarHBondContact O-N 3.15Å; R2317-E2321 VanDerWaalsContact O-CB 3.32Å; R2317-E2321 WeakPolarHBondContact O-CB 3.1Å; R2317-E2321 PolarHBondContact O-N 3.24Å |
| 2318 | E | 65.8 | Low | 65.8 | Low | 106 Ų | 106 | 79.7 Ų | 79.7 | 50% | 0.495 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 174.1 | -68.6 | 151.6 | -157.3 | 0 | 0 | 111.5 | R2314 T2315 E2321 L2322 | R2314-E2318 PolarHBondContact O-N 2.86Å; T2315-E2318 PolarHBondContact O-N 3.29Å; E2318-E2321 PolarHBondContact O-N 3.24Å; E2318-L2322 WeakPolarHBondContact O-CB 3.27Å; E2318-L2322 WeakPolarHBondContact O-CG 3.47Å; E2318-L2322 PolarHBondContact O-N 2.69Å |
| 2319 | V | 66.8 | Low | 65.9 | Low | 71 Ų | 71 | 81.9 Ų | 81.9 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -70.6 | -41.8 | 170.9 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | T2315 E2321 L2322 E2323 | T2315-V2319 WeakPolarHBondContact O-CB 3.26Å; T2315-V2319 VanDerWaalsContact O-CG2 3.3Å; T2315-V2319 WeakPolarHBondContact O-CG2 3.37Å; T2315-V2319 PolarHBondContact O-N 2.74Å; V2319-E2321 PolarHBondContact O-N 2.61Å; V2319-L2322 CarbonylContact O-C 3.39Å; V2319-L2322 WeakPolarHBondContact O-CA 3.09Å; V2319-L2322 PolarHBondContact O-N 3.39Å; V2319-L2322 VanDerWaalsContact O-N 3.12Å; V2319-E2323 HydrophobicContact CG1-CG 4.17Å; V2319-E2323 VanDerWaalsContact O-CB 3.25Å; V2319-E2323 WeakPolarHBondContact O-CB 3.4Å; V2319-E2323 VanDerWaalsContact O-CG 3.3Å; V2319-E2323 WeakPolarHBondContact O-CG 3.46Å; V2319-E2323 PolarHBondContact O-N 3.04Å |
| 2320 | A | 66.8 | Low | 66.1 | Low | 26 Ų | 26 | 78.1 Ų | 78.1 | 22% | 0.215 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.1 | -29.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1460 A2316 R2317 E2323 R2324 | L1460-A2320 HydrophobicContact CD1-CB 3.67Å; A2316-A2320 WeakPolarHBondContact O-CB 3.45Å; A2316-A2320 PolarHBondContact O-N 2.71Å; R2317-A2320 CarbonylContact O-C 2.75Å; R2317-A2320 PolarHBondContact O-N 3.15Å; A2320-E2323 CarbonylContact O-C 3.52Å; A2320-E2323 WeakPolarHBondContact O-CA 3.31Å; A2320-E2323 PolarHBondContact O-N 2.78Å; A2320-R2324 WeakPolarHBondContact O-CB 3.22Å; A2320-R2324 PolarHBondContact O-N 3.02Å |
| 2321 | E | 67.7 | Low | 66.4 | Low | 93 Ų | 93 | 70.3 Ų | 70.3 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -77.7 | -35.1 | 174.2 | -160.8 | 63.9 | -149.3 | 0 | 0 | 110.8 | R2317 E2318 V2319 E2323 R2324 V2325 | R2317-E2321 VanDerWaalsContact O-CB 3.32Å; R2317-E2321 WeakPolarHBondContact O-CB 3.1Å; R2317-E2321 PolarHBondContact O-N 3.24Å; E2318-E2321 PolarHBondContact O-N 3.24Å; V2319-E2321 PolarHBondContact O-N 2.61Å; E2321-E2323 PolarHBondContact O-N 3.04Å; E2321-R2324 PolarHBondContact O-N 3.01Å; E2321-R2324 IonicContact OE1-CZ 2.69Å; E2321-R2324 IonicContact OE1-NE 2.95Å; E2321-R2324 PolarHBondContact OE1-NE 2.58Å; E2321-R2324 IonicContact OE1-NH2 2.69Å; E2321-R2324 PolarHBondContact OE1-NH2 2.74Å; E2321-R2324 IonicContact OE2-NE 3.67Å; E2321-V2325 HydrophobicContact CG-CG2 4.32Å; E2321-V2325 WeakPolarHBondContact O-CA 3.36Å; E2321-V2325 VanDerWaalsContact O-CB 3.3Å; E2321-V2325 WeakPolarHBondContact O-CB 3.35Å; E2321-V2325 WeakPolarHBondContact O-CG2 3.2Å; E2321-V2325 PolarHBondContact O-N 3.49Å |
| 2322 | L | 68.4 | Low | 66.6 | Low | 133 Ų | 133 | 68.4 Ų | 68.4 | 70% | 0.696 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 2.6 | 164.6 | -65.7 | 174.2 | 0 | 0 | 0 | 113.5 | E2318 V2319 A2326 | E2318-L2322 WeakPolarHBondContact O-CB 3.27Å; E2318-L2322 WeakPolarHBondContact O-CG 3.47Å; E2318-L2322 PolarHBondContact O-N 2.69Å; V2319-L2322 CarbonylContact O-C 3.39Å; V2319-L2322 WeakPolarHBondContact O-CA 3.09Å; V2319-L2322 PolarHBondContact O-N 3.39Å; V2319-L2322 VanDerWaalsContact O-N 3.12Å; L2322-A2326 WeakPolarHBondContact O-CB 3.46Å |
| 2323 | E | 62.1 | Low | 66.9 | Low | 68 Ų | 68 | 67.9 Ų | 67.9 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 1.1 | 171.3 | -71.1 | 178.1 | 166.3 | 0 | 0 | 111.9 | V2319 A2320 E2321 A2326 E2327 S2484 | V2319-E2323 HydrophobicContact CG1-CG 4.17Å; V2319-E2323 VanDerWaalsContact O-CB 3.25Å; V2319-E2323 WeakPolarHBondContact O-CB 3.4Å; V2319-E2323 VanDerWaalsContact O-CG 3.3Å; V2319-E2323 WeakPolarHBondContact O-CG 3.46Å; V2319-E2323 PolarHBondContact O-N 3.04Å; A2320-E2323 CarbonylContact O-C 3.52Å; A2320-E2323 WeakPolarHBondContact O-CA 3.31Å; A2320-E2323 PolarHBondContact O-N 2.78Å; E2321-E2323 PolarHBondContact O-N 3.04Å; E2323-A2326 CarbonylContact C-O 3.02Å; E2323-A2326 CarbonylContact O-C 3.48Å; E2323-E2327 WeakPolarHBondContact O-CG 3.2Å; E2323-E2327 PolarHBondContact O-N 2.64Å; E2323-S2484 WeakPolarHBondContact CB-OG 3.4Å; E2323-S2484 PolarHBondContact O-OG 2.87Å |
| 2324 | R | 69.6 | Low | 67 | Low | 109 Ų | 109 | 60.7 Ų | 60.7 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -37.8 | 173.8 | -170.2 | -140.6 | 61.7 | 66.6 | -11.5 | 113.1 | A2320 E2321 A2326 E2327 E2328 | A2320-R2324 WeakPolarHBondContact O-CB 3.22Å; A2320-R2324 PolarHBondContact O-N 3.02Å; E2321-R2324 PolarHBondContact O-N 3.01Å; E2321-R2324 IonicContact OE1-CZ 2.69Å; E2321-R2324 IonicContact OE1-NE 2.95Å; E2321-R2324 PolarHBondContact OE1-NE 2.58Å; E2321-R2324 IonicContact OE1-NH2 2.69Å; E2321-R2324 PolarHBondContact OE1-NH2 2.74Å; E2321-R2324 IonicContact OE2-NE 3.67Å; R2324-A2326 PolarHBondContact O-N 3.2Å; R2324-E2327 CarbonylContact O-C 2.82Å; R2324-E2327 WeakPolarHBondContact O-CA 3.26Å; R2324-E2327 WeakPolarHBondContact O-CB 3.39Å; R2324-E2327 PolarHBondContact O-N 3.46Å; R2324-E2328 IonicContact CZ-OE2 3.7Å; R2324-E2328 IonicContact NH1-OE2 2.69Å; R2324-E2328 PolarHBondContact NH1-OE2 3.41Å; R2324-E2328 IonicContact NH2-OE2 2.73Å |
| 2325 | V | 69.4 | Low | 67.5 | Low | 30 Ų | 30 | 56.5 Ų | 56.5 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 14 | 143.7 | -154.7 | 0 | 0 | 0 | 0 | 109.8 | E2321 G2487 L2488 | E2321-V2325 HydrophobicContact CG-CG2 4.32Å; E2321-V2325 WeakPolarHBondContact O-CA 3.36Å; E2321-V2325 VanDerWaalsContact O-CB 3.3Å; E2321-V2325 WeakPolarHBondContact O-CB 3.35Å; E2321-V2325 WeakPolarHBondContact O-CG2 3.2Å; E2321-V2325 PolarHBondContact O-N 3.49Å; V2325-G2487 CarbonylContact O-C 2.92Å; V2325-G2487 WeakPolarHBondContact O-CA 3.45Å; V2325-L2488 WeakPolarHBondContact O-CA 3.17Å; V2325-L2488 PolarHBondContact O-N 2.72Å; V2325-L2488 VanDerWaalsContact O-N 3.1Å |
| 2326 | A | 68.3 | Low | 67.5 | Low | 7 Ų | 7 | 55.4 Ų | 55.4 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 42.5 | 138.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L2322 E2323 R2324 D2483 S2484 G2487 | L2322-A2326 WeakPolarHBondContact O-CB 3.46Å; E2323-A2326 CarbonylContact C-O 3.02Å; E2323-A2326 CarbonylContact O-C 3.48Å; R2324-A2326 PolarHBondContact O-N 3.2Å; A2326-D2483 HydrophobicContact CB-CB 4.38Å; A2326-D2483 VanDerWaalsContact CB-O 3.28Å; A2326-D2483 WeakPolarHBondContact CB-O 3.49Å; A2326-D2483 CarbonylContact O-C 3.13Å; A2326-D2483 VanDerWaalsContact O-CA 3.24Å; A2326-D2483 WeakPolarHBondContact O-CA 3.29Å; A2326-D2483 WeakPolarHBondContact O-CB 3.36Å; A2326-S2484 PolarHBondContact O-N 2.9Å; A2326-S2484 PolarHBondContact O-OG 2.83Å; A2326-G2487 VanDerWaalsContact CA-O 3.3Å; A2326-G2487 WeakPolarHBondContact CA-O 3.31Å; A2326-G2487 VanDerWaalsContact CB-CA 3.48Å |
| 2327 | E | 68.4 | Low | 67.9 | Low | 16 Ų | 16 | 57.2 Ų | 57.2 | 8% | 0.075 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -117 | 28.4 | 150.7 | -66.9 | -117.1 | 23.3 | 0 | 0 | 108.8 | K1462 P1466 E2323 R2324 N2331 V2478 Q2479 S2480 | K1462-E2327 WeakPolarHBondContact CA-OE2 3.47Å; K1462-E2327 PolarHBondContact N-OE2 3.21Å; P1466-E2327 WeakPolarHBondContact CD-O 2.94Å; P1466-E2327 WeakPolarHBondContact CG-O 3.44Å; E2323-E2327 WeakPolarHBondContact O-CG 3.2Å; E2323-E2327 PolarHBondContact O-N 2.64Å; R2324-E2327 CarbonylContact O-C 2.82Å; R2324-E2327 WeakPolarHBondContact O-CA 3.26Å; R2324-E2327 WeakPolarHBondContact O-CB 3.39Å; R2324-E2327 PolarHBondContact O-N 3.46Å; E2327-N2331 PolarHBondContact O-ND2 3.02Å; E2327-N2331 PolarHBondContact O-OD1 3.43Å; E2327-V2478 PolarHBondContact OE1-N 3.44Å; E2327-V2478 VanDerWaalsContact OE1-O 3.06Å; E2327-Q2479 VanDerWaalsContact C-N 3.32Å; E2327-Q2479 PolarHBondContact O-N 3.37Å; E2327-Q2479 PolarHBondContact OE1-N 3.05Å; E2327-S2480 VanDerWaalsContact CD-CB 3.47Å; E2327-S2480 PolarHBondContact OE1-N 3.3Å; E2327-S2480 WeakPolarHBondContact OE2-CB 3.4Å; E2327-S2480 PolarHBondContact OE2-OG 2.62Å |
| 2328 | E | 68.8 | Low | 68 | Low | 5 Ų | 5 | 55.7 Ų | 55.7 | 2% | 0.023 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -126.1 | -44.6 | -169 | -92.5 | 176.8 | 118.1 | 0 | 0 | 121.2 | P1466 R2324 N2331 R2332 G2487 C2489 K2490 K2491 | P1466-E2328 HydrophobicContact CB-CG 4.43Å; P1466-E2328 HydrophobicContact CG-CB 4.42Å; P1466-E2328 HydrophobicContact CG-CG 3.41Å; P1466-E2328 VanDerWaalsContact CG-CG 3.41Å; R2324-E2328 IonicContact CZ-OE2 3.7Å; R2324-E2328 IonicContact NH1-OE2 2.69Å; R2324-E2328 PolarHBondContact NH1-OE2 3.41Å; R2324-E2328 IonicContact NH2-OE2 2.73Å; E2328-N2331 WeakPolarHBondContact CA-OD1 3.26Å; E2328-N2331 PolarHBondContact N-OD1 2.78Å; E2328-N2331 PolarHBondContact O-OD1 2.71Å; E2328-N2331 VanDerWaalsContact O-OD1 3.07Å; E2328-R2332 VanDerWaalsContact C-NH2 3.28Å; E2328-R2332 PolarHBondContact O-N 2.98Å; E2328-R2332 PolarHBondContact O-NH2 3.03Å; E2328-G2487 CarbonylContact C-O 3.23Å; E2328-G2487 VanDerWaalsContact CA-O 3.29Å; E2328-G2487 WeakPolarHBondContact CA-O 3.42Å; E2328-G2487 PolarHBondContact N-O 3.04Å; E2328-C2489 VanDerWaalsContact CB-O 3.23Å; E2328-C2489 WeakPolarHBondContact CB-O 3.02Å; E2328-C2489 VanDerWaalsContact CG-O 3.28Å; E2328-C2489 WeakPolarHBondContact CG-O 2.92Å; E2328-K2490 WeakPolarHBondContact OE1-CA 3.5Å; E2328-K2490 PolarHBondContact OE1-N 3.27Å; E2328-K2490 PolarHBondContact OE2-N 2.93Å; E2328-K2491 PolarHBondContact OE1-N 3.25Å |
| 2329 | Q | 62.4 | Low | 68.5 | Low | 63 Ų | 63 | 52.6 Ų | 52.6 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -14 | -163.1 | -109.6 | -53.2 | 117.2 | 0 | 0 | 119.9 | R2332 A2333 D2483 G2487 L2488 C2489 | Q2329-R2332 CarbonylContact O-C 3.49Å; Q2329-R2332 VanDerWaalsContact O-CA 3.26Å; Q2329-R2332 WeakPolarHBondContact O-CA 3.4Å; Q2329-R2332 PolarHBondContact O-N 3.29Å; Q2329-R2332 VanDerWaalsContact O-O 3.13Å; Q2329-A2333 PolarHBondContact O-N 3.28Å; Q2329-D2483 WeakPolarHBondContact CA-OD1 3.31Å; Q2329-D2483 PolarHBondContact N-OD1 2.86Å; Q2329-D2483 PolarHBondContact N-OD2 2.74Å; Q2329-G2487 PolarHBondContact N-O 2.81Å; Q2329-L2488 HydrophobicContact CB-CB 3.83Å; Q2329-L2488 VanDerWaalsContact CB-N 3.34Å; Q2329-L2488 HydrophobicContact CG-CB 3.52Å; Q2329-C2489 HydrophobicContact CG-CB 3.8Å |
| 2330 | C | 67.5 | Low | 68.8 | Low | 27 Ų | 27 | 52 Ų | 52 | 18% | 0.182 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132 | 4.8 | -169.3 | -51.5 | 0 | 0 | 0 | 0 | 117 | A2333 G2334 Q2479 T2482 D2483 L2485 N2486 | C2330-A2333 VanDerWaalsContact CA-CB 3.49Å; C2330-A2333 HydrophobicContact CB-CB 3.98Å; C2330-A2333 CarbonylContact O-C 3.25Å; C2330-G2334 WeakPolarHBondContact O-CA 3.47Å; C2330-G2334 PolarHBondContact O-N 2.82Å; C2330-Q2479 PolarHBondContact O-OE1 3.4Å; C2330-T2482 CarbonylContact C-O 3.46Å; C2330-D2483 WeakPolarHBondContact CA-OD2 3.11Å; C2330-D2483 VanDerWaalsContact CB-OD1 3.23Å; C2330-D2483 WeakPolarHBondContact CB-OD1 3.2Å; C2330-D2483 WeakPolarHBondContact CB-OD2 3.36Å; C2330-D2483 PolarHBondContact N-OD1 3.41Å; C2330-D2483 PolarHBondContact N-OD2 3.12Å; C2330-D2483 PolarHBondContact SG-OD1 3.47Å; C2330-L2485 WeakPolarHBondContact CB-O 3.39Å; C2330-N2486 PolarHBondContact SG-N 3.17Å; C2330-N2486 VanDerWaalsContact SG-N 3.43Å |
| 2331 | N | 70.6 | Confident | 69.1 | Low | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | cis | 62.6 | -127.2 | 25.7 | 110 | -10.2 | 0 | 0 | 0 | 105.8 | P1466 D1467 E2327 E2328 A2333 G2334 V2478 Q2479 D2483 | P1466-N2331 WeakPolarHBondContact CB-ND2 3.37Å; P1466-N2331 VanDerWaalsContact CD-ND2 3.32Å; P1466-N2331 WeakPolarHBondContact CD-ND2 3.33Å; P1466-N2331 WeakPolarHBondContact CG-ND2 3.22Å; P1466-N2331 PolarHBondContact O-ND2 2.87Å; D1467-N2331 HydrophobicContact CB-CB 3.86Å; D1467-N2331 VanDerWaalsContact CG-O 3.29Å; D1467-N2331 VanDerWaalsContact OD1-C 3.23Å; D1467-N2331 WeakPolarHBondContact OD2-CB 3.26Å; E2327-N2331 PolarHBondContact O-ND2 3.02Å; E2327-N2331 PolarHBondContact O-OD1 3.43Å; E2328-N2331 WeakPolarHBondContact CA-OD1 3.26Å; E2328-N2331 PolarHBondContact N-OD1 2.78Å; E2328-N2331 PolarHBondContact O-OD1 2.71Å; E2328-N2331 VanDerWaalsContact O-OD1 3.07Å; N2331-A2333 CarbonylContact O-C 3.42Å; N2331-A2333 PolarHBondContact O-N 2.71Å; N2331-G2334 WeakPolarHBondContact O-CA 3.41Å; N2331-G2334 PolarHBondContact O-N 3.18Å; N2331-V2478 HydrophobicContact CB-CG1 4.12Å; N2331-V2478 VanDerWaalsContact ND2-C 3.33Å; N2331-V2478 WeakPolarHBondContact ND2-CG1 3.31Å; N2331-V2478 PolarHBondContact ND2-O 3.47Å; N2331-Q2479 HydrophobicContact CB-CB 3.23Å; N2331-Q2479 HydrophobicContact CB-CG 4.03Å; N2331-Q2479 VanDerWaalsContact CG-N 3.25Å; N2331-Q2479 PolarHBondContact ND2-N 3.49Å; N2331-Q2479 WeakPolarHBondContact OD1-CA 3.24Å; N2331-Q2479 WeakPolarHBondContact OD1-CB 3.27Å; N2331-Q2479 PolarHBondContact OD1-N 3.35Å; N2331-D2483 WeakPolarHBondContact CA-OD2 3.27Å; N2331-D2483 PolarHBondContact N-OD2 2.78Å; N2331-D2483 PolarHBondContact OD1-OD2 3Å |
| 2332 | R | 69.6 | Low | 69.3 | Low | 44 Ų | 44 | 50.3 Ų | 50.3 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 37.8 | 162.4 | -54.7 | -170.6 | -75.5 | -83.6 | -68.2 | 114.3 | C1468 E2328 Q2329 L2336 C2489 | C1468-R2332 HydrophobicContact CB-CG 3.58Å; C1468-R2332 VanDerWaalsContact SG-CD 3.54Å; E2328-R2332 VanDerWaalsContact C-NH2 3.28Å; E2328-R2332 PolarHBondContact O-N 2.98Å; E2328-R2332 PolarHBondContact O-NH2 3.03Å; Q2329-R2332 CarbonylContact O-C 3.49Å; Q2329-R2332 VanDerWaalsContact O-CA 3.26Å; Q2329-R2332 WeakPolarHBondContact O-CA 3.4Å; Q2329-R2332 PolarHBondContact O-N 3.29Å; Q2329-R2332 VanDerWaalsContact O-O 3.13Å; R2332-L2336 HydrophobicContact CB-CG 4.45Å; R2332-L2336 WeakPolarHBondContact O-CD1 3.12Å; R2332-L2336 WeakPolarHBondContact O-CG 3.33Å; R2332-C2489 VanDerWaalsContact CZ-SG 3.57Å; R2332-C2489 PolarHBondContact NH1-O 3.27Å; R2332-C2489 VanDerWaalsContact NH2-CB 3.35Å; R2332-C2489 PolarHBondContact NH2-O 2.72Å |
| 2333 | A | 69.8 | Low | 69.5 | Low | 41 Ų | 41 | 44 Ų | 44 | 34% | 0.339 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.1 | -11.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q2329 C2330 N2331 T2337 | Q2329-A2333 PolarHBondContact O-N 3.28Å; C2330-A2333 VanDerWaalsContact CA-CB 3.49Å; C2330-A2333 HydrophobicContact CB-CB 3.98Å; C2330-A2333 CarbonylContact O-C 3.25Å; N2331-A2333 CarbonylContact O-C 3.42Å; N2331-A2333 PolarHBondContact O-N 2.71Å; A2333-T2337 WeakPolarHBondContact O-CB 3.28Å; A2333-T2337 PolarHBondContact O-N 3.31Å; A2333-T2337 PolarHBondContact O-OG1 2.69Å |
| 2334 | G | 67.5 | Low | 70.1 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 21% | 0.206 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -88.5 | -75.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C2330 N2331 L2336 T2337 E2338 Q2479 | C2330-G2334 WeakPolarHBondContact O-CA 3.47Å; C2330-G2334 PolarHBondContact O-N 2.82Å; N2331-G2334 WeakPolarHBondContact O-CA 3.41Å; N2331-G2334 PolarHBondContact O-N 3.18Å; G2334-L2336 PolarHBondContact O-N 2.87Å; G2334-T2337 CarbonylContact O-C 2.73Å; G2334-T2337 WeakPolarHBondContact O-CA 3.29Å; G2334-T2337 PolarHBondContact O-N 2.82Å; G2334-E2338 PolarHBondContact O-N 2.54Å; G2334-Q2479 VanDerWaalsContact CA-OE1 3.29Å |
| 2335 | D | 71.5 | Confident | 70.1 | Confident | 52 Ų | 52 | 47.9 Ų | 47.9 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.9 | -29.8 | 158.6 | -74 | 3.7 | 0 | 0 | 0 | 108.5 | D1467 A1469 T2337 Q2339 | D1467-D2335 HydrophobicContact CB-CB 4Å; D1467-D2335 VanDerWaalsContact CB-CG 3.46Å; D1467-D2335 WeakPolarHBondContact OD1-CB 3.46Å; D1467-D2335 PolarHBondContact OD1-N 2.72Å; D1467-D2335 VanDerWaalsContact OD1-N 3.09Å; D1467-D2335 PolarHBondContact OD2-N 3.49Å; A1469-D2335 WeakPolarHBondContact CA-O 3.46Å; A1469-D2335 HydrophobicContact CB-CB 3.69Å; D2335-T2337 PolarHBondContact O-N 2.64Å; D2335-Q2339 CarbonylContact O-C 3.1Å; D2335-Q2339 WeakPolarHBondContact O-CA 3.46Å; D2335-Q2339 WeakPolarHBondContact O-CB 3.18Å; D2335-Q2339 PolarHBondContact O-N 3.03Å |
| 2336 | L | 65.5 | Low | 70.6 | Confident | 44 Ų | 44 | 46.6 Ų | 46.6 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -50.6 | -45.1 | 168.6 | -105 | -133.9 | 0 | 0 | 0 | 107.9 | C1468 N1470 R2332 G2334 Q2339 L2340 | C1468-L2336 WeakPolarHBondContact O-CA 3.04Å; C1468-L2336 WeakPolarHBondContact O-CB 2.97Å; C1468-L2336 VanDerWaalsContact O-CD2 3.28Å; C1468-L2336 WeakPolarHBondContact O-CD2 2.93Å; C1468-L2336 VanDerWaalsContact O-CG 3.29Å; C1468-L2336 WeakPolarHBondContact O-CG 3.37Å; C1468-L2336 PolarHBondContact O-N 2.79Å; N1470-L2336 HydrophobicContact CB-CD2 4.09Å; N1470-L2336 WeakPolarHBondContact CB-O 3.3Å; N1470-L2336 VanDerWaalsContact CG-O 3.23Å; N1470-L2336 VanDerWaalsContact N-CA 3.29Å; N1470-L2336 PolarHBondContact N-O 3.38Å; N1470-L2336 VanDerWaalsContact ND2-C 3.26Å; N1470-L2336 PolarHBondContact ND2-O 2.84Å; R2332-L2336 HydrophobicContact CB-CG 4.45Å; R2332-L2336 WeakPolarHBondContact O-CD1 3.12Å; R2332-L2336 WeakPolarHBondContact O-CG 3.33Å; G2334-L2336 PolarHBondContact O-N 2.87Å; L2336-Q2339 CarbonylContact O-C 3.5Å; L2336-L2340 VanDerWaalsContact O-CB 3.22Å; L2336-L2340 WeakPolarHBondContact O-CB 3.2Å; L2336-L2340 PolarHBondContact O-N 2.87Å |
| 2337 | T | 69.9 | Low | 70.6 | Confident | 84 Ų | 84 | 49.1 Ų | 49.1 | 52% | 0.515 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -88.1 | -33.4 | 179 | -61.6 | 0 | 0 | 0 | 0 | 115.8 | A2333 G2334 D2335 L2340 S2341 | A2333-T2337 WeakPolarHBondContact O-CB 3.28Å; A2333-T2337 PolarHBondContact O-N 3.31Å; A2333-T2337 PolarHBondContact O-OG1 2.69Å; G2334-T2337 CarbonylContact O-C 2.73Å; G2334-T2337 WeakPolarHBondContact O-CA 3.29Å; G2334-T2337 PolarHBondContact O-N 2.82Å; D2335-T2337 PolarHBondContact O-N 2.64Å; T2337-L2340 CarbonylContact O-C 2.81Å; T2337-L2340 VanDerWaalsContact O-CA 3.27Å; T2337-L2340 WeakPolarHBondContact O-CA 3.34Å; T2337-L2340 VanDerWaalsContact O-CB 3.32Å; T2337-L2340 WeakPolarHBondContact O-CB 3.1Å; T2337-L2340 PolarHBondContact O-N 3.24Å; T2337-S2341 PolarHBondContact O-N 3.01Å |
| 2338 | E | 71 | Confident | 70.5 | Confident | 130 Ų | 130 | 50.8 Ų | 50.8 | 61% | 0.607 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.2 | -47.4 | 172.3 | 168.7 | 151.1 | -132.6 | 0 | 0 | 109.7 | G2334 L2340 S2341 L2342 | G2334-E2338 PolarHBondContact O-N 2.54Å; E2338-L2340 PolarHBondContact O-N 3.22Å; E2338-S2341 CarbonylContact O-C 3.44Å; E2338-S2341 VanDerWaalsContact O-CA 3.25Å; E2338-S2341 WeakPolarHBondContact O-CA 3.02Å; E2338-S2341 VanDerWaalsContact O-CB 3.22Å; E2338-S2341 WeakPolarHBondContact O-CB 3.38Å; E2338-S2341 PolarHBondContact O-N 3.26Å; E2338-S2341 PolarHBondContact O-OG 2.68Å; E2338-L2342 PolarHBondContact O-N 2.99Å |
| 2339 | Q | 76.9 | Confident | 70.8 | Confident | 42 Ų | 42 | 52.8 Ų | 52.8 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 28.6 | 163.1 | -125 | -158.3 | 130.6 | 0 | 0 | 112.7 | A1469 N1470 Q1471 D2335 L2336 L2342 | A1469-Q2339 HydrophobicContact CB-CB 3.66Å; A1469-Q2339 HydrophobicContact CB-CG 4.39Å; A1469-Q2339 VanDerWaalsContact CB-NE2 3.33Å; N1470-Q2339 CarbonylContact C-O 2.99Å; N1470-Q2339 VanDerWaalsContact CA-O 3.29Å; N1470-Q2339 WeakPolarHBondContact CA-O 3.21Å; N1470-Q2339 WeakPolarHBondContact CB-O 3.49Å; N1470-Q2339 VanDerWaalsContact O-CB 3.27Å; N1470-Q2339 WeakPolarHBondContact O-CB 3.27Å; Q1471-Q2339 HydrophobicContact CB-CG 4.31Å; Q1471-Q2339 WeakPolarHBondContact CB-O 3.42Å; Q1471-Q2339 WeakPolarHBondContact CG-O 3.47Å; Q1471-Q2339 PolarHBondContact N-O 2.59Å; Q1471-Q2339 PolarHBondContact NE2-O 3.13Å; Q1471-Q2339 PolarHBondContact O-OE1 3.48Å; Q1471-Q2339 VanDerWaalsContact O-OE1 3.06Å; D2335-Q2339 CarbonylContact O-C 3.1Å; D2335-Q2339 WeakPolarHBondContact O-CA 3.46Å; D2335-Q2339 WeakPolarHBondContact O-CB 3.18Å; D2335-Q2339 PolarHBondContact O-N 3.03Å; L2336-Q2339 CarbonylContact O-C 3.5Å; Q2339-L2342 HydrophobicContact CG-CB 3.63Å; Q2339-L2342 HydrophobicContact CG-CD2 3.94Å; Q2339-L2342 HydrophobicContact CG-CG 4.35Å |
| 2340 | L | 73.5 | Confident | 71.3 | Confident | 58 Ų | 58 | 50 Ų | 50 | 30% | 0.304 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 6.8 | 145.1 | -167.3 | 47.1 | 0 | 0 | 0 | 111 | N1470 Q1471 L2336 T2337 E2338 K2344 | N1470-L2340 HydrophobicContact CB-CB 4.06Å; N1470-L2340 HydrophobicContact CB-CD1 4.23Å; Q1471-L2340 VanDerWaalsContact OE1-C 3.32Å; Q1471-L2340 PolarHBondContact OE1-O 2.78Å; L2336-L2340 VanDerWaalsContact O-CB 3.22Å; L2336-L2340 WeakPolarHBondContact O-CB 3.2Å; L2336-L2340 PolarHBondContact O-N 2.87Å; T2337-L2340 CarbonylContact O-C 2.81Å; T2337-L2340 VanDerWaalsContact O-CA 3.27Å; T2337-L2340 WeakPolarHBondContact O-CA 3.34Å; T2337-L2340 VanDerWaalsContact O-CB 3.32Å; T2337-L2340 WeakPolarHBondContact O-CB 3.1Å; T2337-L2340 PolarHBondContact O-N 3.24Å; E2338-L2340 PolarHBondContact O-N 3.22Å; L2340-K2344 WeakPolarHBondContact O-CD 3.31Å; L2340-K2344 WeakPolarHBondContact O-CE 3.41Å; L2340-K2344 PolarHBondContact O-NZ 3.34Å |
| 2341 | S | 72.1 | Confident | 71.4 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -35.3 | 175.4 | 94.6 | 0 | 0 | 0 | 0 | 113.7 | T2337 E2338 K2344 R2345 | T2337-S2341 PolarHBondContact O-N 3.01Å; E2338-S2341 CarbonylContact O-C 3.44Å; E2338-S2341 VanDerWaalsContact O-CA 3.25Å; E2338-S2341 WeakPolarHBondContact O-CA 3.02Å; E2338-S2341 VanDerWaalsContact O-CB 3.22Å; E2338-S2341 WeakPolarHBondContact O-CB 3.38Å; E2338-S2341 PolarHBondContact O-N 3.26Å; E2338-S2341 PolarHBondContact O-OG 2.68Å; S2341-K2344 CarbonylContact O-C 3.02Å; S2341-K2344 VanDerWaalsContact O-C 3.32Å; S2341-K2344 VanDerWaalsContact O-CA 3.25Å; S2341-K2344 WeakPolarHBondContact O-CA 2.98Å; S2341-K2344 VanDerWaalsContact O-CB 3.31Å; S2341-K2344 WeakPolarHBondContact O-CB 2.88Å; S2341-K2344 PolarHBondContact O-N 2.87Å; S2341-R2345 WeakPolarHBondContact O-CB 2.96Å; S2341-R2345 PolarHBondContact O-N 2.82Å |
| 2342 | L | 73.3 | Confident | 71.1 | Confident | 47 Ų | 47 | 54.3 Ų | 54.3 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.9 | -59.8 | -176.4 | -175 | 61.5 | 0 | 0 | 0 | 113.4 | L2186 E2338 Q2339 K2344 R2345 Q2346 | L2186-L2342 HydrophobicContact CD2-CD2 4.03Å; E2338-L2342 PolarHBondContact O-N 2.99Å; Q2339-L2342 HydrophobicContact CG-CB 3.63Å; Q2339-L2342 HydrophobicContact CG-CD2 3.94Å; Q2339-L2342 HydrophobicContact CG-CG 4.35Å; L2342-K2344 PolarHBondContact O-N 3.13Å; L2342-K2344 VanDerWaalsContact O-N 3.16Å; L2342-R2345 CarbonylContact O-C 3.46Å; L2342-R2345 WeakPolarHBondContact O-CA 3.11Å; L2342-R2345 PolarHBondContact O-N 2.72Å; L2342-Q2346 PolarHBondContact O-N 3.05Å |
| 2343 | A | 71.1 | Confident | 71.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.9 | 19.4 | 166 | 0 | 0 | 0 | 0 | 0 | 115 | Q1471 Y2347 | Q1471-A2343 HydrophobicContact CB-CB 3.54Å; Q1471-A2343 VanDerWaalsContact CD-C 3.49Å; Q1471-A2343 VanDerWaalsContact CD-CA 3.49Å; Q1471-A2343 VanDerWaalsContact CD-CB 3.48Å; Q1471-A2343 HydrophobicContact CG-CB 3.68Å; A2343-Y2347 WeakPolarHBondContact O-CB 3.29Å; A2343-Y2347 VanDerWaalsContact O-CD1 3.26Å; A2343-Y2347 WeakPolarHBondContact O-CD1 3.22Å; A2343-Y2347 WeakPolarHBondContact O-CD2 3.44Å |
| 2344 | K | 74.6 | Confident | 71.4 | Confident | 117 Ų | 117 | 51.8 Ų | 51.8 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -99.6 | -17.9 | 151.8 | -77.8 | -177.8 | -159.6 | 146.2 | 0 | 111.6 | L2340 S2341 L2342 Y2347 A2348 | L2340-K2344 WeakPolarHBondContact O-CD 3.31Å; L2340-K2344 WeakPolarHBondContact O-CE 3.41Å; L2340-K2344 PolarHBondContact O-NZ 3.34Å; S2341-K2344 CarbonylContact O-C 3.02Å; S2341-K2344 VanDerWaalsContact O-C 3.32Å; S2341-K2344 VanDerWaalsContact O-CA 3.25Å; S2341-K2344 WeakPolarHBondContact O-CA 2.98Å; S2341-K2344 VanDerWaalsContact O-CB 3.31Å; S2341-K2344 WeakPolarHBondContact O-CB 2.88Å; S2341-K2344 PolarHBondContact O-N 2.87Å; L2342-K2344 PolarHBondContact O-N 3.13Å; L2342-K2344 VanDerWaalsContact O-N 3.16Å; K2344-Y2347 VanDerWaalsContact C-N 3.3Å; K2344-Y2347 CarbonylContact O-C 3.39Å; K2344-Y2347 VanDerWaalsContact O-CA 3.28Å; K2344-Y2347 WeakPolarHBondContact O-CA 3.29Å; K2344-Y2347 WeakPolarHBondContact O-CB 3.06Å; K2344-Y2347 PolarHBondContact O-N 3.42Å; K2344-A2348 PolarHBondContact O-N 3.21Å |
| 2345 | R | 71.4 | Confident | 71.2 | Confident | 142 Ų | 142 | 53.4 Ų | 53.4 | 54% | 0.536 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -106.6 | -35.6 | -179.2 | -167.8 | -179.9 | -76 | 134.9 | -8.4 | 113.9 | S2341 L2342 Y2347 A2348 Q2349 | S2341-R2345 WeakPolarHBondContact O-CB 2.96Å; S2341-R2345 PolarHBondContact O-N 2.82Å; L2342-R2345 CarbonylContact O-C 3.46Å; L2342-R2345 WeakPolarHBondContact O-CA 3.11Å; L2342-R2345 PolarHBondContact O-N 2.72Å; R2345-Y2347 PolarHBondContact O-N 3.33Å; R2345-Y2347 VanDerWaalsContact O-N 3.08Å; R2345-A2348 CarbonylContact O-C 2.83Å; R2345-A2348 VanDerWaalsContact O-CA 3.25Å; R2345-A2348 WeakPolarHBondContact O-CA 3.3Å; R2345-A2348 WeakPolarHBondContact O-CB 3.14Å; R2345-A2348 PolarHBondContact O-N 2.97Å; R2345-Q2349 PolarHBondContact O-N 3.22Å |
| 2346 | Q | 79.1 | Confident | 71.1 | Confident | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.019 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 27.6 | 138.1 | -56.9 | -175.6 | -7.8 | 0 | 0 | 112.2 | Q1241 R1477 L2186 L2189 L2342 | Q1241-Q2346 VanDerWaalsContact CB-O 3.23Å; Q1241-Q2346 WeakPolarHBondContact CB-O 3.49Å; Q1241-Q2346 PolarHBondContact NE2-O 2.96Å; Q1241-Q2346 VanDerWaalsContact OE1-CA 3.31Å; Q1241-Q2346 PolarHBondContact OE1-O 3.45Å; R1477-Q2346 VanDerWaalsContact NH2-CB 3.29Å; R1477-Q2346 PolarHBondContact NH2-O 2.75Å; L2186-Q2346 VanDerWaalsContact CG-NE2 3.32Å; L2189-Q2346 HydrophobicContact CD1-CG 4.27Å; L2342-Q2346 PolarHBondContact O-N 3.05Å |
| 2347 | Y | 68.7 | Low | 71.5 | Confident | 59 Ų | 59 | 56.7 Ų | 56.7 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -136.1 | 12.7 | 159.6 | -109.8 | -155.8 | 0 | 0 | 0 | 108.3 | P1239 R1240 Q1241 Y1475 R1477 A2343 K2344 R2345 | P1239-Y2347 HydrophobicContact CB-CG 4.36Å; P1239-Y2347 WeakPolarHBondContact CB-O 3.01Å; P1239-Y2347 HydrophobicContact CG-CD1 3.16Å; P1239-Y2347 HydrophobicContact CG-CD2 3.85Å; P1239-Y2347 HydrophobicContact CG-CE1 3.84Å; P1239-Y2347 HydrophobicContact CG-CE2 4.42Å; P1239-Y2347 HydrophobicContact CG-CG 3.13Å; P1239-Y2347 WeakPolarHBondContact CG-O 3.44Å; R1240-Y2347 HydrophobicContact CB-CD2 3.97Å; R1240-Y2347 HydrophobicContact CB-CG 4.38Å; R1240-Y2347 WeakPolarHBondContact CD-O 3.14Å; R1240-Y2347 VanDerWaalsContact O-CE2 3.26Å; R1240-Y2347 WeakPolarHBondContact O-CE2 3.26Å; Q1241-Y2347 HydrophobicContact CB-CD2 4.02Å; Q1241-Y2347 HydrophobicContact CB-CE2 4.44Å; Q1241-Y2347 VanDerWaalsContact NE2-N 3.16Å; Y1475-Y2347 PolarHBondContact O-OH 2.72Å; R1477-Y2347 HydrophobicContact CG-CE2 4.46Å; A2343-Y2347 WeakPolarHBondContact O-CB 3.29Å; A2343-Y2347 VanDerWaalsContact O-CD1 3.26Å; A2343-Y2347 WeakPolarHBondContact O-CD1 3.22Å; A2343-Y2347 WeakPolarHBondContact O-CD2 3.44Å; K2344-Y2347 VanDerWaalsContact C-N 3.3Å; K2344-Y2347 CarbonylContact O-C 3.39Å; K2344-Y2347 VanDerWaalsContact O-CA 3.28Å; K2344-Y2347 WeakPolarHBondContact O-CA 3.29Å; K2344-Y2347 WeakPolarHBondContact O-CB 3.06Å; K2344-Y2347 PolarHBondContact O-N 3.42Å; R2345-Y2347 PolarHBondContact O-N 3.33Å; R2345-Y2347 VanDerWaalsContact O-N 3.08Å |
| 2348 | A | 66.5 | Low | 71.1 | Confident | 52 Ų | 52 | 52.8 Ų | 52.8 | 43% | 0.43 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -11.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114 | R1240 K2344 R2345 | R1240-A2348 PolarHBondContact NE-O 2.8Å; R1240-A2348 PolarHBondContact NH1-O 2.89Å; R1240-A2348 VanDerWaalsContact NH1-O 3.08Å; R1240-A2348 PolarHBondContact NH2-O 3.19Å; K2344-A2348 PolarHBondContact O-N 3.21Å; R2345-A2348 CarbonylContact O-C 2.83Å; R2345-A2348 VanDerWaalsContact O-CA 3.25Å; R2345-A2348 WeakPolarHBondContact O-CA 3.3Å; R2345-A2348 WeakPolarHBondContact O-CB 3.14Å; R2345-A2348 PolarHBondContact O-N 2.97Å |
| 2349 | Q | 74 | Confident | 70.7 | Confident | 46 Ų | 46 | 50.7 Ų | 50.7 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -103.1 | -65.5 | 178.3 | -79.2 | -179.6 | -53.3 | 0 | 0 | 117.5 | R1240 R2345 K2351 S2352 | R1240-Q2349 VanDerWaalsContact CZ-O 3.29Å; R1240-Q2349 PolarHBondContact NE-O 2.86Å; R1240-Q2349 VanDerWaalsContact NE-O 3.09Å; R1240-Q2349 PolarHBondContact NH2-O 2.82Å; R2345-Q2349 PolarHBondContact O-N 3.22Å; Q2349-K2351 PolarHBondContact O-N 2.93Å; Q2349-K2351 VanDerWaalsContact O-N 3.17Å; Q2349-S2352 PolarHBondContact O-N 2.94Å; Q2349-S2352 PolarHBondContact O-OG 2.92Å |
| 2350 | L | 73.5 | Confident | 70.2 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -86.3 | 8.9 | -157 | 124.4 | 106.2 | 0 | 0 | 0 | 118.7 | Q1241 H1242 L2189 Q2353 I2354 | Q1241-L2350 HydrophobicContact CG-CB 3.81Å; Q1241-L2350 HydrophobicContact CG-CD2 3.47Å; Q1241-L2350 VanDerWaalsContact CG-CD2 3.47Å; Q1241-L2350 HydrophobicContact CG-CG 3.48Å; Q1241-L2350 VanDerWaalsContact CG-CG 3.48Å; H1242-L2350 HydrophobicContact CB-CD1 4.42Å; H1242-L2350 HydrophobicContact CB-CD2 3.99Å; H1242-L2350 HydrophobicContact CB-CG 4.42Å; H1242-L2350 WeakPolarHBondContact CD2-CD1 3.47Å; H1242-L2350 WeakPolarHBondContact CD2-CG 3.36Å; L2189-L2350 HydrophobicContact CD1-CD2 3.46Å; L2189-L2350 VanDerWaalsContact CD1-CD2 3.46Å; L2189-L2350 HydrophobicContact CD2-CB 4.02Å; L2189-L2350 HydrophobicContact CD2-CD2 3.81Å; L2189-L2350 HydrophobicContact CD2-CG 4.41Å; L2189-L2350 HydrophobicContact CG-CD2 4.12Å; L2350-Q2353 HydrophobicContact CB-CB 3.81Å; L2350-Q2353 HydrophobicContact CB-CG 3.89Å; L2350-Q2353 HydrophobicContact CD1-CB 3.85Å; L2350-Q2353 HydrophobicContact CG-CB 4.41Å; L2350-Q2353 CarbonylContact O-C 3.14Å; L2350-Q2353 WeakPolarHBondContact O-CA 3.31Å; L2350-Q2353 WeakPolarHBondContact O-CB 3.15Å; L2350-Q2353 PolarHBondContact O-N 2.82Å; L2350-I2354 PolarHBondContact O-N 2.94Å |
| 2351 | K | 68.5 | Low | 69.8 | Low | 63 Ų | 63 | 49.3 Ų | 49.3 | 27% | 0.274 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -76.3 | -24.4 | 156 | 168.4 | -172.3 | 168.9 | -176.8 | 0 | 113.3 | R1240 Q2349 Q2353 I2354 T2355 | R1240-K2351 HydrophobicContact CB-CB 4.18Å; R1240-K2351 HydrophobicContact CG-CB 3.01Å; R1240-K2351 HydrophobicContact CG-CD 4.16Å; R1240-K2351 HydrophobicContact CG-CG 4.19Å; R1240-K2351 VanDerWaalsContact NE-N 3.11Å; Q2349-K2351 PolarHBondContact O-N 2.93Å; Q2349-K2351 VanDerWaalsContact O-N 3.17Å; K2351-Q2353 VanDerWaalsContact C-N 3.31Å; K2351-I2354 VanDerWaalsContact O-CB 3.22Å; K2351-I2354 WeakPolarHBondContact O-CB 3.4Å; K2351-I2354 PolarHBondContact O-N 3.19Å; K2351-T2355 PolarHBondContact O-N 2.92Å; K2351-T2355 PolarHBondContact O-OG1 2.87Å |
| 2352 | S | 64.2 | Low | 68.9 | Low | 54 Ų | 54 | 50.1 Ų | 50.1 | 38% | 0.378 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -80.7 | -23.6 | 165.7 | 58.8 | 0 | 0 | 0 | 0 | 109.8 | R1240 Q2349 T2355 T2356 | R1240-S2352 VanDerWaalsContact NH2-CB 3.27Å; R1240-S2352 PolarHBondContact NH2-OG 2.87Å; Q2349-S2352 PolarHBondContact O-N 2.94Å; Q2349-S2352 PolarHBondContact O-OG 2.92Å; S2352-T2355 CarbonylContact O-C 3.38Å; S2352-T2355 WeakPolarHBondContact O-CA 3.12Å; S2352-T2355 PolarHBondContact O-N 3.16Å; S2352-T2356 PolarHBondContact O-N 2.83Å; S2352-T2356 PolarHBondContact O-OG1 2.93Å |
| 2353 | Q | 77.8 | Confident | 68 | Low | 17 Ų | 17 | 49.3 Ų | 49.3 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 161.1 | -57.7 | -172.5 | 33.4 | 0 | 0 | 110.2 | L2350 K2351 T2355 T2356 Y2357 G2358 | L2350-Q2353 HydrophobicContact CB-CB 3.81Å; L2350-Q2353 HydrophobicContact CB-CG 3.89Å; L2350-Q2353 HydrophobicContact CD1-CB 3.85Å; L2350-Q2353 HydrophobicContact CG-CB 4.41Å; L2350-Q2353 CarbonylContact O-C 3.14Å; L2350-Q2353 WeakPolarHBondContact O-CA 3.31Å; L2350-Q2353 WeakPolarHBondContact O-CB 3.15Å; L2350-Q2353 PolarHBondContact O-N 2.82Å; K2351-Q2353 VanDerWaalsContact C-N 3.31Å; Q2353-T2355 PolarHBondContact O-N 3.42Å; Q2353-T2356 PolarHBondContact O-N 2.98Å; Q2353-Y2357 HydrophobicContact CB-CD2 4.44Å; Q2353-Y2357 CarbonylContact O-C 3.5Å; Q2353-Y2357 WeakPolarHBondContact O-CA 3.21Å; Q2353-Y2357 WeakPolarHBondContact O-CB 3.18Å; Q2353-Y2357 PolarHBondContact O-N 3.49Å; Q2353-G2358 PolarHBondContact O-N 3.3Å |
| 2354 | I | 69.5 | Low | 67.8 | Low | 16 Ų | 16 | 50.3 Ų | 50.3 | 8% | 0.082 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -46.4 | -22.4 | 161.6 | -84.3 | -169.5 | 0 | 0 | 0 | 114.1 | Q1479 V1481 L2350 K2351 G2358 | Q1479-I2354 HydrophobicContact CB-CD1 3.7Å; Q1479-I2354 HydrophobicContact CB-CG1 4.2Å; Q1479-I2354 HydrophobicContact CG-CD1 3.57Å; Q1479-I2354 WeakPolarHBondContact O-CD1 3.23Å; Q1479-I2354 VanDerWaalsContact OE1-CD1 3.31Å; V1481-I2354 HydrophobicContact CB-CG1 4.15Å; V1481-I2354 WeakPolarHBondContact CG1-O 3.32Å; V1481-I2354 VanDerWaalsContact O-CG1 3.24Å; V1481-I2354 WeakPolarHBondContact O-CG1 3.09Å; L2350-I2354 PolarHBondContact O-N 2.94Å; K2351-I2354 VanDerWaalsContact O-CB 3.22Å; K2351-I2354 WeakPolarHBondContact O-CB 3.4Å; K2351-I2354 PolarHBondContact O-N 3.19Å; I2354-G2358 VanDerWaalsContact C-N 3.32Å; I2354-G2358 WeakPolarHBondContact O-CA 3.43Å; I2354-G2358 PolarHBondContact O-N 2.89Å |
| 2355 | T | 61.9 | Low | 66.9 | Low | 53 Ų | 53 | 46.6 Ų | 46.6 | 33% | 0.325 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -106.4 | -25.6 | -177.1 | -24.1 | 0 | 0 | 0 | 0 | 114.8 | Q1122 K2351 S2352 Q2353 G2358 I2359 | Q1122-T2355 HydrophobicContact CG-CG2 4.37Å; K2351-T2355 PolarHBondContact O-N 2.92Å; K2351-T2355 PolarHBondContact O-OG1 2.87Å; S2352-T2355 CarbonylContact O-C 3.38Å; S2352-T2355 WeakPolarHBondContact O-CA 3.12Å; S2352-T2355 PolarHBondContact O-N 3.16Å; Q2353-T2355 PolarHBondContact O-N 3.42Å; T2355-G2358 CarbonylContact O-C 3.57Å; T2355-I2359 PolarHBondContact O-N 3.19Å |
| 2356 | T | 69.4 | Low | 66 | Low | 98 Ų | 98 | 39.9 Ų | 39.9 | 60% | 0.601 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -92.9 | -33.6 | 172.7 | -51.5 | 0 | 0 | 0 | 0 | 111.5 | S2352 Q2353 G2358 I2359 | S2352-T2356 PolarHBondContact O-N 2.83Å; S2352-T2356 PolarHBondContact O-OG1 2.93Å; Q2353-T2356 PolarHBondContact O-N 2.98Å; T2356-G2358 VanDerWaalsContact C-N 3.34Å; T2356-I2359 VanDerWaalsContact C-N 3.3Å; T2356-I2359 CarbonylContact O-C 3.6Å; T2356-I2359 WeakPolarHBondContact O-CA 3.41Å; T2356-I2359 VanDerWaalsContact O-CB 3.23Å; T2356-I2359 WeakPolarHBondContact O-CB 3.18Å; T2356-I2359 PolarHBondContact O-N 3.4Å |
| 2357 | Y | 73.7 | Confident | 64.7 | Low | 68 Ų | 68 | 43.3 Ų | 43.3 | 27% | 0.267 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -97.8 | 1 | 170.1 | -116.4 | -35.4 | 0 | 0 | 0 | 108 | V1481 P1482 N1483 Q2353 L2360 | V1481-Y2357 WeakPolarHBondContact CG1-O 3.14Å; P1482-Y2357 VanDerWaalsContact CA-O 3.31Å; P1482-Y2357 WeakPolarHBondContact CA-O 3.12Å; P1482-Y2357 VanDerWaalsContact CB-CB 3.47Å; P1482-Y2357 HydrophobicContact CB-CD1 3.14Å; P1482-Y2357 HydrophobicContact CB-CD2 4.2Å; P1482-Y2357 HydrophobicContact CB-CE1 3.89Å; P1482-Y2357 HydrophobicContact CB-CG 3.36Å; P1482-Y2357 VanDerWaalsContact CB-O 3.24Å; P1482-Y2357 WeakPolarHBondContact CB-O 3.49Å; P1482-Y2357 HydrophobicContact CG-CD1 3.54Å; P1482-Y2357 HydrophobicContact CG-CD2 3.69Å; P1482-Y2357 HydrophobicContact CG-CE1 4.06Å; P1482-Y2357 HydrophobicContact CG-CE2 4.16Å; P1482-Y2357 HydrophobicContact CG-CG 3.37Å; N1483-Y2357 WeakPolarHBondContact ND2-CE1 3.03Å; Q2353-Y2357 HydrophobicContact CB-CD2 4.44Å; Q2353-Y2357 CarbonylContact O-C 3.5Å; Q2353-Y2357 WeakPolarHBondContact O-CA 3.21Å; Q2353-Y2357 WeakPolarHBondContact O-CB 3.18Å; Q2353-Y2357 PolarHBondContact O-N 3.49Å; Y2357-L2360 HydrophobicContact CD1-CB 3.99Å; Y2357-L2360 HydrophobicContact CD1-CD1 3.26Å; Y2357-L2360 HydrophobicContact CD1-CG 4.01Å; Y2357-L2360 HydrophobicContact CE1-CD1 3.4Å; Y2357-L2360 VanDerWaalsContact CE1-CD1 3.4Å; Y2357-L2360 HydrophobicContact CG-CD1 4.46Å; Y2357-L2360 CarbonylContact O-C 3.59Å; Y2357-L2360 WeakPolarHBondContact O-CA 3.23Å; Y2357-L2360 VanDerWaalsContact O-CB 3.29Å; Y2357-L2360 WeakPolarHBondContact O-CB 3.45Å; Y2357-L2360 PolarHBondContact O-N 3.32Å |
| 2358 | G | 63.5 | Low | 63.6 | Low | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -111.4 | 23.8 | 146.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1121 Q2353 I2354 T2355 T2356 | S1121-G2358 CarbonylContact C-O 3.46Å; S1121-G2358 WeakPolarHBondContact CA-O 3.44Å; S1121-G2358 PolarHBondContact N-O 2.77Å; S1121-G2358 CarbonylContact O-C 3.53Å; S1121-G2358 WeakPolarHBondContact O-CA 3.16Å; Q2353-G2358 PolarHBondContact O-N 3.3Å; I2354-G2358 VanDerWaalsContact C-N 3.32Å; I2354-G2358 WeakPolarHBondContact O-CA 3.43Å; I2354-G2358 PolarHBondContact O-N 2.89Å; T2355-G2358 CarbonylContact O-C 3.57Å; T2356-G2358 VanDerWaalsContact C-N 3.34Å |
| 2359 | I | 60.6 | Low | 62.4 | Low | 86 Ų | 86 | 38.8 Ų | 38.8 | 44% | 0.441 | 21% | 0.206 | S | C | . | . | S | Bend | -91.1 | 25.3 | 125.4 | -77.6 | 163.8 | 0 | 0 | 0 | 105.9 | H1120 T2355 T2356 | H1120-I2359 PolarHBondContact ND1-O 2.66Å; T2355-I2359 PolarHBondContact O-N 3.19Å; T2356-I2359 VanDerWaalsContact C-N 3.3Å; T2356-I2359 CarbonylContact O-C 3.6Å; T2356-I2359 WeakPolarHBondContact O-CA 3.41Å; T2356-I2359 VanDerWaalsContact O-CB 3.23Å; T2356-I2359 WeakPolarHBondContact O-CB 3.18Å; T2356-I2359 PolarHBondContact O-N 3.4Å | |
| 2360 | L | 67.5 | Low | 60.8 | Low | 24 Ų | 24 | 40.5 Ų | 40.5 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | trans | -145.6 | 84 | 162.5 | -57 | 176.4 | 0 | 0 | 0 | 121.3 | N1119 H1120 L1265 P1482 Y2357 E2363 | N1119-L2360 VanDerWaalsContact C-C 3.4Å; N1119-L2360 VanDerWaalsContact C-CA 3.47Å; N1119-L2360 CarbonylContact O-C 3.29Å; N1119-L2360 VanDerWaalsContact O-C 3.23Å; N1119-L2360 WeakPolarHBondContact O-CA 3.34Å; N1119-L2360 VanDerWaalsContact O-CB 3.24Å; N1119-L2360 WeakPolarHBondContact O-CB 3.09Å; N1119-L2360 WeakPolarHBondContact O-CD2 3.14Å; H1120-L2360 VanDerWaalsContact CA-CA 3.45Å; L1265-L2360 WeakPolarHBondContact O-CD2 3.12Å; P1482-L2360 HydrophobicContact CB-CB 4.49Å; Y2357-L2360 HydrophobicContact CD1-CB 3.99Å; Y2357-L2360 HydrophobicContact CD1-CD1 3.26Å; Y2357-L2360 HydrophobicContact CD1-CG 4.01Å; Y2357-L2360 HydrophobicContact CE1-CD1 3.4Å; Y2357-L2360 VanDerWaalsContact CE1-CD1 3.4Å; Y2357-L2360 HydrophobicContact CG-CD1 4.46Å; Y2357-L2360 CarbonylContact O-C 3.59Å; Y2357-L2360 WeakPolarHBondContact O-CA 3.23Å; Y2357-L2360 VanDerWaalsContact O-CB 3.29Å; Y2357-L2360 WeakPolarHBondContact O-CB 3.45Å; Y2357-L2360 PolarHBondContact O-N 3.32Å; L2360-E2363 HydrophobicContact CD2-CB 3.63Å; L2360-E2363 HydrophobicContact CD2-CG 4.06Å | ||
| 2361 | M | 64.8 | Low | 59.5 | Low | 48 Ų | 48 | 43.4 Ų | 43.4 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -143.1 | -29.4 | 166.8 | -97.1 | -89.1 | 104.9 | 0 | 0 | 118.9 | N1119 H1120 V1481 S1484 I1485 | N1119-M2361 WeakPolarHBondContact CA-O 3.35Å; N1119-M2361 PolarHBondContact O-N 3.38Å; N1119-M2361 WeakPolarHBondContact OD1-CA 3.45Å; N1119-M2361 PolarHBondContact OD1-O 3.2Å; H1120-M2361 VanDerWaalsContact N-C 3.28Å; H1120-M2361 CarbonylContact O-C 3.47Å; H1120-M2361 WeakPolarHBondContact O-CA 2.9Å; H1120-M2361 WeakPolarHBondContact O-CB 3.09Å; H1120-M2361 PolarHBondContact O-N 2.81Å; V1481-M2361 HydrophobicContact CB-CG 4Å; V1481-M2361 HydrophobicContact CG1-CG 3.72Å; V1481-M2361 HydrophobicContact CG2-CG 3.68Å; V1481-M2361 HydrophobicContact CG2-SD 4.28Å; S1484-M2361 WeakPolarHBondContact O-CE 3.39Å; I1485-M2361 HydrophobicContact CB-CE 4.4Å; I1485-M2361 HydrophobicContact CG2-CE 3.95Å; I1485-M2361 HydrophobicContact CG2-SD 4.38Å |
| 2362 | D | 52.7 | Low | 58.4 | Low | 53 Ų | 53 | 40.5 Ų | 40.5 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -119.2 | 0 | 141.6 | 82.9 | 124.2 | 0 | 0 | 0 | 126.3 | L1118 H1120 S1121 G1262 H1263 I2365 | L1118-D2362 CarbonylContact O-C 3.52Å; H1120-D2362 WeakPolarHBondContact CB-O 3.34Å; H1120-D2362 WeakPolarHBondContact CB-OD2 3.22Å; H1120-D2362 PolarHBondContact N-O 2.64Å; H1120-D2362 PolarHBondContact O-N 2.95Å; H1120-D2362 VanDerWaalsContact O-OD2 3.11Å; S1121-D2362 PolarHBondContact OG-OD2 3.29Å; G1262-D2362 CarbonylContact C-O 3.59Å; G1262-D2362 WeakPolarHBondContact CA-O 2.87Å; G1262-D2362 VanDerWaalsContact N-CB 3.34Å; G1262-D2362 PolarHBondContact N-OD1 2.9Å; H1263-D2362 PolarHBondContact N-O 2.85Å; D2362-I2365 HydrophobicContact CB-CD1 3.62Å; D2362-I2365 HydrophobicContact CB-CG1 4.44Å |
| 2363 | E | 55 | Low | 57.3 | Low | 30 Ų | 30 | 38.5 Ų | 38.5 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | S | Bend | 0 | -24.2 | 0 | 10.9 | -150.2 | 99.2 | 0 | 0 | 138.6 | L1118 N1119 H1120 H1263 S1264 L1265 D1266 L2360 | L1118-E2363 VanDerWaalsContact CA-CA 3.41Å; L1118-E2363 VanDerWaalsContact CA-O 3.24Å; L1118-E2363 WeakPolarHBondContact CA-O 3.45Å; L1118-E2363 VanDerWaalsContact CB-C 3.42Å; L1118-E2363 HydrophobicContact CB-CB 4.35Å; L1118-E2363 WeakPolarHBondContact CB-O 3.16Å; L1118-E2363 WeakPolarHBondContact CD1-O 3.31Å; L1118-E2363 HydrophobicContact CG-CB 4.11Å; L1118-E2363 WeakPolarHBondContact CG-O 3.34Å; L1118-E2363 PolarHBondContact O-N 2.79Å; N1119-E2363 VanDerWaalsContact C-C 3.46Å; N1119-E2363 VanDerWaalsContact C-CG 3.44Å; N1119-E2363 VanDerWaalsContact CB-C 3.42Å; N1119-E2363 CarbonylContact O-C 3.6Å; N1119-E2363 WeakPolarHBondContact O-CA 2.81Å; N1119-E2363 WeakPolarHBondContact O-CB 3.21Å; N1119-E2363 VanDerWaalsContact O-CG 3.32Å; N1119-E2363 WeakPolarHBondContact O-CG 3.02Å; N1119-E2363 PolarHBondContact O-N 2.9Å; H1120-E2363 HydrophobicContact CB-CG 3.33Å; H1120-E2363 IonicContact CE1-OE2 2.71Å; H1120-E2363 IonicContact CG-OE2 3.61Å; H1120-E2363 VanDerWaalsContact N-CG 3.29Å; H1120-E2363 IonicContact ND1-OE1 2.74Å; H1120-E2363 IonicContact ND1-OE2 2.62Å; H1120-E2363 PolarHBondContact ND1-OE2 3.37Å; H1263-E2363 WeakPolarHBondContact O-CA 3.41Å; H1263-E2363 WeakPolarHBondContact O-CB 3.48Å; H1263-E2363 WeakPolarHBondContact O-CG 3.15Å; H1263-E2363 PolarHBondContact O-N 3.4Å; S1264-E2363 VanDerWaalsContact C-CB 3.49Å; S1264-E2363 VanDerWaalsContact C-CD 3.46Å; S1264-E2363 WeakPolarHBondContact CA-OE1 3.15Å; S1264-E2363 PolarHBondContact N-OE1 3.42Å; S1264-E2363 WeakPolarHBondContact O-CB 3.38Å; S1264-E2363 WeakPolarHBondContact O-CG 3.22Å; L1265-E2363 CarbonylContact C-O 3.55Å; L1265-E2363 WeakPolarHBondContact O-CB 3.36Å; D1266-E2363 PolarHBondContact N-O 2.66Å; L2360-E2363 HydrophobicContact CD2-CB 3.63Å; L2360-E2363 HydrophobicContact CD2-CG 4.06Å | |
| 2364 | V | 66 | Low | 55.5 | Low | 21 Ų | 21 | 41.3 Ų | 41.3 | 13% | 0.127 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -113 | 0 | 130.4 | -144.7 | 0 | 0 | 0 | 0 | 122.7 | N1117 N1119 A2368 S2369 E2372 | N1117-V2364 VanDerWaalsContact C-C 3.49Å; N1117-V2364 CarbonylContact O-C 3.53Å; N1119-V2364 HydrophobicContact CB-CB 4.03Å; N1119-V2364 HydrophobicContact CB-CG2 3.96Å; N1119-V2364 VanDerWaalsContact N-C 3.31Å; N1119-V2364 VanDerWaalsContact N-CA 3.31Å; N1119-V2364 VanDerWaalsContact ND2-CA 3.25Å; N1119-V2364 WeakPolarHBondContact ND2-CA 3.05Å; N1119-V2364 WeakPolarHBondContact ND2-CB 3.38Å; N1119-V2364 PolarHBondContact ND2-N 3.41Å; V2364-A2368 HydrophobicContact CB-CB 4.18Å; V2364-A2368 HydrophobicContact CG1-CB 3.37Å; V2364-S2369 WeakPolarHBondContact O-CA 3.24Å; V2364-S2369 WeakPolarHBondContact O-CB 3.39Å; V2364-S2369 PolarHBondContact O-N 3.09Å; V2364-S2369 VanDerWaalsContact O-N 3.1Å; V2364-E2372 VanDerWaalsContact O-OE2 3.07Å |
| 2365 | I | 56.7 | Low | 54.2 | Low | 39 Ų | 39 | 43.1 Ų | 43.1 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | S | Bend | 0 | -25.1 | 0 | -5.9 | 155.4 | 0 | 0 | 0 | 128.5 | L1116 N1117 L1118 I1485 D2362 S2369 | L1116-I2365 CarbonylContact C-O 3.59Å; N1117-I2365 CarbonylContact C-O 3.09Å; N1117-I2365 VanDerWaalsContact N-C 3.3Å; N1117-I2365 PolarHBondContact N-O 2.77Å; N1117-I2365 CarbonylContact O-C 2.79Å; N1117-I2365 WeakPolarHBondContact O-CA 3.3Å; N1117-I2365 PolarHBondContact O-N 3.3Å; L1118-I2365 CarbonylContact O-C 3.1Å; L1118-I2365 WeakPolarHBondContact O-CA 3.42Å; L1118-I2365 WeakPolarHBondContact O-CB 3.01Å; L1118-I2365 PolarHBondContact O-N 2.93Å; I1485-I2365 HydrophobicContact CD1-CB 4.17Å; I1485-I2365 HydrophobicContact CD1-CG1 3.42Å; I1485-I2365 VanDerWaalsContact CD1-CG1 3.42Å; I1485-I2365 HydrophobicContact CD1-CG2 4.39Å; I1485-I2365 HydrophobicContact CG1-CD1 4.28Å; I1485-I2365 HydrophobicContact CG1-CG1 3.59Å; D2362-I2365 HydrophobicContact CB-CD1 3.62Å; D2362-I2365 HydrophobicContact CB-CG1 4.44Å; I2365-S2369 PolarHBondContact O-OG 2.83Å | |
| 2366 | T | 52 | Low | 53.4 | Low | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -94.8 | -44.1 | 160.3 | -85.5 | 0 | 0 | 0 | 0 | 129.2 | L1116 N1117 L1118 F1259 R1261 G1262 H1263 | L1116-T2366 CarbonylContact C-O 3.37Å; L1116-T2366 WeakPolarHBondContact CB-O 3.06Å; N1117-T2366 VanDerWaalsContact CA-CA 3.44Å; N1117-T2366 VanDerWaalsContact CA-O 3.23Å; N1117-T2366 WeakPolarHBondContact CA-O 3.24Å; N1117-T2366 WeakPolarHBondContact CB-O 3.37Å; N1117-T2366 PolarHBondContact N-O 2.81Å; N1117-T2366 PolarHBondContact O-N 2.68Å; N1117-T2366 VanDerWaalsContact O-N 3.1Å; L1118-T2366 VanDerWaalsContact C-N 3.25Å; L1118-T2366 HydrophobicContact CB-CG2 4.18Å; L1118-T2366 HydrophobicContact CD2-CG2 4.15Å; L1118-T2366 PolarHBondContact O-N 2.81Å; F1259-T2366 WeakPolarHBondContact CD1-OG1 3.35Å; F1259-T2366 HydrophobicContact CE1-CG2 3.88Å; F1259-T2366 WeakPolarHBondContact CE1-O 3.45Å; F1259-T2366 VanDerWaalsContact CE1-OG1 3.31Å; F1259-T2366 WeakPolarHBondContact CE1-OG1 3.16Å; R1261-T2366 VanDerWaalsContact CA-OG1 3.26Å; R1261-T2366 WeakPolarHBondContact CA-OG1 3.34Å; R1261-T2366 WeakPolarHBondContact CB-OG1 3.5Å; R1261-T2366 WeakPolarHBondContact CD-OG1 3.46Å; R1261-T2366 WeakPolarHBondContact CG-OG1 3.46Å; G1262-T2366 VanDerWaalsContact C-OG1 3.25Å; G1262-T2366 WeakPolarHBondContact CA-OG1 3.4Å; G1262-T2366 WeakPolarHBondContact O-CB 3.41Å; G1262-T2366 VanDerWaalsContact O-CG2 3.23Å; G1262-T2366 WeakPolarHBondContact O-CG2 3.48Å; G1262-T2366 PolarHBondContact O-OG1 2.74Å; H1263-T2366 HydrophobicContact CB-CG2 4.31Å; H1263-T2366 WeakPolarHBondContact CE1-CG2 3.24Å; H1263-T2366 VanDerWaalsContact ND1-CG2 3.27Å; H1263-T2366 WeakPolarHBondContact ND1-CG2 3.12Å; H1263-T2366 WeakPolarHBondContact NE2-CG2 3.24Å |
| 2367 | I | 51.8 | Low | 52.2 | Low | 77 Ų | 77 | 36.8 Ų | 36.8 | 40% | 0.395 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -119.4 | 15 | 164.2 | -38.6 | -74.6 | 0 | 0 | 0 | 119 | L1116 N1117 L1118 | L1116-I2367 HydrophobicContact CD1-CD1 4.43Å; L1116-I2367 HydrophobicContact CD2-CD1 4.07Å; N1117-I2367 HydrophobicContact CB-CB 4.46Å; N1117-I2367 VanDerWaalsContact CB-N 3.25Å; N1117-I2367 VanDerWaalsContact ND2-CA 3.28Å; N1117-I2367 WeakPolarHBondContact ND2-CA 3.21Å; N1117-I2367 PolarHBondContact ND2-O 3Å; N1117-I2367 PolarHBondContact OD1-O 2.76Å; L1118-I2367 HydrophobicContact CD1-CB 3.91Å; L1118-I2367 HydrophobicContact CD2-CB 3.38Å; L1118-I2367 HydrophobicContact CD2-CG1 3.63Å; L1118-I2367 HydrophobicContact CG-CB 4.21Å |
| 2368 | A | 46.7 | Very low | 51 | Low | 15 Ų | 15 | 39.5 Ų | 39.5 | 12% | 0.124 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -128.4 | -30.6 | 162 | 0 | 0 | 0 | 0 | 0 | 121.6 | N1117 L1118 V2364 Q2370 T2371 | N1117-A2368 WeakPolarHBondContact OD1-CA 3.22Å; N1117-A2368 PolarHBondContact OD1-N 2.94Å; N1117-A2368 PolarHBondContact OD1-O 3.1Å; L1118-A2368 HydrophobicContact CD1-CB 3.78Å; V2364-A2368 HydrophobicContact CB-CB 4.18Å; V2364-A2368 HydrophobicContact CG1-CB 3.37Å; A2368-Q2370 PolarHBondContact O-N 3.03Å; A2368-T2371 PolarHBondContact O-N 3.43Å; A2368-T2371 VanDerWaalsContact O-N 3.09Å; A2368-T2371 PolarHBondContact O-OG1 3.01Å; A2368-T2371 VanDerWaalsContact O-OG1 3.13Å |
| 2369 | S | 40.6 | Very low | 50 | Low | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -3.3 | 166 | 83.8 | 0 | 0 | 0 | 0 | 117.4 | N1117 R1257 V2364 I2365 T2371 E2372 L2373 | N1117-S2369 WeakPolarHBondContact CA-OG 3.4Å; N1117-S2369 PolarHBondContact N-OG 3.23Å; N1117-S2369 WeakPolarHBondContact O-CA 3.35Å; N1117-S2369 WeakPolarHBondContact O-CB 3.35Å; N1117-S2369 PolarHBondContact O-N 3.42Å; N1117-S2369 PolarHBondContact O-OG 2.74Å; N1117-S2369 PolarHBondContact OD1-N 2.91Å; R1257-S2369 PolarHBondContact O-OG 2.84Å; V2364-S2369 WeakPolarHBondContact O-CA 3.24Å; V2364-S2369 WeakPolarHBondContact O-CB 3.39Å; V2364-S2369 PolarHBondContact O-N 3.09Å; V2364-S2369 VanDerWaalsContact O-N 3.1Å; I2365-S2369 PolarHBondContact O-OG 2.83Å; S2369-T2371 PolarHBondContact O-N 2.81Å; S2369-E2372 WeakPolarHBondContact CB-OE2 3.38Å; S2369-E2372 CarbonylContact O-C 3.47Å; S2369-E2372 PolarHBondContact O-N 2.65Å; S2369-L2373 VanDerWaalsContact O-CB 3.24Å; S2369-L2373 WeakPolarHBondContact O-CB 3.41Å; S2369-L2373 PolarHBondContact O-N 3.4Å |
| 2370 | Q | 40.8 | Very low | 49.3 | Very low | 83 Ų | 83 | 37.9 Ų | 37.9 | 39% | 0.388 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -3.9 | 161.2 | -160 | 168.1 | 45.5 | 0 | 0 | 110 | N1115 N1117 A2368 L2373 | N1115-Q2370 HydrophobicContact CB-CG 4.3Å; N1117-Q2370 HydrophobicContact CB-CB 3.9Å; N1117-Q2370 PolarHBondContact ND2-OE1 2.9Å; N1117-Q2370 WeakPolarHBondContact OD1-CA 3.46Å; N1117-Q2370 WeakPolarHBondContact OD1-CB 3.47Å; N1117-Q2370 PolarHBondContact OD1-N 3.09Å; A2368-Q2370 PolarHBondContact O-N 3.03Å; Q2370-L2373 HydrophobicContact CG-CD1 4.31Å; Q2370-L2373 WeakPolarHBondContact O-CB 3.3Å |
| 2371 | T | 45.6 | Very low | 48.4 | Very low | 65 Ų | 65 | 37.1 Ų | 37.1 | 40% | 0.399 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -30.3 | 162.2 | 67.9 | 0 | 0 | 0 | 0 | 115.6 | A2368 S2369 L2373 T2374 E2375 | A2368-T2371 PolarHBondContact O-N 3.43Å; A2368-T2371 VanDerWaalsContact O-N 3.09Å; A2368-T2371 PolarHBondContact O-OG1 3.01Å; A2368-T2371 VanDerWaalsContact O-OG1 3.13Å; S2369-T2371 PolarHBondContact O-N 2.81Å; T2371-L2373 PolarHBondContact O-N 2.9Å; T2371-T2374 WeakPolarHBondContact CA-OG1 3.43Å; T2371-T2374 CarbonylContact O-C 3.22Å; T2371-T2374 PolarHBondContact O-N 3.15Å; T2371-T2374 PolarHBondContact O-OG1 3.45Å; T2371-T2374 VanDerWaalsContact O-OG1 3.07Å; T2371-E2375 VanDerWaalsContact O-CB 3.27Å; T2371-E2375 WeakPolarHBondContact O-CB 3.41Å; T2371-E2375 PolarHBondContact O-N 3.44Å |
| 2372 | E | 45.7 | Very low | 47.3 | Very low | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.014 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.8 | -25 | 164 | -61.7 | 161 | 171.5 | 0 | 0 | 109.1 | S1256 S1484 I1485 N1486 V2364 S2369 H2376 | S1256-E2372 WeakPolarHBondContact CA-O 3.45Å; S1256-E2372 PolarHBondContact OG-O 2.79Å; S1484-E2372 WeakPolarHBondContact CB-OE1 3.4Å; I1485-E2372 WeakPolarHBondContact CD1-OE2 3.47Å; N1486-E2372 VanDerWaalsContact CB-CD 3.49Å; N1486-E2372 HydrophobicContact CB-CG 4.17Å; N1486-E2372 PolarHBondContact ND2-OE2 2.69Å; V2364-E2372 VanDerWaalsContact O-OE2 3.07Å; S2369-E2372 WeakPolarHBondContact CB-OE2 3.38Å; S2369-E2372 CarbonylContact O-C 3.47Å; S2369-E2372 PolarHBondContact O-N 2.65Å; E2372-H2376 WeakPolarHBondContact O-CA 3.05Å; E2372-H2376 WeakPolarHBondContact O-CB 3.4Å; E2372-H2376 PolarHBondContact O-CD2 3.31Å; E2372-H2376 PolarHBondContact O-N 2.71Å |
| 2373 | L | 40.5 | Very low | 47.1 | Very low | 12 Ų | 12 | 34.2 Ų | 34.2 | 6% | 0.063 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -48.7 | -59.3 | 160.2 | -161.1 | 159.1 | 0 | 0 | 0 | 110.4 | N1115 S1256 R1257 P1505 S2369 Q2370 T2371 G2377 | N1115-L2373 HydrophobicContact CB-CD1 3.58Å; N1115-L2373 WeakPolarHBondContact ND2-CD1 3.34Å; S1256-L2373 WeakPolarHBondContact OG-CA 3.14Å; S1256-L2373 PolarHBondContact OG-O 2.77Å; R1257-L2373 HydrophobicContact CB-CB 4.34Å; R1257-L2373 HydrophobicContact CB-CD1 4.11Å; R1257-L2373 HydrophobicContact CB-CG 3.78Å; R1257-L2373 HydrophobicContact CG-CD1 3.56Å; R1257-L2373 HydrophobicContact CG-CD2 4.48Å; R1257-L2373 HydrophobicContact CG-CG 3.6Å; P1505-L2373 WeakPolarHBondContact CA-O 3.18Å; P1505-L2373 HydrophobicContact CB-CD2 3.68Å; P1505-L2373 HydrophobicContact CB-CG 3.97Å; P1505-L2373 WeakPolarHBondContact CB-O 3.1Å; P1505-L2373 HydrophobicContact CG-CD2 3.61Å; P1505-L2373 HydrophobicContact CG-CG 4.43Å; P1505-L2373 WeakPolarHBondContact CG-O 3.25Å; S2369-L2373 VanDerWaalsContact O-CB 3.24Å; S2369-L2373 WeakPolarHBondContact O-CB 3.41Å; S2369-L2373 PolarHBondContact O-N 3.4Å; Q2370-L2373 HydrophobicContact CG-CD1 4.31Å; Q2370-L2373 WeakPolarHBondContact O-CB 3.3Å; T2371-L2373 PolarHBondContact O-N 2.9Å; L2373-G2377 WeakPolarHBondContact O-CA 3.39Å; L2373-G2377 PolarHBondContact O-N 3.4Å |
| 2374 | T | 40.9 | Very low | 46.9 | Very low | 75 Ų | 75 | 34 Ų | 34 | 46% | 0.46 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -86.4 | -13.6 | -174.8 | 56 | 0 | 0 | 0 | 0 | 114.6 | T2371 G2377 K2378 | T2371-T2374 WeakPolarHBondContact CA-OG1 3.43Å; T2371-T2374 CarbonylContact O-C 3.22Å; T2371-T2374 PolarHBondContact O-N 3.15Å; T2371-T2374 PolarHBondContact O-OG1 3.45Å; T2371-T2374 VanDerWaalsContact O-OG1 3.07Å; T2374-G2377 VanDerWaalsContact C-CA 3.5Å; T2374-G2377 CarbonylContact O-C 3.53Å; T2374-G2377 WeakPolarHBondContact O-CA 3.37Å; T2374-K2378 WeakPolarHBondContact O-CG 3.45Å; T2374-K2378 PolarHBondContact O-N 2.79Å; T2374-K2378 VanDerWaalsContact O-N 3.16Å |
| 2375 | E | 41.1 | Very low | 46.1 | Very low | 54 Ų | 54 | 33.4 Ų | 33.4 | 25% | 0.252 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -98.9 | -39.5 | 179.1 | -154.8 | -169.3 | 152.1 | 0 | 0 | 111 | R1488 T2371 G2377 K2378 R2379 | R1488-E2375 IonicContact CZ-OE2 3.41Å; R1488-E2375 IonicContact NE-OE2 2.74Å; R1488-E2375 PolarHBondContact NE-OE2 3.04Å; R1488-E2375 IonicContact NH2-OE2 3.23Å; R1488-E2375 PolarHBondContact NH2-OE2 3.43Å; T2371-E2375 VanDerWaalsContact O-CB 3.27Å; T2371-E2375 WeakPolarHBondContact O-CB 3.41Å; T2371-E2375 PolarHBondContact O-N 3.44Å; E2375-G2377 PolarHBondContact O-N 3.13Å; E2375-K2378 CarbonylContact O-C 3.21Å; E2375-K2378 PolarHBondContact O-N 2.91Å; E2375-R2379 VanDerWaalsContact O-CB 3.23Å; E2375-R2379 WeakPolarHBondContact O-CB 3.1Å; E2375-R2379 VanDerWaalsContact O-CD 3.31Å; E2375-R2379 WeakPolarHBondContact O-CD 3.26Å; E2375-R2379 WeakPolarHBondContact O-CG 3.48Å; E2375-R2379 PolarHBondContact O-N 2.96Å; E2375-R2379 IonicContact OE1-CZ 2.74Å; E2375-R2379 IonicContact OE1-NE 2.8Å; E2375-R2379 PolarHBondContact OE1-NE 2.95Å; E2375-R2379 IonicContact OE1-NH2 3.35Å; E2375-R2379 PolarHBondContact OE1-NH2 3.24Å |
| 2376 | H | 46.1 | Very low | 45.8 | Very low | 8 Ų | 8 | 31.6 Ų | 31.6 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.2 | -36.4 | 154.5 | -64.7 | -115.2 | 0 | 0 | 0 | 108.8 | N1253 N1254 T1255 S1256 V1504 E2372 K2378 R2379 L2380 | N1253-H2376 WeakPolarHBondContact ND2-CA 3.43Å; N1253-H2376 WeakPolarHBondContact ND2-CB 3.38Å; N1253-H2376 PolarHBondContact ND2-ND1 3.04Å; N1253-H2376 PolarHBondContact ND2-O 3.44Å; N1253-H2376 VanDerWaalsContact ND2-O 3.14Å; N1253-H2376 PolarHBondContact OD1-ND1 2.52Å; N1254-H2376 PolarHBondContact N-CE1 3.33Å; N1254-H2376 PolarHBondContact O-CE1 3.24Å; T1255-H2376 VanDerWaalsContact CA-CE1 3.48Å; T1255-H2376 WeakPolarHBondContact CA-CE1 3.31Å; T1255-H2376 PolarHBondContact N-CE1 2.81Å; S1256-H2376 PolarHBondContact N-CD2 3.24Å; S1256-H2376 VanDerWaalsContact N-CD2 3.34Å; S1256-H2376 WeakPolarHBondContact OG-CB 3.21Å; V1504-H2376 CarbonylContact O-C 3.19Å; E2372-H2376 WeakPolarHBondContact O-CA 3.05Å; E2372-H2376 WeakPolarHBondContact O-CB 3.4Å; E2372-H2376 PolarHBondContact O-CD2 3.31Å; E2372-H2376 PolarHBondContact O-N 2.71Å; H2376-K2378 CarbonylContact O-C 3.57Å; H2376-K2378 PolarHBondContact O-N 3.26Å; H2376-R2379 CarbonylContact O-C 3.19Å; H2376-R2379 PolarHBondContact O-N 2.71Å; H2376-L2380 PolarHBondContact O-N 2.76Å |
| 2377 | G | 43.9 | Very low | 45.5 | Very low | 11 Ų | 11 | 32.6 Ų | 32.6 | 11% | 0.113 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.1 | -2.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | G1503 V1504 P1505 L2373 T2374 E2375 | G1503-G2377 PolarHBondContact N-O 3.23Å; G1503-G2377 VanDerWaalsContact N-O 3.12Å; V1504-G2377 PolarHBondContact O-N 3.11Å; P1505-G2377 VanDerWaalsContact N-CA 3.28Å; L2373-G2377 WeakPolarHBondContact O-CA 3.39Å; L2373-G2377 PolarHBondContact O-N 3.4Å; T2374-G2377 VanDerWaalsContact C-CA 3.5Å; T2374-G2377 CarbonylContact O-C 3.53Å; T2374-G2377 WeakPolarHBondContact O-CA 3.37Å; E2375-G2377 PolarHBondContact O-N 3.13Å |
| 2378 | K | 47.4 | Very low | 45.2 | Very low | 124 Ų | 124 | 32.6 Ų | 32.6 | 54% | 0.539 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -120 | -37.8 | 163.4 | -74.4 | 179.2 | 179 | -170.2 | 0 | 111.9 | T1502 T2374 E2375 H2376 E2381 A2382 | T1502-K2378 HydrophobicContact CG2-CD 4.48Å; T1502-K2378 HydrophobicContact CG2-CG 4.11Å; T1502-K2378 PolarHBondContact N-O 2.8Å; T2374-K2378 WeakPolarHBondContact O-CG 3.45Å; T2374-K2378 PolarHBondContact O-N 2.79Å; T2374-K2378 VanDerWaalsContact O-N 3.16Å; E2375-K2378 CarbonylContact O-C 3.21Å; E2375-K2378 PolarHBondContact O-N 2.91Å; H2376-K2378 CarbonylContact O-C 3.57Å; H2376-K2378 PolarHBondContact O-N 3.26Å; K2378-E2381 CarbonylContact O-C 3.44Å; K2378-E2381 WeakPolarHBondContact O-CA 3.39Å; K2378-E2381 PolarHBondContact O-N 2.67Å; K2378-A2382 PolarHBondContact O-N 3.02Å |
| 2379 | R | 43.1 | Very low | 45.3 | Very low | 31 Ų | 31 | 32 Ų | 32 | 12% | 0.117 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -75.8 | -24.7 | -174.9 | -67.3 | 161.6 | 170.8 | -116.6 | -2 | 114.9 | H1252 N1253 E2375 H2376 A2382 A2383 | H1252-R2379 HydrophobicContact CB-CB 3.88Å; H1252-R2379 HydrophobicContact CB-CG 3.83Å; N1253-R2379 VanDerWaalsContact CG-CB 3.49Å; N1253-R2379 WeakPolarHBondContact OD1-CB 3.31Å; N1253-R2379 WeakPolarHBondContact OD1-CD 3.34Å; E2375-R2379 VanDerWaalsContact O-CB 3.23Å; E2375-R2379 WeakPolarHBondContact O-CB 3.1Å; E2375-R2379 VanDerWaalsContact O-CD 3.31Å; E2375-R2379 WeakPolarHBondContact O-CD 3.26Å; E2375-R2379 WeakPolarHBondContact O-CG 3.48Å; E2375-R2379 PolarHBondContact O-N 2.96Å; E2375-R2379 IonicContact OE1-CZ 2.74Å; E2375-R2379 IonicContact OE1-NE 2.8Å; E2375-R2379 PolarHBondContact OE1-NE 2.95Å; E2375-R2379 IonicContact OE1-NH2 3.35Å; E2375-R2379 PolarHBondContact OE1-NH2 3.24Å; H2376-R2379 CarbonylContact O-C 3.19Å; H2376-R2379 PolarHBondContact O-N 2.71Å; R2379-A2382 CarbonylContact O-C 3.46Å; R2379-A2382 PolarHBondContact O-N 3.41Å; R2379-A2383 WeakPolarHBondContact O-CA 3.35Å; R2379-A2383 WeakPolarHBondContact O-CB 3.24Å; R2379-A2383 PolarHBondContact O-N 2.88Å |
| 2380 | L | 46.2 | Very low | 45 | Very low | 23 Ų | 23 | 34.1 Ų | 34.1 | 12% | 0.12 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -88.2 | -11.5 | 170.9 | 172.3 | 153.1 | 0 | 0 | 0 | 111.1 | N1253 G1503 V1504 H2376 L2384 | N1253-L2380 HydrophobicContact CB-CB 4.47Å; N1253-L2380 WeakPolarHBondContact ND2-CB 3.33Å; N1253-L2380 PolarHBondContact ND2-N 3.46Å; G1503-L2380 VanDerWaalsContact C-C 3.49Å; G1503-L2380 CarbonylContact O-C 3.52Å; V1504-L2380 HydrophobicContact CB-CD2 3.86Å; V1504-L2380 HydrophobicContact CG1-CD2 3.94Å; V1504-L2380 VanDerWaalsContact N-CD2 3.27Å; V1504-L2380 WeakPolarHBondContact O-CB 3.43Å; H2376-L2380 PolarHBondContact O-N 2.76Å; L2380-L2384 HydrophobicContact CD2-CD1 3.43Å; L2380-L2384 VanDerWaalsContact CD2-CD1 3.43Å; L2380-L2384 HydrophobicContact CD2-CG 4.07Å; L2380-L2384 HydrophobicContact CG-CD1 3.84Å; L2380-L2384 HydrophobicContact CG-CG 3.93Å; L2380-L2384 WeakPolarHBondContact O-CA 3.44Å; L2380-L2384 WeakPolarHBondContact O-CB 3.5Å; L2380-L2384 VanDerWaalsContact O-CG 3.25Å; L2380-L2384 WeakPolarHBondContact O-CG 3.48Å; L2380-L2384 PolarHBondContact O-N 2.79Å |
| 2381 | E | 48.1 | Very low | 44.9 | Very low | 7 Ų | 7 | 33.2 Ų | 33.2 | 3% | 0.033 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -96.8 | 22 | 155.1 | 130 | 163.2 | -51.6 | 0 | 0 | 113.9 | Q1149 I1150 D1151 L1501 T1502 G1503 K2378 L2384 S2385 | Q1149-E2381 VanDerWaalsContact CA-OE1 3.22Å; Q1149-E2381 WeakPolarHBondContact CA-OE1 3.43Å; I1150-E2381 WeakPolarHBondContact CA-OE2 3.28Å; I1150-E2381 PolarHBondContact N-OE1 2.86Å; I1150-E2381 VanDerWaalsContact N-OE1 3.14Å; I1150-E2381 PolarHBondContact N-OE2 2.68Å; D1151-E2381 PolarHBondContact N-OE2 2.7Å; L1501-E2381 CarbonylContact C-O 3.48Å; L1501-E2381 HydrophobicContact CB-CG 3.76Å; L1501-E2381 WeakPolarHBondContact CB-O 3.26Å; L1501-E2381 VanDerWaalsContact CD1-CD 3.42Å; L1501-E2381 HydrophobicContact CD1-CG 3.91Å; L1501-E2381 WeakPolarHBondContact CD1-OE1 3.03Å; L1501-E2381 HydrophobicContact CG-CG 4.49Å; T1502-E2381 PolarHBondContact N-O 3.35Å; G1503-E2381 VanDerWaalsContact N-CA 3.33Å; G1503-E2381 WeakPolarHBondContact O-CA 3.34Å; G1503-E2381 WeakPolarHBondContact O-CB 3.31Å; G1503-E2381 VanDerWaalsContact O-CG 3.22Å; G1503-E2381 WeakPolarHBondContact O-CG 3.39Å; G1503-E2381 PolarHBondContact O-N 2.78Å; K2378-E2381 CarbonylContact O-C 3.44Å; K2378-E2381 WeakPolarHBondContact O-CA 3.39Å; K2378-E2381 PolarHBondContact O-N 2.67Å; E2381-L2384 HydrophobicContact CB-CB 4.29Å; E2381-S2385 WeakPolarHBondContact O-CB 3.37Å; E2381-S2385 WeakPolarHBondContact OE1-CB 3.27Å; E2381-S2385 PolarHBondContact OE1-OG 3.37Å |
| 2382 | A | 43 | Very low | 44.3 | Very low | 30 Ų | 30 | 35.1 Ų | 35.1 | 25% | 0.248 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -126.5 | -21.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y1251 K2378 R2379 S2385 A2386 | Y1251-A2382 WeakPolarHBondContact CE1-O 3.31Å; K2378-A2382 PolarHBondContact O-N 3.02Å; R2379-A2382 CarbonylContact O-C 3.46Å; R2379-A2382 PolarHBondContact O-N 3.41Å; A2382-S2385 CarbonylContact O-C 2.95Å; A2382-A2386 WeakPolarHBondContact O-CB 3.18Å; A2382-A2386 PolarHBondContact O-N 2.86Å; A2382-A2386 VanDerWaalsContact O-N 3.11Å |
| 2383 | A | 48.5 | Very low | 44 | Very low | 11 Ų | 11 | 37.2 Ų | 37.2 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -100.4 | -26.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y1251 R2379 A2386 V2387 | Y1251-A2383 VanDerWaalsContact C-CB 3.46Å; Y1251-A2383 HydrophobicContact CD1-CB 3.68Å; Y1251-A2383 HydrophobicContact CG-CB 3.97Å; Y1251-A2383 WeakPolarHBondContact O-CB 3.28Å; R2379-A2383 WeakPolarHBondContact O-CA 3.35Å; R2379-A2383 WeakPolarHBondContact O-CB 3.24Å; R2379-A2383 PolarHBondContact O-N 2.88Å; A2383-A2386 CarbonylContact O-C 3.53Å; A2383-A2386 WeakPolarHBondContact O-CA 3.49Å; A2383-A2386 WeakPolarHBondContact O-CB 3.24Å; A2383-A2386 PolarHBondContact O-N 2.78Å; A2383-V2387 WeakPolarHBondContact O-CG2 3.39Å; A2383-V2387 PolarHBondContact O-N 2.76Å |
| 2384 | L | 49.9 | Very low | 43.7 | Very low | 26 Ų | 26 | 40 Ų | 40 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -90.9 | -15.5 | 155.6 | -55.8 | 171.7 | 0 | 0 | 0 | 111.4 | D1147 I1150 L2380 E2381 A2386 V2387 R2388 | D1147-L2384 CarbonylContact O-C 3.57Å; I1150-L2384 WeakPolarHBondContact O-CB 3.46Å; I1150-L2384 WeakPolarHBondContact O-CD1 3.47Å; L2380-L2384 HydrophobicContact CD2-CD1 3.43Å; L2380-L2384 VanDerWaalsContact CD2-CD1 3.43Å; L2380-L2384 HydrophobicContact CD2-CG 4.07Å; L2380-L2384 HydrophobicContact CG-CD1 3.84Å; L2380-L2384 HydrophobicContact CG-CG 3.93Å; L2380-L2384 WeakPolarHBondContact O-CA 3.44Å; L2380-L2384 WeakPolarHBondContact O-CB 3.5Å; L2380-L2384 VanDerWaalsContact O-CG 3.25Å; L2380-L2384 WeakPolarHBondContact O-CG 3.48Å; L2380-L2384 PolarHBondContact O-N 2.79Å; E2381-L2384 HydrophobicContact CB-CB 4.29Å; L2384-A2386 PolarHBondContact O-N 2.81Å; L2384-V2387 VanDerWaalsContact C-N 3.32Å; L2384-V2387 VanDerWaalsContact CA-N 3.32Å; L2384-V2387 HydrophobicContact CD2-CB 4Å; L2384-V2387 CarbonylContact O-C 3.48Å; L2384-V2387 PolarHBondContact O-N 3.11Å; L2384-R2388 PolarHBondContact O-N 2.71Å |
| 2385 | S | 50.5 | Low | 43.3 | Very low | 8 Ų | 8 | 39.5 Ų | 39.5 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 14.1 | 145.8 | -95.3 | 0 | 0 | 0 | 0 | 111.1 | D1147 H1148 E2381 A2382 | D1147-S2385 CarbonylContact O-C 3.36Å; H1148-S2385 VanDerWaalsContact CA-O 3.31Å; H1148-S2385 WeakPolarHBondContact CA-O 3.49Å; H1148-S2385 VanDerWaalsContact ND1-CB 3.33Å; H1148-S2385 WeakPolarHBondContact ND1-CB 3.26Å; H1148-S2385 PolarHBondContact ND1-OG 3.18Å; E2381-S2385 WeakPolarHBondContact O-CB 3.37Å; E2381-S2385 WeakPolarHBondContact OE1-CB 3.27Å; E2381-S2385 PolarHBondContact OE1-OG 3.37Å; A2382-S2385 CarbonylContact O-C 2.95Å |
| 2386 | A | 48.6 | Very low | 43.1 | Very low | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | 16.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1146 D1147 Y1251 N1519 A2382 A2383 L2384 | N1146-A2386 HydrophobicContact CB-CB 3.94Å; D1147-A2386 VanDerWaalsContact CA-C 3.43Å; D1147-A2386 VanDerWaalsContact CB-C 3.42Å; D1147-A2386 WeakPolarHBondContact CB-O 2.97Å; D1147-A2386 PolarHBondContact N-O 3.42Å; D1147-A2386 VanDerWaalsContact N-O 3.13Å; D1147-A2386 CarbonylContact O-C 3.57Å; D1147-A2386 WeakPolarHBondContact O-CA 3.46Å; D1147-A2386 PolarHBondContact O-N 3.08Å; D1147-A2386 VanDerWaalsContact O-N 3.13Å; Y1251-A2386 HydrophobicContact CD1-CB 4.4Å; Y1251-A2386 HydrophobicContact CD2-CB 3.89Å; Y1251-A2386 HydrophobicContact CE1-CB 4.1Å; Y1251-A2386 HydrophobicContact CE2-CB 3.51Å; Y1251-A2386 HydrophobicContact CG-CB 4.32Å; N1519-A2386 WeakPolarHBondContact CB-O 3.46Å; N1519-A2386 WeakPolarHBondContact ND2-CB 3.26Å; N1519-A2386 PolarHBondContact ND2-O 2.64Å; A2382-A2386 WeakPolarHBondContact O-CB 3.18Å; A2382-A2386 PolarHBondContact O-N 2.86Å; A2382-A2386 VanDerWaalsContact O-N 3.11Å; A2383-A2386 CarbonylContact O-C 3.53Å; A2383-A2386 WeakPolarHBondContact O-CA 3.49Å; A2383-A2386 WeakPolarHBondContact O-CB 3.24Å; A2383-A2386 PolarHBondContact O-N 2.78Å; L2384-A2386 PolarHBondContact O-N 2.81Å |
| 2387 | V | 45.8 | Very low | 42.5 | Very low | 21 Ų | 21 | 44.3 Ų | 44.3 | 13% | 0.127 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -151.1 | 50.2 | 168.7 | -152.9 | 0 | 0 | 0 | 0 | 117.2 | D1147 N1517 P1518 N1519 A2383 L2384 | D1147-V2387 CarbonylContact O-C 3.39Å; D1147-V2387 WeakPolarHBondContact O-CA 3.4Å; D1147-V2387 PolarHBondContact O-N 2.58Å; D1147-V2387 VanDerWaalsContact OD2-CA 3.24Å; D1147-V2387 WeakPolarHBondContact OD2-CA 3.42Å; N1517-V2387 WeakPolarHBondContact ND2-CG2 3.17Å; P1518-V2387 WeakPolarHBondContact O-CG2 3.36Å; N1519-V2387 HydrophobicContact CB-CG2 4.49Å; A2383-V2387 WeakPolarHBondContact O-CG2 3.39Å; A2383-V2387 PolarHBondContact O-N 2.76Å; L2384-V2387 VanDerWaalsContact C-N 3.32Å; L2384-V2387 VanDerWaalsContact CA-N 3.32Å; L2384-V2387 HydrophobicContact CD2-CB 4Å; L2384-V2387 CarbonylContact O-C 3.48Å; L2384-V2387 PolarHBondContact O-N 3.11Å |
| 2388 | R | 47.1 | Very low | 42 | Very low | 78 Ų | 78 | 50.7 Ų | 50.7 | 29% | 0.294 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -160.9 | -10.1 | 140.4 | -142.6 | -85.6 | -37.7 | 131.6 | 1.8 | 120.3 | D1147 Q1149 I1150 L2384 L2391 | D1147-R2388 PolarHBondContact O-N 3.19Å; D1147-R2388 WeakPolarHBondContact OD1-CA 3.19Å; D1147-R2388 PolarHBondContact OD1-N 2.65Å; D1147-R2388 VanDerWaalsContact OD1-N 3.11Å; D1147-R2388 VanDerWaalsContact OD2-CA 3.26Å; D1147-R2388 WeakPolarHBondContact OD2-CA 3.2Å; D1147-R2388 PolarHBondContact OD2-N 3.5Å; D1147-R2388 VanDerWaalsContact OD2-N 3.1Å; Q1149-R2388 VanDerWaalsContact CB-NH2 3.34Å; Q1149-R2388 WeakPolarHBondContact O-CA 3.44Å; Q1149-R2388 WeakPolarHBondContact O-CB 3.05Å; Q1149-R2388 PolarHBondContact O-N 2.78Å; I1150-R2388 HydrophobicContact CB-CB 3.8Å; I1150-R2388 HydrophobicContact CB-CG 4.15Å; I1150-R2388 HydrophobicContact CG2-CB 3.68Å; I1150-R2388 HydrophobicContact CG2-CG 3.72Å; L2384-R2388 PolarHBondContact O-N 2.71Å; R2388-L2391 WeakPolarHBondContact O-CB 3.12Å |
| 2389 | A | 47.8 | Very low | 41.4 | Very low | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -139.1 | 58.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 119 | D1147 H1148 Q1149 E2392 | D1147-A2389 VanDerWaalsContact C-N 3.27Å; D1147-A2389 PolarHBondContact O-N 3.42Å; D1147-A2389 VanDerWaalsContact OD1-CA 3.25Å; D1147-A2389 WeakPolarHBondContact OD1-CA 3.23Å; D1147-A2389 PolarHBondContact OD1-N 2.75Å; H1148-A2389 CarbonylContact C-O 3.53Å; H1148-A2389 PolarHBondContact N-O 3.02Å; Q1149-A2389 HydrophobicContact CB-CB 3.51Å; Q1149-A2389 HydrophobicContact CG-CB 3.75Å; Q1149-A2389 VanDerWaalsContact N-N 3.18Å; Q1149-A2389 VanDerWaalsContact OE1-CB 3.28Å; A2389-E2392 HydrophobicContact CB-CG 4.33Å; A2389-E2392 WeakPolarHBondContact O-CG 3.33Å |
| 2390 | E | 35.2 | Very low | 40.9 | Very low | 46 Ų | 46 | 54.9 Ų | 54.9 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | trans | -143.5 | 7 | 156.1 | -105.2 | 179.6 | -99.7 | 0 | 0 | 107.1 | L1145 N1146 D1147 H1148 T1521 A1522 E2392 Q2393 | L1145-E2390 HydrophobicContact CB-CB 4.3Å; L1145-E2390 HydrophobicContact CD1-CB 3.92Å; L1145-E2390 HydrophobicContact CD1-CG 3.88Å; L1145-E2390 WeakPolarHBondContact CD1-O 3.35Å; N1146-E2390 VanDerWaalsContact C-CB 3.46Å; N1146-E2390 HydrophobicContact CB-CB 4.2Å; N1146-E2390 WeakPolarHBondContact CB-OE2 3.47Å; N1146-E2390 PolarHBondContact ND2-OE2 3.1Å; N1146-E2390 CarbonylContact O-C 3.43Å; N1146-E2390 VanDerWaalsContact O-CB 3.27Å; N1146-E2390 WeakPolarHBondContact O-CB 3.16Å; D1147-E2390 VanDerWaalsContact CA-CA 3.49Å; D1147-E2390 HydrophobicContact CB-CB 4.47Å; D1147-E2390 PolarHBondContact OD1-N 2.7Å; H1148-E2390 HydrophobicContact CB-CB 4.24Å; H1148-E2390 HydrophobicContact CB-CG 4.11Å; H1148-E2390 WeakPolarHBondContact CB-OE1 3.4Å; H1148-E2390 IonicContact CD2-OE1 3.69Å; T1521-E2390 CarbonylContact C-O 2.82Å; T1521-E2390 VanDerWaalsContact CA-O 3.25Å; T1521-E2390 WeakPolarHBondContact CA-O 3.48Å; T1521-E2390 WeakPolarHBondContact CG2-O 3.29Å; A1522-E2390 PolarHBondContact N-O 3.34Å; E2390-E2392 CarbonylContact O-C 2.85Å; E2390-E2392 PolarHBondContact O-N 2.87Å; E2390-Q2393 PolarHBondContact O-N 3.25Å | ||
| 2391 | L | 38.1 | Very low | 40 | Very low | 63 Ų | 63 | 58.5 Ų | 58.5 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | -17.7 | 42.4 | 80.5 | -147.6 | 156.7 | 0 | 0 | 0 | 115.7 | D1147 A1522 R2388 | D1147-L2391 VanDerWaalsContact OD1-CA 3.25Å; D1147-L2391 WeakPolarHBondContact OD1-CA 3.18Å; D1147-L2391 WeakPolarHBondContact OD1-CB 3.41Å; D1147-L2391 PolarHBondContact OD1-N 3.01Å; A1522-L2391 VanDerWaalsContact CB-CA 3.4Å; A1522-L2391 HydrophobicContact CB-CB 4.18Å; A1522-L2391 HydrophobicContact CB-CD2 3.97Å; A1522-L2391 HydrophobicContact CB-CG 3.97Å; A1522-L2391 WeakPolarHBondContact CB-O 2.98Å; R2388-L2391 WeakPolarHBondContact O-CB 3.12Å | |
| 2392 | E | 32.2 | Very low | 39 | Very low | 105 Ų | 105 | 64.3 Ų | 64.3 | 49% | 0.491 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.8 | 9.4 | 168 | -55.2 | -170.1 | 174.6 | 0 | 0 | 110.9 | Q1149 A1522 A2389 E2390 N2396 | Q1149-E2392 PolarHBondContact NE2-OE1 3.14Å; A1522-E2392 VanDerWaalsContact CB-CA 3.45Å; A1522-E2392 VanDerWaalsContact N-N 3.18Å; A1522-E2392 CarbonylContact O-C 3.27Å; A2389-E2392 HydrophobicContact CB-CG 4.33Å; A2389-E2392 WeakPolarHBondContact O-CG 3.33Å; E2390-E2392 CarbonylContact O-C 2.85Å; E2390-E2392 PolarHBondContact O-N 2.87Å; E2392-N2396 VanDerWaalsContact O-O 3.11Å |
| 2393 | Q | 39.5 | Very low | 38.2 | Very low | 47 Ų | 47 | 68.8 Ų | 68.8 | 22% | 0.22 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -122.7 | -21.4 | 153.3 | -63.5 | -74.3 | -77.9 | 0 | 0 | 128.5 | D1144 L1145 T1521 A1522 A1523 E2390 N2396 T2397 | D1144-Q2393 WeakPolarHBondContact OD1-CB 3.41Å; L1145-Q2393 HydrophobicContact CD1-CB 3.5Å; L1145-Q2393 VanDerWaalsContact CD1-CB 3.5Å; L1145-Q2393 HydrophobicContact CD1-CG 3.24Å; L1145-Q2393 HydrophobicContact CD2-CG 4.43Å; L1145-Q2393 HydrophobicContact CG-CB 3.86Å; L1145-Q2393 HydrophobicContact CG-CG 3.89Å; T1521-Q2393 VanDerWaalsContact CG2-CA 3.46Å; T1521-Q2393 HydrophobicContact CG2-CB 3.39Å; A1522-Q2393 VanDerWaalsContact C-N 3.3Å; A1522-Q2393 CarbonylContact C-O 3.56Å; A1522-Q2393 VanDerWaalsContact CA-N 3.26Å; A1522-Q2393 VanDerWaalsContact N-C 3.27Å; A1522-Q2393 CarbonylContact O-C 3.25Å; A1522-Q2393 WeakPolarHBondContact O-CA 3.43Å; A1522-Q2393 PolarHBondContact O-N 3.44Å; A1523-Q2393 PolarHBondContact N-O 2.82Å; E2390-Q2393 PolarHBondContact O-N 3.25Å; Q2393-N2396 PolarHBondContact NE2-O 2.76Å; Q2393-T2397 WeakPolarHBondContact O-CA 3.24Å; Q2393-T2397 WeakPolarHBondContact O-CG2 3.45Å; Q2393-T2397 PolarHBondContact O-N 3.41Å; Q2393-T2397 VanDerWaalsContact OE1-C 3.23Å |
| 2394 | H | 35.9 | Very low | 37.2 | Very low | 70 Ų | 70 | 74.2 Ų | 74.2 | 32% | 0.324 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -106.2 | 0 | 142 | -68.4 | 70.6 | 0 | 0 | 0 | 126.4 | F1143 D1144 T1521 A1522 A1523 P1524 T2397 | F1143-H2394 AromaticContact CD1-CE1 3.58Å; F1143-H2394 AromaticContact CE1-CE1 3.26Å; F1143-H2394 WeakPolarHBondContact CE1-CE1 2.86Å; F1143-H2394 AromaticContact CE1-NE2 3.58Å; D1144-H2394 IonicContact OD2-CE1 3.29Å; D1144-H2394 PolarHBondContact OD2-CE1 3.3Å; D1144-H2394 IonicContact OD2-ND1 2.85Å; D1144-H2394 PolarHBondContact OD2-ND1 2.9Å; T1521-H2394 HydrophobicContact CG2-CB 4.5Å; T1521-H2394 CarbonylContact O-C 3.34Å; A1522-H2394 PolarHBondContact O-N 2.73Å; A1523-H2394 CarbonylContact C-O 3.54Å; A1523-H2394 CarbonylContact O-C 3.47Å; A1523-H2394 WeakPolarHBondContact O-CA 3.47Å; A1523-H2394 VanDerWaalsContact O-CB 3.24Å; A1523-H2394 WeakPolarHBondContact O-CB 3.37Å; A1523-H2394 PolarHBondContact O-CD2 3.15Å; P1524-H2394 WeakPolarHBondContact CD-O 3Å; H2394-T2397 WeakPolarHBondContact CE1-CG2 3.47Å |
| 2395 | N | 31.1 | Very low | 36 | Very low | 65 Ų | 65 | 80.7 Ų | 80.7 | 35% | 0.348 | 44% | 0.442 | S | S | . | . | S | Bend | 0 | 84.3 | 0 | 175.6 | 68.7 | 0 | 0 | 0 | 133.3 | A1522 P1524 I1525 | A1522-N2395 CarbonylContact C-O 3.13Å; A1522-N2395 VanDerWaalsContact CB-C 3.41Å; A1522-N2395 HydrophobicContact CB-CB 3.53Å; A1522-N2395 VanDerWaalsContact CB-N 3.28Å; A1522-N2395 WeakPolarHBondContact CB-O 3.19Å; A1522-N2395 CarbonylContact O-C 3.56Å; P1524-N2395 VanDerWaalsContact O-CA 3.3Å; P1524-N2395 WeakPolarHBondContact O-CA 3.32Å; P1524-N2395 WeakPolarHBondContact O-CB 3.14Å; P1524-N2395 PolarHBondContact O-OD1 2.74Å; I1525-N2395 WeakPolarHBondContact CA-OD1 3.25Å | |
| 2396 | N | 36.7 | Very low | 35.1 | Very low | 100 Ų | 100 | 84.9 Ų | 84.9 | 54% | 0.535 | 46% | 0.464 | S | S | . | . | S | Bend | trans | 83.2 | 79.7 | -146.1 | -50 | -33 | 0 | 0 | 0 | 127.5 | A1522 A1523 E2392 Q2393 | A1522-N2396 CarbonylContact O-C 3.36Å; A1522-N2396 WeakPolarHBondContact O-CA 3.45Å; A1522-N2396 PolarHBondContact O-N 3.32Å; A1523-N2396 VanDerWaalsContact N-CA 3.25Å; E2392-N2396 VanDerWaalsContact O-O 3.11Å; Q2393-N2396 PolarHBondContact NE2-O 2.76Å |
| 2397 | T | 33.1 | Very low | 34.1 | Very low | 64 Ų | 64 | 87.8 Ų | 87.8 | 39% | 0.393 | 49% | 0.487 | S | S | . | . | trans | -83.2 | 171.1 | -179.4 | 22.2 | 0 | 0 | 0 | 0 | 120.7 | A1523 Q2393 H2394 | A1523-T2397 HydrophobicContact CB-CG2 3.84Å; A1523-T2397 WeakPolarHBondContact CB-OG1 3.3Å; Q2393-T2397 WeakPolarHBondContact O-CA 3.24Å; Q2393-T2397 WeakPolarHBondContact O-CG2 3.45Å; Q2393-T2397 PolarHBondContact O-N 3.41Å; Q2393-T2397 VanDerWaalsContact OE1-C 3.23Å; H2394-T2397 WeakPolarHBondContact CE1-CG2 3.47Å | ||
| 2398 | M | 33.6 | Very low | 33.1 | Very low | 144 Ų | 144 | 89 Ų | 89 | 71% | 0.709 | 50% | 0.497 | S | S | * | . | trans | 84.1 | 128.3 | 164.4 | -55.4 | -177.6 | 178.2 | 0 | 0 | 119.3 | ||||
| 2399 | N | 36.4 | Very low | 32.1 | Very low | 148 Ų | 148 | 87.9 Ų | 87.9 | 79% | 0.791 | 50% | 0.501 | S | S | * | . | 138 | 127.4 | 128.3 | -72.4 | -60.4 | 0 | 0 | 0 | 117.7 | |||||
| 2400 | A | 32.1 | Very low | 31.2 | Very low | 95 Ų | 95 | 92.1 Ų | 92.1 | 79% | 0.785 | 52% | 0.523 | S | S | * | . | trans | 60.1 | 163.1 | 139.1 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 2401 | S | 27.7 | Very low | 31 | Very low | 100 Ų | 100 | 91.9 Ų | 91.9 | 70% | 0.699 | 53% | 0.527 | S | S | * | . | cis | -175.4 | 131.9 | -34.3 | 60.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 2402 | V | 25.8 | Very low | 30.6 | Very low | 129 Ų | 129 | 91.1 Ų | 91.1 | 78% | 0.782 | 52% | 0.523 | S | S | * | . | trans | 69.4 | 164.6 | 145 | -174.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 2403 | V | 26.1 | Very low | 30.6 | Very low | 124 Ų | 124 | 88.1 Ų | 88.1 | 75% | 0.752 | 51% | 0.51 | S | S | * | . | trans | 80.5 | 144.3 | 171.4 | -165.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 2404 | D | 27.3 | Very low | 29.8 | Very low | 125 Ų | 125 | 93 Ų | 93 | 67% | 0.668 | 53% | 0.53 | S | S | * | . | -174.1 | 165.5 | -50.3 | -95.1 | -41.9 | 0 | 0 | 0 | 108.6 | |||||
| 2405 | E | 25.9 | Very low | 29 | Very low | 162 Ų | 162 | 92.3 Ų | 92.3 | 76% | 0.757 | 54% | 0.542 | S | S | * | . | trans | 54.9 | 166.3 | 151.5 | -70.8 | 175.9 | -176.2 | 0 | 0 | 123.4 | ||||
| 2406 | N | 31.2 | Very low | 28.6 | Very low | 96 Ų | 96 | 91.3 Ų | 91.3 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | trans | 99.6 | 131.3 | 131.8 | -84.3 | -44 | 0 | 0 | 0 | 122.8 | ||||
| 2407 | A | 27.1 | Very low | 28 | Very low | 60 Ų | 60 | 91.9 Ų | 91.9 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | trans | 73.8 | 145.6 | 130.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | E2506 | A2407-E2506 PolarHBondContact N-OE1 3.14Å; A2407-E2506 VanDerWaalsContact N-OE1 3.14Å; A2407-E2506 PolarHBondContact N-OE2 2.98Å | ||
| 2408 | C | 25.5 | Very low | 27.6 | Very low | 47 Ų | 47 | 94.1 Ų | 94.1 | 32% | 0.318 | 54% | 0.538 | S | S | . | . | cis | -177.1 | 158.6 | -20 | -166 | 0 | 0 | 0 | 0 | 108.9 | S2505 E2506 | C2408-S2505 WeakPolarHBondContact CA-O 3.5Å; C2408-S2505 WeakPolarHBondContact CA-OG 3.13Å; C2408-S2505 PolarHBondContact N-OG 3.2Å; C2408-S2505 PolarHBondContact SG-O 3.46Å; C2408-S2505 VanDerWaalsContact SG-O 3.34Å; C2408-E2506 PolarHBondContact SG-O 3.18Å | ||
| 2409 | S | 26.4 | Very low | 27 | Very low | 54 Ų | 54 | 90.7 Ų | 90.7 | 38% | 0.378 | 52% | 0.517 | S | S | . | . | trans | 57.6 | 134 | 154.2 | -66.5 | 0 | 0 | 0 | 0 | 120.4 | N2503 D2504 S2505 | S2409-N2503 CarbonylContact C-O 2.84Å; S2409-N2503 VanDerWaalsContact O-CB 3.23Å; S2409-N2503 WeakPolarHBondContact O-CB 3.49Å; S2409-D2504 CarbonylContact C-O 3.39Å; S2409-D2504 WeakPolarHBondContact CA-O 3.48Å; S2409-D2504 PolarHBondContact N-O 2.92Å; S2409-S2505 PolarHBondContact N-O 3.29Å; S2409-S2505 VanDerWaalsContact N-O 3.12Å | ||
| 2410 | N | 29.2 | Very low | 26.4 | Very low | 90 Ų | 90 | 85.3 Ų | 85.3 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | 152.7 | 116.7 | 113.6 | -83.9 | -69.3 | 0 | 0 | 0 | 117.2 | N2502 N2503 | N2410-N2502 CarbonylContact O-C 3.49Å; N2410-N2502 WeakPolarHBondContact O-CB 3.06Å; N2410-N2503 CarbonylContact C-O 3.48Å; N2410-N2503 HydrophobicContact CB-CB 3.91Å; N2410-N2503 VanDerWaalsContact N-CB 3.3Å; N2410-N2503 PolarHBondContact N-O 2.93Å; N2410-N2503 WeakPolarHBondContact O-CB 3.47Å | |||
| 2411 | S | 29.3 | Very low | 26.4 | Very low | 42 Ų | 42 | 84.8 Ų | 84.8 | 29% | 0.294 | 47% | 0.474 | S | S | . | . | 64.1 | 162.1 | 120 | 86.8 | 0 | 0 | 0 | 0 | 122.6 | V2501 N2502 | S2411-V2501 CarbonylContact C-O 3.58Å; S2411-V2501 CarbonylContact O-C 3.41Å; S2411-V2501 VanDerWaalsContact O-O 3.1Å; S2411-N2502 PolarHBondContact O-N 2.71Å; S2411-N2502 PolarHBondContact O-ND2 2.83Å | |||
| 2412 | I | 30.2 | Very low | 26.3 | Very low | 47 Ų | 47 | 86.1 Ų | 86.1 | 24% | 0.241 | 47% | 0.473 | C | S | . | . | trans | 79.7 | 91.4 | 150.4 | -73.1 | 171.5 | 0 | 0 | 0 | 116.8 | H799 V2501 N2502 | H799-I2412 HydrophobicContact CB-CD1 4.25Å; H799-I2412 HydrophobicContact CB-CG1 3.71Å; H799-I2412 VanDerWaalsContact CD2-CG1 3.44Å; H799-I2412 WeakPolarHBondContact CD2-CG1 3.39Å; H799-I2412 PolarHBondContact CD2-N 2.89Å; H799-I2412 PolarHBondContact CE1-N 3.28Å; H799-I2412 PolarHBondContact ND1-N 2.96Å; H799-I2412 WeakPolarHBondContact NE2-CA 2.99Å; H799-I2412 PolarHBondContact NE2-N 3.47Å; H799-I2412 VanDerWaalsContact NE2-N 3.11Å; I2412-V2501 CarbonylContact C-O 3.58Å; I2412-V2501 CarbonylContact O-C 3.52Å; I2412-V2501 WeakPolarHBondContact O-CB 2.87Å; I2412-V2501 WeakPolarHBondContact O-CG1 3.39Å; I2412-N2502 VanDerWaalsContact CB-ND2 3.26Å; I2412-N2502 WeakPolarHBondContact CB-ND2 3.39Å; I2412-N2502 WeakPolarHBondContact CG2-ND2 3.24Å; I2412-N2502 PolarHBondContact O-ND2 3.21Å | ||
| 2413 | L | 31.6 | Very low | 26.1 | Very low | 42 Ų | 42 | 82.4 Ų | 82.4 | 22% | 0.22 | 45% | 0.449 | C | S | . | . | trans | 96.6 | 97.9 | 131 | -56.9 | -177.2 | 0 | 0 | 0 | 119.8 | N795 V797 V2501 | N795-L2413 HydrophobicContact CB-CD1 4.4Å; N795-L2413 HydrophobicContact CB-CD2 3.58Å; N795-L2413 HydrophobicContact CB-CG 4.45Å; N795-L2413 WeakPolarHBondContact ND2-CD1 3.45Å; V797-L2413 HydrophobicContact CB-CD2 4.37Å; V797-L2413 HydrophobicContact CG2-CD1 4.22Å; V797-L2413 HydrophobicContact CG2-CD2 3.93Å; L2413-V2501 WeakPolarHBondContact O-CB 3.47Å; L2413-V2501 WeakPolarHBondContact O-CG1 3.18Å; L2413-V2501 VanDerWaalsContact O-CG2 3.22Å; L2413-V2501 WeakPolarHBondContact O-CG2 3.41Å | ||
| 2414 | F | 22.8 | Very low | 26.3 | Very low | 149 Ų | 149 | 81.1 Ų | 81.1 | 65% | 0.654 | 44% | 0.443 | S | S | * | . | S | Bend | cis | 44.8 | 88.9 | 49.5 | -134.6 | -98.2 | 0 | 0 | 0 | 107.2 | R794 N795 | R794-F2414 WeakPolarHBondContact O-CD1 3.48Å; N795-F2414 WeakPolarHBondContact CA-O 3.33Å; N795-F2414 WeakPolarHBondContact CB-O 3.47Å; N795-F2414 PolarHBondContact N-O 3.01Å; N795-F2414 PolarHBondContact ND2-O 2.86Å |
| 2415 | G | 20.6 | Very low | 26.3 | Very low | 55 Ų | 55 | 80.5 Ų | 80.5 | 57% | 0.567 | 44% | 0.44 | S | S | * | . | trans | -105.2 | 101.5 | -155.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | R794 N795 | R794-G2415 WeakPolarHBondContact CA-O 2.86Å; R794-G2415 VanDerWaalsContact CB-O 3.31Å; R794-G2415 WeakPolarHBondContact CB-O 3.5Å; R794-G2415 VanDerWaalsContact CG-O 3.29Å; R794-G2415 WeakPolarHBondContact CG-O 3.43Å; N795-G2415 VanDerWaalsContact N-C 3.28Å; N795-G2415 VanDerWaalsContact ND2-CA 3.33Å; N795-G2415 WeakPolarHBondContact ND2-CA 3.01Å | ||
| 2416 | Q | 21.8 | Very low | 26.3 | Very low | 44 Ų | 44 | 75.7 Ų | 75.7 | 21% | 0.206 | 42% | 0.424 | C | S | . | . | trans | -91.1 | -174.3 | 162.8 | -59.2 | 178.6 | 37 | 0 | 0 | 108.2 | R794 N795 I2418 | R794-Q2416 HydrophobicContact CB-CB 3.75Å; R794-Q2416 HydrophobicContact CB-CG 3.33Å; R794-Q2416 HydrophobicContact CG-CB 4.16Å; R794-Q2416 HydrophobicContact CG-CG 4.11Å; N795-Q2416 HydrophobicContact CB-CB 3.89Å; N795-Q2416 HydrophobicContact CB-CG 3.62Å; N795-Q2416 PolarHBondContact ND2-N 3.2Å; N795-Q2416 WeakPolarHBondContact O-CG 3Å; N795-Q2416 PolarHBondContact O-NE2 3.19Å; N795-Q2416 VanDerWaalsContact OD1-CB 3.24Å; N795-Q2416 WeakPolarHBondContact OD1-CB 3.45Å; N795-Q2416 PolarHBondContact OD1-N 3.47Å; Q2416-I2418 PolarHBondContact O-N 2.76Å | ||
| 2417 | R | 23.8 | Very low | 26.1 | Very low | 113 Ų | 113 | 77.3 Ų | 77.3 | 43% | 0.426 | 43% | 0.433 | S | S | . | . | trans | 58.6 | 63.7 | 144.6 | -79.8 | 163.2 | -178.4 | -167.2 | 4.5 | 109.2 | R2419 | R2417-R2419 HydrophobicContact CB-CG 4.21Å; R2417-R2419 HydrophobicContact CG-CB 4.47Å; R2417-R2419 HydrophobicContact CG-CG 3.48Å; R2417-R2419 VanDerWaalsContact CG-CG 3.48Å | ||
| 2418 | I | 24.8 | Very low | 25.8 | Very low | 110 Ų | 110 | 76.8 Ų | 76.8 | 56% | 0.564 | 43% | 0.425 | S | S | * | . | S | Bend | cis | -92.6 | 114.9 | 44.6 | -65.3 | 171.9 | 0 | 0 | 0 | 112.8 | Q2416 V2421 | Q2416-I2418 PolarHBondContact O-N 2.76Å; I2418-V2421 HydrophobicContact CD1-CG2 4.38Å; I2418-V2421 HydrophobicContact CG1-CG2 4.06Å; I2418-V2421 HydrophobicContact CG2-CB 4.12Å; I2418-V2421 HydrophobicContact CG2-CG2 4.11Å |
| 2419 | R | 22.4 | Very low | 25.7 | Very low | 72 Ų | 72 | 81.1 Ų | 81.1 | 27% | 0.272 | 44% | 0.435 | S | S | . | . | cis | 69.6 | 157.8 | 48.6 | -89.1 | -170.2 | 166.5 | -77.7 | -11.8 | 110.7 | E719 R2417 V2421 | E719-R2419 CarbonylContact O-C 3.53Å; R2417-R2419 HydrophobicContact CB-CG 4.21Å; R2417-R2419 HydrophobicContact CG-CB 4.47Å; R2417-R2419 HydrophobicContact CG-CG 3.48Å; R2417-R2419 VanDerWaalsContact CG-CG 3.48Å; R2419-V2421 VanDerWaalsContact C-N 3.31Å; R2419-V2421 HydrophobicContact CB-CG2 3.91Å | ||
| 2420 | E | 23.5 | Very low | 25.8 | Very low | 35 Ų | 35 | 81.2 Ų | 81.2 | 16% | 0.164 | 43% | 0.43 | C | S | . | . | S | Bend | cis | 60.3 | 32.6 | 38.5 | -34.3 | -178.8 | 106.8 | 0 | 0 | 113 | E718 E719 | E718-E2420 HydrophobicContact CB-CB 3.53Å; E718-E2420 HydrophobicContact CB-CG 3.54Å; E718-E2420 HydrophobicContact CG-CB 4.33Å; E718-E2420 WeakPolarHBondContact OE2-CB 3.36Å; E719-E2420 PolarHBondContact O-N 3.11Å; E719-E2420 PolarHBondContact OE1-N 2.65Å; E719-E2420 VanDerWaalsContact OE2-C 3.27Å; E719-E2420 WeakPolarHBondContact OE2-CA 3.16Å; E719-E2420 PolarHBondContact OE2-N 2.68Å |
| 2421 | V | 32 | Very low | 25.6 | Very low | 84 Ų | 84 | 80 Ų | 80 | 51% | 0.509 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -135.4 | 70.2 | 163.8 | -168.5 | 0 | 0 | 0 | 0 | 108.8 | E719 I2418 R2419 | E719-V2421 PolarHBondContact OE1-N 3.27Å; E719-V2421 PolarHBondContact OE2-N 3.26Å; I2418-V2421 HydrophobicContact CD1-CG2 4.38Å; I2418-V2421 HydrophobicContact CG1-CG2 4.06Å; I2418-V2421 HydrophobicContact CG2-CB 4.12Å; I2418-V2421 HydrophobicContact CG2-CG2 4.11Å; R2419-V2421 VanDerWaalsContact C-N 3.31Å; R2419-V2421 HydrophobicContact CB-CG2 3.91Å |
| 2422 | L | 24.1 | Very low | 25.4 | Very low | 129 Ų | 129 | 83.1 Ų | 83.1 | 68% | 0.675 | 43% | 0.434 | S | S | * | . | trans | 139.8 | 74.5 | 161.9 | -74.5 | 163.7 | 0 | 0 | 0 | 111.4 | E719 P2424 | E719-L2422 VanDerWaalsContact CD-C 3.42Å; E719-L2422 PolarHBondContact OE1-N 2.82Å; E719-L2422 VanDerWaalsContact OE1-N 3.14Å; E719-L2422 WeakPolarHBondContact OE2-CA 3.46Å; E719-L2422 PolarHBondContact OE2-N 3.15Å; L2422-P2424 WeakPolarHBondContact O-CD 3.18Å | ||
| 2423 | N | 23.3 | Very low | 25.3 | Very low | 51 Ų | 51 | 85 Ų | 85 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | trans | -72.2 | 115.3 | 140 | -126.5 | -54.6 | 0 | 0 | 0 | 107.2 | E718 E719 D744 | E718-N2423 HydrophobicContact CG-CB 3.81Å; E718-N2423 WeakPolarHBondContact CG-ND2 3.09Å; E718-N2423 PolarHBondContact N-ND2 2.83Å; E719-N2423 PolarHBondContact OE2-N 3.35Å; D744-N2423 PolarHBondContact N-ND2 3.04Å | ||
| 2424 | P | 30.6 | Very low | 25.1 | Very low | 97 Ų | 97 | 91.5 Ų | 91.5 | 63% | 0.63 | 47% | 0.466 | S | S | * | . | trans | -92.4 | 114.5 | 153.3 | 32.8 | -30.2 | 0 | 0 | 0 | 109.4 | L2422 | L2422-P2424 WeakPolarHBondContact O-CD 3.18Š| ||
| 2425 | D | 27 | Very low | 25.2 | Very low | 112 Ų | 112 | 89.2 Ų | 89.2 | 60% | 0.599 | 47% | 0.469 | S | S | * | . | trans | 17.1 | 141.6 | 150.4 | -74.5 | -31.9 | 0 | 0 | 0 | 121.5 | ||||
| 2426 | S | 25.8 | Very low | 25.6 | Very low | 60 Ų | 60 | 89.6 Ų | 89.6 | 42% | 0.42 | 46% | 0.463 | S | S | . | . | trans | 2.3 | 136.6 | 137.7 | 37.3 | 0 | 0 | 0 | 0 | 117.2 | H743 | H743-S2426 WeakPolarHBondContact CE1-CB 3.14Å; H743-S2426 PolarHBondContact CE1-N 3.26Å; H743-S2426 WeakPolarHBondContact NE2-CA 3.24Å; H743-S2426 VanDerWaalsContact NE2-CB 3.34Å; H743-S2426 WeakPolarHBondContact NE2-CB 3.48Å; H743-S2426 PolarHBondContact NE2-N 3.31Å | ||
| 2427 | D | 26 | Very low | 25.8 | Very low | 131 Ų | 131 | 93.4 Ų | 93.4 | 70% | 0.701 | 49% | 0.485 | S | S | * | . | cis | -111 | 156.6 | 44.2 | -94.5 | -55.6 | 0 | 0 | 0 | 113.6 | ||||
| 2428 | S | 22 | Very low | 26 | Very low | 48 Ų | 48 | 93.4 Ų | 93.4 | 34% | 0.336 | 49% | 0.493 | S | S | . | . | 50.4 | 155.2 | 64.5 | 118.5 | 0 | 0 | 0 | 0 | 113.6 | I2430 | S2428-I2430 PolarHBondContact O-N 3.39Š| |||
| 2429 | R | 23.1 | Very low | 26.1 | Very low | 138 Ų | 138 | 95.7 Ų | 95.7 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | trans | 51.1 | 60.2 | 170.9 | -62.8 | 179.9 | -174.9 | -170.3 | 4.8 | 116.5 | L767 L768 S769 T770 | L767-R2429 HydrophobicContact CB-CG 4.38Å; L767-R2429 HydrophobicContact CD1-CG 3.81Å; L767-R2429 HydrophobicContact CD2-CG 4.15Å; L767-R2429 HydrophobicContact CG-CG 4.3Å; L768-R2429 WeakPolarHBondContact O-CG 3.25Å; S769-R2429 CarbonylContact C-O 3.18Å; S769-R2429 VanDerWaalsContact N-C 3.31Å; S769-R2429 PolarHBondContact N-O 3.35Å; S769-R2429 VanDerWaalsContact N-O 3.09Å; T770-R2429 PolarHBondContact N-O 3.19Å | ||
| 2430 | I | 27.7 | Very low | 26.5 | Very low | 56 Ų | 56 | 98.1 Ų | 98.1 | 29% | 0.287 | 52% | 0.516 | S | S | . | . | 55.5 | -173.6 | 76.2 | -45.9 | 159.1 | 0 | 0 | 0 | 112.4 | T740 L767 S769 S2428 K2432 | T740-I2430 HydrophobicContact CG2-CG1 4.38Å; L767-I2430 HydrophobicContact CB-CB 4.32Å; L767-I2430 HydrophobicContact CB-CD1 4.16Å; L767-I2430 VanDerWaalsContact O-CG2 3.29Å; L767-I2430 WeakPolarHBondContact O-CG2 3.39Å; S769-I2430 PolarHBondContact N-O 3.25Å; S2428-I2430 PolarHBondContact O-N 3.39Å; I2430-K2432 HydrophobicContact CG2-CB 4.31Å | |||
| 2431 | V | 25.6 | Very low | 26.9 | Very low | 64 Ų | 64 | 100.4 Ų | 100.4 | 39% | 0.388 | 53% | 0.528 | S | S | . | . | trans | 93.3 | 94.2 | -147.2 | -178.2 | 0 | 0 | 0 | 0 | 105.8 | L768 | L768-V2431 HydrophobicContact CB-CG2 4.09Å; L768-V2431 HydrophobicContact CD2-CG2 4.46Å; L768-V2431 HydrophobicContact CG-CG2 4.05Å; L768-V2431 VanDerWaalsContact N-N 3.12Å | ||
| 2432 | K | 24 | Very low | 27 | Very low | 108 Ų | 108 | 102.5 Ų | 102.5 | 47% | 0.47 | 53% | 0.533 | S | S | . | . | cis | 69.2 | 115.3 | 22.5 | -161 | -156.9 | 172.4 | -67.3 | 0 | 113.9 | L768 I2430 | L768-K2432 HydrophobicContact CD1-CD 3.96Å; I2430-K2432 HydrophobicContact CG2-CB 4.31Å | ||
| 2433 | D | 29.4 | Very low | 27.4 | Very low | 86 Ų | 86 | 102.9 Ų | 102.9 | 46% | 0.46 | 53% | 0.531 | S | S | . | . | S | Bend | trans | 61.1 | -160.1 | -169.6 | -38 | -25.8 | 0 | 0 | 0 | 110.5 | ||
| 2434 | R | 26.1 | Very low | 28 | Very low | 179 Ų | 179 | 106.4 Ų | 106.4 | 68% | 0.675 | 55% | 0.549 | S | S | * | . | trans | 43.3 | 97.8 | 140.7 | -65.9 | 160.9 | -126.6 | -103.1 | -3 | 115.9 | ||||
| 2435 | S | 24.7 | Very low | 28.1 | Very low | 102 Ų | 102 | 106.9 Ų | 106.9 | 71% | 0.713 | 55% | 0.55 | S | S | * | . | cis | -140.8 | 122.5 | 18 | -75.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 2436 | S | 30.4 | Very low | 28.3 | Very low | 63 Ų | 63 | 104.6 Ų | 104.6 | 44% | 0.441 | 54% | 0.537 | S | S | . | . | 90.8 | 158.2 | 72.1 | -65.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 2437 | N | 25.4 | Very low | 28.4 | Very low | 123 Ų | 123 | 105.7 Ų | 105.7 | 66% | 0.658 | 54% | 0.536 | S | S | * | . | 47.5 | 156.7 | 59.3 | 3.2 | -48.8 | 0 | 0 | 0 | 112.6 | |||||
| 2438 | D | 28.6 | Very low | 28.4 | Very low | 114 Ų | 114 | 102.4 Ų | 102.4 | 61% | 0.61 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 65.3 | 61.3 | -178 | -29.5 | -32.5 | 0 | 0 | 0 | 111.6 | ||
| 2439 | H | 25.5 | Very low | 28.6 | Very low | 158 Ų | 158 | 105.8 Ų | 105.8 | 73% | 0.731 | 52% | 0.524 | S | S | * | . | S | Bend | cis | -135.7 | 131.5 | 15.9 | -80.8 | -77 | 0 | 0 | 0 | 109.7 | ||
| 2440 | E | 31 | Very low | 28.6 | Very low | 122 Ų | 122 | 100 Ų | 100 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | 64.5 | 127.4 | 75.2 | -67 | -171.8 | 151.9 | 0 | 0 | 111.7 | |||||
| 2441 | I | 32.5 | Very low | 28.7 | Very low | 84 Ų | 84 | 99.4 Ų | 99.4 | 43% | 0.431 | 50% | 0.503 | S | S | . | . | cis | -157.5 | 146.4 | 6.7 | -130.6 | 166.2 | 0 | 0 | 0 | 111.5 | L932 | L932-I2441 HydrophobicContact CD2-CG2 4.13Š| ||
| 2442 | Q | 33.2 | Very low | 29 | Very low | 128 Ų | 128 | 99.2 Ų | 99.2 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | trans | 40.8 | 137.9 | 147.6 | -65.2 | 171.8 | -71.2 | 0 | 0 | 120 | ||||
| 2443 | E | 33 | Very low | 29.3 | Very low | 136 Ų | 136 | 95.4 Ų | 95.4 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | cis | -171.2 | 179.2 | 10.1 | -129.2 | 166.4 | -156.1 | 0 | 0 | 113.5 | ||||
| 2444 | I | 37.2 | Very low | 29 | Very low | 126 Ų | 126 | 97.1 Ų | 97.1 | 65% | 0.646 | 50% | 0.5 | S | S | * | . | 14.2 | 130.7 | 127.4 | -77.6 | 166.2 | 0 | 0 | 0 | 117 | |||||
| 2445 | T | 32.1 | Very low | 29.3 | Very low | 107 Ų | 107 | 92.1 Ų | 92.1 | 66% | 0.656 | 48% | 0.484 | S | S | * | . | cis | -161.4 | -136.6 | -21.8 | 1.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 2446 | D | 30.9 | Very low | 29.7 | Very low | 63 Ų | 63 | 90.8 Ų | 90.8 | 34% | 0.337 | 47% | 0.466 | S | S | . | . | 108.3 | 158.9 | 84.7 | -98.1 | -1.9 | 0 | 0 | 0 | 112.7 | F903 Q904 | F903-D2446 WeakPolarHBondContact CA-OD1 3.01Å; F903-D2446 WeakPolarHBondContact CB-OD1 3.19Å; F903-D2446 WeakPolarHBondContact CD1-OD2 2.98Å; F903-D2446 PolarHBondContact N-OD1 2.93Å; F903-D2446 CarbonylContact O-C 2.78Å; F903-D2446 VanDerWaalsContact O-CA 3.26Å; F903-D2446 WeakPolarHBondContact O-CA 3.45Å; Q904-D2446 VanDerWaalsContact C-CB 3.44Å; Q904-D2446 PolarHBondContact N-OD1 3.1Å; Q904-D2446 PolarHBondContact N-OD2 3.18Å | |||
| 2447 | H | 28.4 | Very low | 29.4 | Very low | 84 Ų | 84 | 91.4 Ų | 91.4 | 39% | 0.389 | 47% | 0.47 | S | S | . | . | B | Isolated β-bridge | trans | -60.5 | -172.9 | -155.1 | -26 | -67.8 | 0 | 0 | 0 | 117.6 | F903 Q904 K905 | F903-H2447 VanDerWaalsContact C-CE1 3.43Å; F903-H2447 VanDerWaalsContact CA-CE1 3.45Å; F903-H2447 WeakPolarHBondContact CA-CE1 3.15Å; F903-H2447 WeakPolarHBondContact O-CA 3.35Å; F903-H2447 PolarHBondContact O-CE1 3.09Å; F903-H2447 PolarHBondContact O-N 3.44Å; F903-H2447 PolarHBondContact O-ND1 2.87Å; Q904-H2447 VanDerWaalsContact CA-CD2 3.4Å; Q904-H2447 WeakPolarHBondContact CA-CD2 3.44Å; Q904-H2447 HydrophobicContact CB-CB 4.37Å; Q904-H2447 WeakPolarHBondContact CB-CD2 3.47Å; Q904-H2447 VanDerWaalsContact CG-CD2 3.42Å; Q904-H2447 WeakPolarHBondContact CG-CD2 3.46Å; Q904-H2447 PolarHBondContact NE2-CD2 2.89Å; Q904-H2447 PolarHBondContact NE2-NE2 3.05Å; K905-H2447 WeakPolarHBondContact CA-O 3.48Å; K905-H2447 PolarHBondContact N-O 2.74Å |
| 2448 | N | 26.4 | Very low | 29.4 | Very low | 61 Ų | 61 | 89.9 Ų | 89.9 | 33% | 0.326 | 46% | 0.461 | S | S | . | . | 98.8 | 100.8 | 127.6 | -93.5 | 25.8 | 0 | 0 | 0 | 118.3 | Q904 K905 | Q904-N2448 HydrophobicContact CG-CB 4.41Å; K905-N2448 HydrophobicContact CG-CB 3.99Å | |||
| 2449 | Y | 25.5 | Very low | 29.4 | Very low | 119 Ų | 119 | 88.9 Ų | 88.9 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | trans | 59.6 | -148.1 | 133.8 | -69.8 | -91 | 0 | 0 | 0 | 116.2 | D1444 V1445 | D1444-Y2449 HydrophobicContact CB-CD1 4.33Å; D1444-Y2449 VanDerWaalsContact OD1-CB 3.29Å; D1444-Y2449 WeakPolarHBondContact OD1-CB 3.47Å; V1445-Y2449 HydrophobicContact CB-CD1 4.45Å; V1445-Y2449 HydrophobicContact CG1-CD1 3.94Å; V1445-Y2449 HydrophobicContact CG1-CE1 3.89Å | ||
| 2450 | T | 22.6 | Very low | 29.5 | Very low | 17 Ų | 17 | 83.6 Ų | 83.6 | 10% | 0.104 | 43% | 0.433 | C | S | . | . | trans | -104.8 | -178 | -136.1 | -30.5 | 0 | 0 | 0 | 0 | 115.8 | D1444 V1445 S1446 | D1444-T2450 WeakPolarHBondContact CA-OG1 3.33Å; D1444-T2450 WeakPolarHBondContact CB-OG1 3.41Å; D1444-T2450 VanDerWaalsContact CG-OG1 3.29Å; D1444-T2450 WeakPolarHBondContact OD1-CB 2.91Å; D1444-T2450 PolarHBondContact OD1-N 2.97Å; D1444-T2450 PolarHBondContact OD1-OG1 3.01Å; V1445-T2450 WeakPolarHBondContact CA-OG1 3.4Å; V1445-T2450 PolarHBondContact N-OG1 3.01Å; S1446-T2450 VanDerWaalsContact CA-OG1 3.23Å; S1446-T2450 WeakPolarHBondContact CA-OG1 3.21Å; S1446-T2450 WeakPolarHBondContact CB-OG1 3.14Å | ||
| 2451 | V | 29.5 | Very low | 29.8 | Very low | 43 Ų | 43 | 81.8 Ų | 81.8 | 26% | 0.261 | 43% | 0.426 | S | S | . | . | trans | 68.1 | -170.4 | 166.1 | -145.2 | 0 | 0 | 0 | 0 | 110.5 | N1443 G2453 | N1443-V2451 HydrophobicContact CB-CG2 3.73Å; N1443-V2451 VanDerWaalsContact OD1-CG1 3.25Å; N1443-V2451 WeakPolarHBondContact OD1-CG1 3.29Å; N1443-V2451 VanDerWaalsContact OD1-CG2 3.32Å; N1443-V2451 WeakPolarHBondContact OD1-CG2 3.5Å; V2451-G2453 PolarHBondContact O-N 2.91Å | ||
| 2452 | N | 32.2 | Very low | 29.4 | Very low | 61 Ų | 61 | 81.7 Ų | 81.7 | 33% | 0.326 | 43% | 0.43 | S | S | . | . | trans | 54.2 | 43.5 | 139.5 | -72.1 | -3.7 | 0 | 0 | 0 | 115.7 | D907 S908 | D907-N2452 PolarHBondContact OD1-ND2 2.92Å; S908-N2452 WeakPolarHBondContact CA-O 2.92Å; S908-N2452 VanDerWaalsContact CB-CB 3.48Å; S908-N2452 WeakPolarHBondContact CB-ND2 3.33Å; S908-N2452 PolarHBondContact N-O 3.2Å | ||
| 2453 | G | 30.1 | Very low | 29.7 | Very low | 28 Ų | 28 | 79.8 Ų | 79.8 | 29% | 0.289 | 42% | 0.424 | S | S | . | . | 71.9 | 59.5 | 56.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F909 R910 V2451 | F909-G2453 CarbonylContact C-O 3.4Å; F909-G2453 VanDerWaalsContact CA-O 3.24Å; F909-G2453 WeakPolarHBondContact CA-O 3.05Å; F909-G2453 PolarHBondContact N-O 2.92Å; R910-G2453 PolarHBondContact N-O 3.03Å; R910-G2453 VanDerWaalsContact N-O 3.13Å; V2451-G2453 PolarHBondContact O-N 2.91Å | |||
| 2454 | L | 23.9 | Very low | 29.7 | Very low | 121 Ų | 121 | 77 Ų | 77 | 63% | 0.634 | 42% | 0.419 | S | S | * | . | trans | 54.8 | 86.6 | 169.8 | -71.4 | 65.8 | 0 | 0 | 0 | 114.6 | F909 R910 K2456 | F909-L2454 PolarHBondContact N-O 2.8Å; R910-L2454 HydrophobicContact CB-CB 3.89Å; R910-L2454 HydrophobicContact CB-CD2 4.47Å; R910-L2454 VanDerWaalsContact CZ-O 3.26Å; R910-L2454 PolarHBondContact NE-O 3.1Å; R910-L2454 PolarHBondContact NH2-O 3.48Å; L2454-K2456 PolarHBondContact O-N 3.42Å | ||
| 2455 | Q | 31.6 | Very low | 29 | Very low | 74 Ų | 74 | 79.4 Ų | 79.4 | 35% | 0.346 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -56.3 | -33.1 | 170.8 | -170.5 | -174.1 | 103.1 | 0 | 0 | 113.3 | D907 S908 R910 | D907-Q2455 WeakPolarHBondContact O-CB 3.36Å; D907-Q2455 VanDerWaalsContact O-CG 3.3Å; D907-Q2455 WeakPolarHBondContact O-CG 2.96Å; D907-Q2455 PolarHBondContact O-NE2 2.67Å; S908-Q2455 WeakPolarHBondContact O-CA 3.26Å; R910-Q2455 PolarHBondContact NH1-O 2.85Å; R910-Q2455 PolarHBondContact NH2-O 3.29Å |
| 2456 | K | 34.5 | Very low | 28.7 | Very low | 74 Ų | 74 | 80 Ų | 80 | 32% | 0.322 | 42% | 0.42 | S | S | . | . | trans | -158.2 | 144.2 | -164.4 | -89.8 | 161 | -167.3 | 161.5 | 0 | 106.1 | L932 L933 L2454 L2458 | L932-K2456 PolarHBondContact O-NZ 3.07Å; L933-K2456 PolarHBondContact O-NZ 3.45Å; L2454-K2456 PolarHBondContact O-N 3.42Å; K2456-L2458 CarbonylContact C-O 3.56Å; K2456-L2458 VanDerWaalsContact CB-N 3.32Å | ||
| 2457 | S | 23.9 | Very low | 28.4 | Very low | 76 Ų | 76 | 84 Ų | 84 | 53% | 0.531 | 44% | 0.437 | S | S | . | . | cis | 53.8 | 39.1 | 2.3 | 94.2 | 0 | 0 | 0 | 0 | 115.9 | R910 | R910-S2457 PolarHBondContact NH1-OG 3.46Š| ||
| 2458 | L | 25.3 | Very low | 28.3 | Very low | 91 Ų | 91 | 86.1 Ų | 86.1 | 48% | 0.476 | 45% | 0.45 | S | S | . | . | -111.2 | 168.8 | 92.5 | -77.5 | 101.6 | 0 | 0 | 0 | 107.2 | K2456 L2460 | K2456-L2458 CarbonylContact C-O 3.56Å; K2456-L2458 VanDerWaalsContact CB-N 3.32Å; L2458-L2460 HydrophobicContact CB-CB 4.42Å; L2458-L2460 HydrophobicContact CB-CD1 4.13Å; L2458-L2460 HydrophobicContact CB-CG 3.77Å; L2458-L2460 HydrophobicContact CD2-CD1 4.44Å; L2458-L2460 HydrophobicContact CD2-CD2 3.99Å; L2458-L2460 HydrophobicContact CD2-CG 3.76Å; L2458-L2460 HydrophobicContact CG-CG 4.27Å | |||
| 2459 | L | 28.4 | Very low | 28.1 | Very low | 94 Ų | 94 | 87.1 Ų | 87.1 | 49% | 0.492 | 46% | 0.462 | S | S | . | . | cis | 57.6 | -168.5 | 33.6 | -176 | 61.5 | 0 | 0 | 0 | 109.4 | T925 L2461 | T925-L2459 HydrophobicContact CG2-CD1 3.56Å; L2459-L2461 HydrophobicContact CD1-CD2 3.96Å; L2459-L2461 HydrophobicContact CD1-CG 4.05Å; L2459-L2461 HydrophobicContact CG-CG 4.5Å | ||
| 2460 | L | 26.6 | Very low | 28.1 | Very low | 47 Ų | 47 | 86.5 Ų | 86.5 | 25% | 0.246 | 46% | 0.463 | C | S | . | . | trans | 62.8 | 83.1 | -162.6 | -58.2 | 171.3 | 0 | 0 | 0 | 105.9 | L926 S927 R928 L2458 | L926-L2460 CarbonylContact O-C 3.5Å; S927-L2460 CarbonylContact C-O 3.55Å; S927-L2460 WeakPolarHBondContact CA-O 2.72Å; R928-L2460 VanDerWaalsContact C-C 3.44Å; R928-L2460 CarbonylContact C-O 3.51Å; R928-L2460 PolarHBondContact N-O 3.3Å; R928-L2460 CarbonylContact O-C 3.46Å; R928-L2460 VanDerWaalsContact O-CA 3.27Å; R928-L2460 WeakPolarHBondContact O-CA 3.17Å; R928-L2460 WeakPolarHBondContact O-CB 2.99Å; L2458-L2460 HydrophobicContact CB-CB 4.42Å; L2458-L2460 HydrophobicContact CB-CD1 4.13Å; L2458-L2460 HydrophobicContact CB-CG 3.77Å; L2458-L2460 HydrophobicContact CD2-CD1 4.44Å; L2458-L2460 HydrophobicContact CD2-CD2 3.99Å; L2458-L2460 HydrophobicContact CD2-CG 3.76Å; L2458-L2460 HydrophobicContact CG-CG 4.27Å | ||
| 2461 | L | 38.7 | Very low | 28.1 | Very low | 84 Ų | 84 | 86.9 Ų | 86.9 | 44% | 0.44 | 47% | 0.466 | S | S | . | . | cis | 116.1 | 18.6 | 47.2 | -72.3 | 169.5 | 0 | 0 | 0 | 123 | L926 S927 R928 L2459 | L926-L2461 VanDerWaalsContact C-N 3.26Å; L926-L2461 HydrophobicContact CB-CD2 4.35Å; L926-L2461 HydrophobicContact CD1-CD2 4.15Å; L926-L2461 WeakPolarHBondContact O-CA 3.38Å; L926-L2461 PolarHBondContact O-N 3.41Å; S927-L2461 VanDerWaalsContact C-N 3.32Å; R928-L2461 HydrophobicContact CB-CB 3.86Å; R928-L2461 WeakPolarHBondContact CB-O 3.27Å; L2459-L2461 HydrophobicContact CD1-CD2 3.96Å; L2459-L2461 HydrophobicContact CD1-CG 4.05Å; L2459-L2461 HydrophobicContact CG-CG 4.5Å | ||
| 2462 | T | 23.5 | Very low | 27.9 | Very low | 82 Ų | 82 | 84.9 Ų | 84.9 | 50% | 0.503 | 45% | 0.454 | S | S | . | . | S | Bend | trans | 86.9 | 48.8 | -167.8 | 69.3 | 0 | 0 | 0 | 0 | 126.1 | L926 S927 R928 | L926-T2462 HydrophobicContact CB-CG2 4.48Å; L926-T2462 HydrophobicContact CD2-CG2 3.48Å; L926-T2462 VanDerWaalsContact CD2-CG2 3.48Å; S927-T2462 VanDerWaalsContact C-CA 3.46Å; S927-T2462 VanDerWaalsContact N-N 3.18Å; S927-T2462 CarbonylContact O-C 2.83Å; S927-T2462 WeakPolarHBondContact O-CA 3.39Å; S927-T2462 PolarHBondContact O-N 2.71Å; R928-T2462 VanDerWaalsContact CB-CA 3.47Å; R928-T2462 PolarHBondContact NH1-O 3.12Å |
| 2463 | N | 40.1 | Very low | 27.6 | Very low | 88 Ų | 88 | 83.3 Ų | 83.3 | 47% | 0.471 | 45% | 0.446 | S | S | . | . | B | Isolated β-bridge | trans | -159.1 | 138.7 | 159 | -72.3 | -18 | 0 | 0 | 0 | 109.2 | S927 R928 G929 | S927-N2463 CarbonylContact C-O 3.58Å; S927-N2463 CarbonylContact O-C 3.46Å; S927-N2463 WeakPolarHBondContact O-CA 3.48Å; S927-N2463 PolarHBondContact O-N 2.9Å; R928-N2463 WeakPolarHBondContact CA-O 3.38Å; R928-N2463 HydrophobicContact CB-CB 4.12Å; R928-N2463 HydrophobicContact CG-CB 3.81Å; R928-N2463 VanDerWaalsContact CZ-ND2 3.31Å; R928-N2463 PolarHBondContact N-O 3.45Å; R928-N2463 VanDerWaalsContact N-O 3.09Å; R928-N2463 VanDerWaalsContact NH1-CG 3.34Å; R928-N2463 PolarHBondContact NH1-OD1 3.27Å; R928-N2463 PolarHBondContact NH2-ND2 3.02Å; G929-N2463 PolarHBondContact N-O 2.74Å |
| 2464 | S | 31.5 | Very low | 27.4 | Very low | 77 Ų | 77 | 85 Ų | 85 | 54% | 0.538 | 45% | 0.448 | S | S | . | . | S | Bend | trans | 76 | 145.5 | 177.8 | 85.5 | 0 | 0 | 0 | 0 | 118.1 | S927 | S927-S2464 WeakPolarHBondContact CB-O 3.49Š|
| 2465 | F | 23 | Very low | 27.4 | Very low | 176 Ų | 176 | 84 Ų | 84 | 77% | 0.772 | 44% | 0.439 | S | S | * | . | trans | 61.8 | 95.4 | -176.5 | -89.4 | -81.9 | 0 | 0 | 0 | 120.2 | ||||
| 2466 | H | 27.1 | Very low | 27.2 | Very low | 120 Ų | 120 | 81.2 Ų | 81.2 | 56% | 0.556 | 43% | 0.426 | S | S | * | . | trans | 60.1 | 151.2 | 135.2 | -90.8 | -36.8 | 0 | 0 | 0 | 123 | R1452 | R1452-H2466 PolarHBondContact NH2-NE2 3.03Š| ||
| 2467 | E | 22.6 | Very low | 26.5 | Very low | 147 Ų | 147 | 78.5 Ų | 78.5 | 69% | 0.687 | 42% | 0.415 | S | S | * | . | trans | 58.6 | 91.6 | 161.4 | -68.3 | 165.3 | -149.7 | 0 | 0 | 115.5 | ||||
| 2468 | I | 27.3 | Very low | 26.7 | Very low | 128 Ų | 128 | 75.6 Ų | 75.6 | 66% | 0.656 | 39% | 0.394 | S | S | * | . | cis | 48.2 | 63.1 | 18.2 | -48.1 | -174.5 | 0 | 0 | 0 | 111.8 | ||||
| 2469 | S | 21.8 | Very low | 26.9 | Very low | 83 Ų | 83 | 72.1 Ų | 72.1 | 58% | 0.58 | 38% | 0.375 | S | S | * | . | trans | -124.8 | 141.1 | 153.4 | 65.5 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 2470 | H | 25.7 | Very low | 26.7 | Very low | 105 Ų | 105 | 67.8 Ų | 67.8 | 49% | 0.486 | 35% | 0.353 | S | S | . | . | trans | 60.6 | 129.8 | -146.2 | -49.8 | -25.5 | 0 | 0 | 0 | 110.2 | L2481 | H2470-L2481 VanDerWaalsContact CE1-CD1 3.46Å; H2470-L2481 WeakPolarHBondContact CE1-CD1 3.34Å | ||
| 2471 | S | 22.4 | Very low | 27.2 | Very low | 25 Ų | 25 | 67.7 Ų | 67.7 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | cis | 168 | -157.6 | 9.7 | 56.3 | 0 | 0 | 0 | 0 | 104.5 | N2473 | S2471-N2473 WeakPolarHBondContact CB-ND2 3.28Å; S2471-N2473 VanDerWaalsContact CB-OD1 3.26Å; S2471-N2473 WeakPolarHBondContact CB-OD1 3.1Å; S2471-N2473 PolarHBondContact OG-ND2 3.17Å | ||
| 2472 | P | 26.7 | Very low | 26.7 | Very low | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.013 | 35% | 0.348 | C | S | . | . | cis | -54.7 | 154.4 | -11.5 | -21.7 | 36.4 | 0 | 0 | 0 | 111.6 | Q1957 E1960 E1964 N2474 | Q1957-P2472 WeakPolarHBondContact CA-O 3.43Å; E1960-P2472 HydrophobicContact CB-CB 3.6Å; E1960-P2472 HydrophobicContact CB-CG 3.62Å; E1960-P2472 HydrophobicContact CG-CB 4.38Å; E1960-P2472 WeakPolarHBondContact O-CD 3.44Å; E1960-P2472 WeakPolarHBondContact O-CG 3.43Å; E1960-P2472 WeakPolarHBondContact OE2-CB 3.43Å; E1964-P2472 HydrophobicContact CB-CG 4.34Å; E1964-P2472 VanDerWaalsContact CD-CG 3.47Å; E1964-P2472 HydrophobicContact CG-CG 3.43Å; E1964-P2472 VanDerWaalsContact CG-CG 3.43Å; P2472-N2474 HydrophobicContact CB-CB 3.82Å; P2472-N2474 VanDerWaalsContact CB-N 3.32Å | ||
| 2473 | N | 24.4 | Very low | 26.9 | Very low | 28 Ų | 28 | 62.5 Ų | 62.5 | 15% | 0.15 | 32% | 0.324 | C | S | . | . | cis | 74.2 | -3.3 | 8.6 | -57.9 | -2.9 | 0 | 0 | 0 | 118.5 | K1462 H1463 S2471 H2476 N2477 | K1462-N2473 VanDerWaalsContact CD-OD1 3.24Å; K1462-N2473 WeakPolarHBondContact CD-OD1 3.43Å; K1462-N2473 WeakPolarHBondContact CE-OD1 3.12Å; K1462-N2473 PolarHBondContact NZ-OD1 2.91Å; H1463-N2473 VanDerWaalsContact NE2-C 3.28Å; H1463-N2473 VanDerWaalsContact NE2-CA 3.34Å; H1463-N2473 WeakPolarHBondContact NE2-CA 3.32Å; S2471-N2473 WeakPolarHBondContact CB-ND2 3.28Å; S2471-N2473 VanDerWaalsContact CB-OD1 3.26Å; S2471-N2473 WeakPolarHBondContact CB-OD1 3.1Å; S2471-N2473 PolarHBondContact OG-ND2 3.17Å; N2473-H2476 PolarHBondContact O-N 3.3Å; N2473-N2477 HydrophobicContact CB-CB 3.67Å; N2473-N2477 VanDerWaalsContact CG-ND2 3.25Å; N2473-N2477 PolarHBondContact ND2-ND2 2.62Å; N2473-N2477 VanDerWaalsContact ND2-ND2 3.13Å | ||
| 2474 | N | 27 | Very low | 26.4 | Very low | 63 Ų | 63 | 59.8 Ų | 59.8 | 34% | 0.337 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 129.3 | -177.2 | -72.9 | -12.1 | 0 | 0 | 0 | 111.2 | E1960 P2472 | E1960-N2474 VanDerWaalsContact CD-CB 3.49Å; E1960-N2474 HydrophobicContact CG-CB 4.36Å; E1960-N2474 WeakPolarHBondContact OE1-CB 3.1Å; E1960-N2474 PolarHBondContact OE2-N 2.72Å; P2472-N2474 HydrophobicContact CB-CB 3.82Å; P2472-N2474 VanDerWaalsContact CB-N 3.32Å |
| 2475 | F | 23.3 | Very low | 26 | Very low | 100 Ų | 100 | 60.8 Ų | 60.8 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -116.8 | 111.9 | -23.1 | -138.4 | -109.4 | 0 | 0 | 0 | 109.6 | M1464 Q1465 | M1464-F2475 VanDerWaalsContact CE-O 3.27Å; M1464-F2475 WeakPolarHBondContact CE-O 3.49Å; M1464-F2475 VanDerWaalsContact CG-O 3.32Å; M1464-F2475 WeakPolarHBondContact CG-O 3.45Å; Q1465-F2475 WeakPolarHBondContact CG-O 3.27Å; Q1465-F2475 PolarHBondContact NE2-O 2.76Å; Q1465-F2475 VanDerWaalsContact NE2-O 3.08Å |
| 2476 | H | 27.9 | Very low | 26.5 | Very low | 15 Ų | 15 | 57.4 Ų | 57.4 | 7% | 0.069 | 30% | 0.301 | C | S | . | . | trans | 96.3 | 69.6 | 166.3 | -60.3 | -11.8 | 0 | 0 | 0 | 116.6 | H1463 M1464 Q1465 P1466 N2473 V2478 | H1463-H2476 WeakPolarHBondContact CA-O 3.13Å; H1463-H2476 PolarHBondContact N-O 3.31Å; M1464-H2476 WeakPolarHBondContact CA-O 3.13Å; Q1465-H2476 HydrophobicContact CG-CB 4.06Å; Q1465-H2476 PolarHBondContact NE2-CD2 2.72Å; Q1465-H2476 PolarHBondContact OE1-CD2 2.67Å; P1466-H2476 PolarHBondContact O-CD2 3.37Å; N2473-H2476 PolarHBondContact O-N 3.3Å; H2476-V2478 HydrophobicContact CB-CB 3.42Å; H2476-V2478 VanDerWaalsContact CB-CB 3.42Å; H2476-V2478 HydrophobicContact CB-CG1 3.71Å; H2476-V2478 HydrophobicContact CB-CG2 4.42Å; H2476-V2478 WeakPolarHBondContact CB-O 3.33Å; H2476-V2478 WeakPolarHBondContact CD2-CG1 3.5Å; H2476-V2478 VanDerWaalsContact ND1-CB 3.31Å; H2476-V2478 WeakPolarHBondContact ND1-CB 3.16Å; H2476-V2478 WeakPolarHBondContact ND1-CG2 3.06Å; H2476-V2478 WeakPolarHBondContact NE2-CG1 3.46Å; H2476-V2478 PolarHBondContact O-N 3.31Å | ||
| 2477 | N | 20.2 | Very low | 27.5 | Very low | 18 Ų | 18 | 52.1 Ų | 52.1 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | 14.8 | 34.1 | 55 | -173.5 | 61.6 | 0 | 0 | 0 | 114.7 | K1462 H1463 N2473 S2480 L2481 | K1462-N2477 HydrophobicContact CB-CB 3.85Å; K1462-N2477 HydrophobicContact CD-CB 3.97Å; K1462-N2477 HydrophobicContact CG-CB 3.86Å; K1462-N2477 WeakPolarHBondContact CG-OD1 3.2Å; K1462-N2477 PolarHBondContact NZ-OD1 2.74Å; H1463-N2477 PolarHBondContact CD2-N 3.5Å; H1463-N2477 VanDerWaalsContact N-N 3.11Å; N2473-N2477 HydrophobicContact CB-CB 3.67Å; N2473-N2477 VanDerWaalsContact CG-ND2 3.25Å; N2473-N2477 PolarHBondContact ND2-ND2 2.62Å; N2473-N2477 VanDerWaalsContact ND2-ND2 3.13Å; N2477-S2480 CarbonylContact C-O 3.53Å; N2477-S2480 VanDerWaalsContact CA-O 3.29Å; N2477-S2480 WeakPolarHBondContact CA-O 3.36Å; N2477-S2480 PolarHBondContact OD1-O 3.16Å; N2477-S2480 VanDerWaalsContact OD1-O 3.08Å; N2477-L2481 VanDerWaalsContact C-N 3.31Å; N2477-L2481 PolarHBondContact O-N 2.81Å; N2477-L2481 VanDerWaalsContact O-O 3.08Å; N2477-L2481 PolarHBondContact OD1-N 2.97Å | |||
| 2478 | V | 26.9 | Very low | 27.9 | Very low | 15 Ų | 15 | 50.2 Ų | 50.2 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | trans | -173.8 | 117.2 | -172.8 | 137.8 | 0 | 0 | 0 | 0 | 103.6 | P1466 D1467 E2327 N2331 H2476 | P1466-V2478 WeakPolarHBondContact O-CG1 3.46Å; D1467-V2478 HydrophobicContact CB-CG1 4.1Å; E2327-V2478 PolarHBondContact OE1-N 3.44Å; E2327-V2478 VanDerWaalsContact OE1-O 3.06Å; N2331-V2478 HydrophobicContact CB-CG1 4.12Å; N2331-V2478 VanDerWaalsContact ND2-C 3.33Å; N2331-V2478 WeakPolarHBondContact ND2-CG1 3.31Å; N2331-V2478 PolarHBondContact ND2-O 3.47Å; H2476-V2478 HydrophobicContact CB-CB 3.42Å; H2476-V2478 VanDerWaalsContact CB-CB 3.42Å; H2476-V2478 HydrophobicContact CB-CG1 3.71Å; H2476-V2478 HydrophobicContact CB-CG2 4.42Å; H2476-V2478 WeakPolarHBondContact CB-O 3.33Å; H2476-V2478 WeakPolarHBondContact CD2-CG1 3.5Å; H2476-V2478 VanDerWaalsContact ND1-CB 3.31Å; H2476-V2478 WeakPolarHBondContact ND1-CB 3.16Å; H2476-V2478 WeakPolarHBondContact ND1-CG2 3.06Å; H2476-V2478 WeakPolarHBondContact NE2-CG1 3.46Å; H2476-V2478 PolarHBondContact O-N 3.31Å | ||
| 2479 | Q | 29.4 | Very low | 27.9 | Very low | 18 Ų | 18 | 45.7 Ų | 45.7 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | S | Bend | cis | -69.5 | -20.9 | 0.6 | -119.9 | 164.8 | 111.8 | 0 | 0 | 115.6 | D1467 E2327 C2330 N2331 G2334 L2481 T2482 D2483 | D1467-Q2479 PolarHBondContact OD2-NE2 3.11Å; E2327-Q2479 VanDerWaalsContact C-N 3.32Å; E2327-Q2479 PolarHBondContact O-N 3.37Å; E2327-Q2479 PolarHBondContact OE1-N 3.05Å; C2330-Q2479 PolarHBondContact O-OE1 3.4Å; N2331-Q2479 HydrophobicContact CB-CB 3.23Å; N2331-Q2479 HydrophobicContact CB-CG 4.03Å; N2331-Q2479 VanDerWaalsContact CG-N 3.25Å; N2331-Q2479 PolarHBondContact ND2-N 3.49Å; N2331-Q2479 WeakPolarHBondContact OD1-CA 3.24Å; N2331-Q2479 WeakPolarHBondContact OD1-CB 3.27Å; N2331-Q2479 PolarHBondContact OD1-N 3.35Å; G2334-Q2479 VanDerWaalsContact CA-OE1 3.29Å; Q2479-L2481 VanDerWaalsContact CG-O 3.26Å; Q2479-L2481 WeakPolarHBondContact CG-O 2.97Å; Q2479-L2481 CarbonylContact O-C 3.58Å; Q2479-L2481 WeakPolarHBondContact O-CA 3.09Å; Q2479-L2481 PolarHBondContact O-N 3.29Å; Q2479-L2481 VanDerWaalsContact O-N 3.17Å; Q2479-T2482 VanDerWaalsContact CG-C 3.43Å; Q2479-T2482 WeakPolarHBondContact CG-O 3.24Å; Q2479-T2482 CarbonylContact O-C 3.38Å; Q2479-T2482 WeakPolarHBondContact O-CA 3.32Å; Q2479-T2482 PolarHBondContact O-N 2.76Å; Q2479-D2483 HydrophobicContact CB-CB 4.24Å; Q2479-D2483 WeakPolarHBondContact CB-OD2 3.47Å; Q2479-D2483 WeakPolarHBondContact O-CA 3.3Å; Q2479-D2483 PolarHBondContact O-N 3.23Å |
| 2480 | S | 25 | Very low | 28.6 | Very low | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -89.4 | 73.9 | -177.4 | 100.1 | 0 | 0 | 0 | 0 | 110.1 | H1461 K1462 E2327 N2477 S2484 | H1461-S2480 WeakPolarHBondContact CA-OG 3.4Å; H1461-S2480 PolarHBondContact ND1-O 3.11Å; H1461-S2480 PolarHBondContact ND1-OG 3.36Å; H1461-S2480 VanDerWaalsContact ND1-OG 3.16Å; K1462-S2480 WeakPolarHBondContact CA-O 3.45Å; K1462-S2480 WeakPolarHBondContact CG-O 3.13Å; K1462-S2480 PolarHBondContact N-O 3.41Å; K1462-S2480 PolarHBondContact N-OG 2.74Å; E2327-S2480 VanDerWaalsContact CD-CB 3.47Å; E2327-S2480 PolarHBondContact OE1-N 3.3Å; E2327-S2480 WeakPolarHBondContact OE2-CB 3.4Å; E2327-S2480 PolarHBondContact OE2-OG 2.62Å; N2477-S2480 CarbonylContact C-O 3.53Å; N2477-S2480 VanDerWaalsContact CA-O 3.29Å; N2477-S2480 WeakPolarHBondContact CA-O 3.36Å; N2477-S2480 PolarHBondContact OD1-O 3.16Å; N2477-S2480 VanDerWaalsContact OD1-O 3.08Å; S2480-S2484 WeakPolarHBondContact CB-OG 3.49Å |
| 2481 | L | 36.9 | Very low | 28.8 | Very low | 45 Ų | 45 | 51.2 Ų | 51.2 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | S | Bend | cis | -122.7 | 142 | 37.4 | -75.3 | 167.2 | 0 | 0 | 0 | 116.2 | H1461 H2470 N2477 Q2479 | H1461-L2481 WeakPolarHBondContact CE1-CD2 3.42Å; H1461-L2481 WeakPolarHBondContact CE1-CG 3.48Å; H1461-L2481 VanDerWaalsContact NE2-CG 3.35Å; H1461-L2481 WeakPolarHBondContact NE2-CG 3.48Å; H2470-L2481 VanDerWaalsContact CE1-CD1 3.46Å; H2470-L2481 WeakPolarHBondContact CE1-CD1 3.34Å; N2477-L2481 VanDerWaalsContact C-N 3.31Å; N2477-L2481 PolarHBondContact O-N 2.81Å; N2477-L2481 VanDerWaalsContact O-O 3.08Å; N2477-L2481 PolarHBondContact OD1-N 2.97Å; Q2479-L2481 VanDerWaalsContact CG-O 3.26Å; Q2479-L2481 WeakPolarHBondContact CG-O 2.97Å; Q2479-L2481 CarbonylContact O-C 3.58Å; Q2479-L2481 WeakPolarHBondContact O-CA 3.09Å; Q2479-L2481 PolarHBondContact O-N 3.29Å; Q2479-L2481 VanDerWaalsContact O-N 3.17Å |
| 2482 | T | 27.3 | Very low | 29.1 | Very low | 58 Ų | 58 | 53.6 Ų | 53.6 | 36% | 0.356 | 28% | 0.281 | S | S | . | . | S | Bend | cis | -119.1 | 113 | -17.9 | 47.8 | 0 | 0 | 0 | 0 | 114.3 | C2330 Q2479 L2485 | C2330-T2482 CarbonylContact C-O 3.46Å; Q2479-T2482 VanDerWaalsContact CG-C 3.43Å; Q2479-T2482 WeakPolarHBondContact CG-O 3.24Å; Q2479-T2482 CarbonylContact O-C 3.38Å; Q2479-T2482 WeakPolarHBondContact O-CA 3.32Å; Q2479-T2482 PolarHBondContact O-N 2.76Å; T2482-L2485 VanDerWaalsContact C-C 3.49Å; T2482-L2485 CarbonylContact C-O 3.36Å; T2482-L2485 VanDerWaalsContact CB-CB 3.41Å; T2482-L2485 HydrophobicContact CG2-CB 3.71Å; T2482-L2485 HydrophobicContact CG2-CD1 3.49Å; T2482-L2485 VanDerWaalsContact CG2-CD1 3.49Å; T2482-L2485 HydrophobicContact CG2-CG 4.23Å |
| 2483 | D | 27.8 | Very low | 29.1 | Very low | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | S | Bend | cis | 79.6 | -100.1 | -9.9 | -15.7 | -102.5 | 0 | 0 | 0 | 120 | A2326 Q2329 C2330 N2331 Q2479 L2485 N2486 G2487 | A2326-D2483 HydrophobicContact CB-CB 4.38Å; A2326-D2483 VanDerWaalsContact CB-O 3.28Å; A2326-D2483 WeakPolarHBondContact CB-O 3.49Å; A2326-D2483 CarbonylContact O-C 3.13Å; A2326-D2483 VanDerWaalsContact O-CA 3.24Å; A2326-D2483 WeakPolarHBondContact O-CA 3.29Å; A2326-D2483 WeakPolarHBondContact O-CB 3.36Å; Q2329-D2483 WeakPolarHBondContact CA-OD1 3.31Å; Q2329-D2483 PolarHBondContact N-OD1 2.86Å; Q2329-D2483 PolarHBondContact N-OD2 2.74Å; C2330-D2483 WeakPolarHBondContact CA-OD2 3.11Å; C2330-D2483 VanDerWaalsContact CB-OD1 3.23Å; C2330-D2483 WeakPolarHBondContact CB-OD1 3.2Å; C2330-D2483 WeakPolarHBondContact CB-OD2 3.36Å; C2330-D2483 PolarHBondContact N-OD1 3.41Å; C2330-D2483 PolarHBondContact N-OD2 3.12Å; C2330-D2483 PolarHBondContact SG-OD1 3.47Å; N2331-D2483 WeakPolarHBondContact CA-OD2 3.27Å; N2331-D2483 PolarHBondContact N-OD2 2.78Å; N2331-D2483 PolarHBondContact OD1-OD2 3Å; Q2479-D2483 HydrophobicContact CB-CB 4.24Å; Q2479-D2483 WeakPolarHBondContact CB-OD2 3.47Å; Q2479-D2483 WeakPolarHBondContact O-CA 3.3Å; Q2479-D2483 PolarHBondContact O-N 3.23Å; D2483-L2485 VanDerWaalsContact C-CA 3.48Å; D2483-L2485 PolarHBondContact N-O 3.38Å; D2483-L2485 CarbonylContact O-C 3.16Å; D2483-L2485 VanDerWaalsContact O-CA 3.26Å; D2483-L2485 WeakPolarHBondContact O-CA 3.49Å; D2483-L2485 PolarHBondContact O-N 2.62Å; D2483-N2486 VanDerWaalsContact C-N 3.32Å; D2483-N2486 CarbonylContact O-C 3.44Å; D2483-N2486 WeakPolarHBondContact O-CA 3.1Å; D2483-N2486 PolarHBondContact O-N 3.03Å; D2483-N2486 WeakPolarHBondContact OD1-CA 3.15Å; D2483-N2486 PolarHBondContact OD1-N 2.82Å; D2483-G2487 WeakPolarHBondContact CB-O 3.34Å; D2483-G2487 PolarHBondContact O-N 2.94Å; D2483-G2487 PolarHBondContact OD1-N 2.71Å |
| 2484 | S | 31 | Very low | 29.1 | Very low | 31 Ų | 31 | 63.7 Ų | 63.7 | 22% | 0.217 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 73.2 | 173.7 | -61.4 | 0 | 0 | 0 | 0 | 103.5 | E2323 A2326 S2480 | E2323-S2484 WeakPolarHBondContact CB-OG 3.4Å; E2323-S2484 PolarHBondContact O-OG 2.87Å; A2326-S2484 PolarHBondContact O-N 2.9Å; A2326-S2484 PolarHBondContact O-OG 2.83Å; S2480-S2484 WeakPolarHBondContact CB-OG 3.49Å |
| 2485 | L | 22.9 | Very low | 29 | Very low | 98 Ų | 98 | 69.8 Ų | 69.8 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111.6 | 49.1 | -130.5 | -74.4 | 162.6 | 0 | 0 | 0 | 119 | C2330 T2482 D2483 | C2330-L2485 WeakPolarHBondContact CB-O 3.39Å; T2482-L2485 VanDerWaalsContact C-C 3.49Å; T2482-L2485 CarbonylContact C-O 3.36Å; T2482-L2485 VanDerWaalsContact CB-CB 3.41Å; T2482-L2485 HydrophobicContact CG2-CB 3.71Å; T2482-L2485 HydrophobicContact CG2-CD1 3.49Å; T2482-L2485 VanDerWaalsContact CG2-CD1 3.49Å; T2482-L2485 HydrophobicContact CG2-CG 4.23Å; D2483-L2485 VanDerWaalsContact C-CA 3.48Å; D2483-L2485 PolarHBondContact N-O 3.38Å; D2483-L2485 CarbonylContact O-C 3.16Å; D2483-L2485 VanDerWaalsContact O-CA 3.26Å; D2483-L2485 WeakPolarHBondContact O-CA 3.49Å; D2483-L2485 PolarHBondContact O-N 2.62Å |
| 2486 | N | 32.8 | Very low | 29.5 | Very low | 104 Ų | 104 | 66.9 Ų | 66.9 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -162 | 82.6 | 26.3 | -50 | -85.9 | 0 | 0 | 0 | 115.1 | C2330 D2483 | C2330-N2486 PolarHBondContact SG-N 3.17Å; C2330-N2486 VanDerWaalsContact SG-N 3.43Å; D2483-N2486 VanDerWaalsContact C-N 3.32Å; D2483-N2486 CarbonylContact O-C 3.44Å; D2483-N2486 WeakPolarHBondContact O-CA 3.1Å; D2483-N2486 PolarHBondContact O-N 3.03Å; D2483-N2486 WeakPolarHBondContact OD1-CA 3.15Å; D2483-N2486 PolarHBondContact OD1-N 2.82Å |
| 2487 | G | 47.3 | Very low | 29.5 | Very low | 10 Ų | 10 | 71.1 Ų | 71.1 | 10% | 0.103 | 37% | 0.366 | C | S | . | . | trans | 92.6 | -144.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115 | V2325 A2326 E2328 Q2329 D2483 | V2325-G2487 CarbonylContact O-C 2.92Å; V2325-G2487 WeakPolarHBondContact O-CA 3.45Å; A2326-G2487 VanDerWaalsContact CA-O 3.3Å; A2326-G2487 WeakPolarHBondContact CA-O 3.31Å; A2326-G2487 VanDerWaalsContact CB-CA 3.48Å; E2328-G2487 CarbonylContact C-O 3.23Å; E2328-G2487 VanDerWaalsContact CA-O 3.29Å; E2328-G2487 WeakPolarHBondContact CA-O 3.42Å; E2328-G2487 PolarHBondContact N-O 3.04Å; Q2329-G2487 PolarHBondContact N-O 2.81Å; D2483-G2487 WeakPolarHBondContact CB-O 3.34Å; D2483-G2487 PolarHBondContact O-N 2.94Å; D2483-G2487 PolarHBondContact OD1-N 2.71Å | ||
| 2488 | L | 32.3 | Very low | 29.6 | Very low | 106 Ų | 106 | 79.3 Ų | 79.3 | 56% | 0.555 | 40% | 0.395 | S | S | * | . | cis | -163.3 | 3.4 | -16.6 | -127.8 | 173.5 | 0 | 0 | 0 | 111.5 | V2325 Q2329 K2490 | V2325-L2488 WeakPolarHBondContact O-CA 3.17Å; V2325-L2488 PolarHBondContact O-N 2.72Å; V2325-L2488 VanDerWaalsContact O-N 3.1Å; Q2329-L2488 HydrophobicContact CB-CB 3.83Å; Q2329-L2488 VanDerWaalsContact CB-N 3.34Å; Q2329-L2488 HydrophobicContact CG-CB 3.52Å; L2488-K2490 VanDerWaalsContact O-CE 3.27Å; L2488-K2490 WeakPolarHBondContact O-CE 3.41Å; L2488-K2490 PolarHBondContact O-NZ 3.46Å | ||
| 2489 | C | 27 | Very low | 29.3 | Very low | 34 Ų | 34 | 84.2 Ų | 84.2 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | trans | -150.2 | 97.6 | -169.1 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | E2328 Q2329 R2332 K2491 | E2328-C2489 VanDerWaalsContact CB-O 3.23Å; E2328-C2489 WeakPolarHBondContact CB-O 3.02Å; E2328-C2489 VanDerWaalsContact CG-O 3.28Å; E2328-C2489 WeakPolarHBondContact CG-O 2.92Å; Q2329-C2489 HydrophobicContact CG-CB 3.8Å; R2332-C2489 VanDerWaalsContact CZ-SG 3.57Å; R2332-C2489 PolarHBondContact NH1-O 3.27Å; R2332-C2489 VanDerWaalsContact NH2-CB 3.35Å; R2332-C2489 PolarHBondContact NH2-O 2.72Å; C2489-K2491 PolarHBondContact O-N 3.22Å | ||
| 2490 | K | 36.8 | Very low | 28.9 | Very low | 133 Ų | 133 | 91.1 Ų | 91.1 | 58% | 0.578 | 45% | 0.45 | S | S | * | . | 49.8 | 67.3 | 93 | -49.1 | 146.6 | -164.3 | 147.3 | 0 | 112.3 | E2328 L2488 | E2328-K2490 WeakPolarHBondContact OE1-CA 3.5Å; E2328-K2490 PolarHBondContact OE1-N 3.27Å; E2328-K2490 PolarHBondContact OE2-N 2.93Å; L2488-K2490 VanDerWaalsContact O-CE 3.27Å; L2488-K2490 WeakPolarHBondContact O-CE 3.41Å; L2488-K2490 PolarHBondContact O-NZ 3.46Å | |||
| 2491 | K | 29.6 | Very low | 29.5 | Very low | 171 Ų | 171 | 93.7 Ų | 93.7 | 74% | 0.743 | 47% | 0.466 | S | S | * | . | 164.2 | 141.7 | 107.4 | -90.9 | -168.2 | 173.7 | -166.8 | 0 | 112.2 | E2328 C2489 | E2328-K2491 PolarHBondContact OE1-N 3.25Å; C2489-K2491 PolarHBondContact O-N 3.22Å | |||
| 2492 | S | 28 | Very low | 29 | Very low | 74 Ų | 74 | 93.9 Ų | 93.9 | 52% | 0.517 | 47% | 0.467 | S | S | . | . | trans | 64.3 | 150.9 | 162.2 | 68.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2493 | N | 27.5 | Very low | 29.2 | Very low | 105 Ų | 105 | 94.6 Ų | 94.6 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | cis | 59.3 | 140.1 | 41.2 | -135 | 2.4 | 0 | 0 | 0 | 107.7 | ||||
| 2494 | H | 24.5 | Very low | 29.3 | Very low | 138 Ų | 138 | 99.4 Ų | 99.4 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | cis | -145.3 | 127.5 | 21.4 | -58.3 | -110.2 | 0 | 0 | 0 | 107.9 | S2496 | H2494-S2496 PolarHBondContact O-N 3.45Š| ||
| 2495 | F | 25.6 | Very low | 29.3 | Very low | 190 Ų | 190 | 101 Ų | 101 | 83% | 0.833 | 51% | 0.506 | S | S | * | . | trans | 31.1 | 62.4 | 164.8 | -79.9 | -105.5 | 0 | 0 | 0 | 114.7 | H2497 | F2495-H2497 PolarHBondContact O-N 2.92Š| ||
| 2496 | S | 33.6 | Very low | 29.6 | Very low | 39 Ų | 39 | 100.6 Ų | 100.6 | 27% | 0.273 | 50% | 0.501 | S | S | . | . | cis | 52.4 | 26.8 | 49.5 | -64.2 | 0 | 0 | 0 | 0 | 113.9 | Q1465 H2494 | Q1465-S2496 VanDerWaalsContact OE1-CB 3.25Å; Q1465-S2496 PolarHBondContact OE1-OG 3.02Å; H2494-S2496 PolarHBondContact O-N 3.45Å | ||
| 2497 | H | 27 | Very low | 29.2 | Very low | 105 Ų | 105 | 103 Ų | 103 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | S | Bend | trans | 68 | 148.7 | 171.3 | -75.8 | 21.7 | 0 | 0 | 0 | 116.5 | F2495 | F2495-H2497 PolarHBondContact O-N 2.92Š|
| 2498 | R | 23.2 | Very low | 28.8 | Very low | 190 Ų | 190 | 107.4 Ų | 107.4 | 72% | 0.717 | 53% | 0.533 | S | S | * | . | S | Bend | cis | -165.5 | 157.1 | -24 | -117.7 | -178.9 | -173.6 | 147.7 | 4.5 | 105.8 | ||
| 2499 | L | 20.8 | Very low | 28.5 | Very low | 118 Ų | 118 | 106.9 Ų | 106.9 | 62% | 0.618 | 54% | 0.535 | S | S | * | . | cis | -90.3 | 162.5 | -14.4 | -101.2 | 164.2 | 0 | 0 | 0 | 107.8 | V2501 | L2499-V2501 VanDerWaalsContact C-CG2 3.47Å; L2499-V2501 HydrophobicContact CB-CG2 3.66Å; L2499-V2501 WeakPolarHBondContact O-CG2 3.28Å; L2499-V2501 PolarHBondContact O-N 2.79Å; L2499-V2501 VanDerWaalsContact O-N 3.12Å | ||
| 2500 | F | 20.3 | Very low | 28.2 | Very low | 162 Ų | 162 | 112.4 Ų | 112.4 | 71% | 0.711 | 56% | 0.562 | S | S | * | * | 59 | -104.3 | 116.6 | -134 | -118.5 | 0 | 0 | 0 | 107.3 | N2502 | F2500-N2502 HydrophobicContact CD1-CB 3.64Å; F2500-N2502 WeakPolarHBondContact CD1-OD1 3.45Å; F2500-N2502 HydrophobicContact CE1-CB 3.83Å; F2500-N2502 WeakPolarHBondContact CE1-OD1 3.29Å | |||
| 2501 | V | 38.2 | Very low | 27.9 | Very low | 56 Ų | 56 | 112 Ų | 112 | 34% | 0.339 | 57% | 0.566 | S | S | . | * | cis | -118 | 94.5 | -39.6 | -144.9 | 0 | 0 | 0 | 0 | 102.2 | S2411 I2412 L2413 L2499 | S2411-V2501 CarbonylContact C-O 3.58Å; S2411-V2501 CarbonylContact O-C 3.41Å; S2411-V2501 VanDerWaalsContact O-O 3.1Å; I2412-V2501 CarbonylContact C-O 3.58Å; I2412-V2501 CarbonylContact O-C 3.52Å; I2412-V2501 WeakPolarHBondContact O-CB 2.87Å; I2412-V2501 WeakPolarHBondContact O-CG1 3.39Å; L2413-V2501 WeakPolarHBondContact O-CB 3.47Å; L2413-V2501 WeakPolarHBondContact O-CG1 3.18Å; L2413-V2501 VanDerWaalsContact O-CG2 3.22Å; L2413-V2501 WeakPolarHBondContact O-CG2 3.41Å; L2499-V2501 VanDerWaalsContact C-CG2 3.47Å; L2499-V2501 HydrophobicContact CB-CG2 3.66Å; L2499-V2501 WeakPolarHBondContact O-CG2 3.28Å; L2499-V2501 PolarHBondContact O-N 2.79Å; L2499-V2501 VanDerWaalsContact O-N 3.12Å | ||
| 2502 | N | 24.9 | Very low | 28.1 | Very low | 50 Ų | 50 | 108.7 Ų | 108.7 | 27% | 0.267 | 56% | 0.562 | S | S | . | * | S | Bend | cis | -126.2 | -152.9 | 1.8 | -45.8 | -81.9 | 0 | 0 | 0 | 109.4 | N2410 S2411 I2412 F2500 | N2410-N2502 CarbonylContact O-C 3.49Å; N2410-N2502 WeakPolarHBondContact O-CB 3.06Å; S2411-N2502 PolarHBondContact O-N 2.71Å; S2411-N2502 PolarHBondContact O-ND2 2.83Å; I2412-N2502 VanDerWaalsContact CB-ND2 3.26Å; I2412-N2502 WeakPolarHBondContact CB-ND2 3.39Å; I2412-N2502 WeakPolarHBondContact CG2-ND2 3.24Å; I2412-N2502 PolarHBondContact O-ND2 3.21Å; F2500-N2502 HydrophobicContact CD1-CB 3.64Å; F2500-N2502 WeakPolarHBondContact CD1-OD1 3.45Å; F2500-N2502 HydrophobicContact CE1-CB 3.83Å; F2500-N2502 WeakPolarHBondContact CE1-OD1 3.29Å |
| 2503 | N | 32.4 | Very low | 27.9 | Very low | 73 Ų | 73 | 112.8 Ų | 112.8 | 39% | 0.39 | 57% | 0.573 | S | S | . | * | trans | 19.5 | 121.5 | 157 | -56.5 | 26 | 0 | 0 | 0 | 119.3 | S2409 N2410 | S2409-N2503 CarbonylContact C-O 2.84Å; S2409-N2503 VanDerWaalsContact O-CB 3.23Å; S2409-N2503 WeakPolarHBondContact O-CB 3.49Å; N2410-N2503 CarbonylContact C-O 3.48Å; N2410-N2503 HydrophobicContact CB-CB 3.91Å; N2410-N2503 VanDerWaalsContact N-CB 3.3Å; N2410-N2503 PolarHBondContact N-O 2.93Å; N2410-N2503 WeakPolarHBondContact O-CB 3.47Å | ||
| 2504 | D | 30.2 | Very low | 27.7 | Very low | 100 Ų | 100 | 113.6 Ų | 113.6 | 54% | 0.535 | 58% | 0.577 | S | S | . | * | 68 | 104.6 | 111.2 | -44.9 | -23.4 | 0 | 0 | 0 | 117.7 | S2409 | S2409-D2504 CarbonylContact C-O 3.39Å; S2409-D2504 WeakPolarHBondContact CA-O 3.48Å; S2409-D2504 PolarHBondContact N-O 2.92Å | |||
| 2505 | S | 30.5 | Very low | 27.7 | Very low | 66 Ų | 66 | 112.4 Ų | 112.4 | 46% | 0.462 | 58% | 0.575 | S | S | . | * | 56.7 | 153.2 | 103.7 | 84.5 | 0 | 0 | 0 | 0 | 123.7 | C2408 S2409 | C2408-S2505 WeakPolarHBondContact CA-O 3.5Å; C2408-S2505 WeakPolarHBondContact CA-OG 3.13Å; C2408-S2505 PolarHBondContact N-OG 3.2Å; C2408-S2505 PolarHBondContact SG-O 3.46Å; C2408-S2505 VanDerWaalsContact SG-O 3.34Å; S2409-S2505 PolarHBondContact N-O 3.29Å; S2409-S2505 VanDerWaalsContact N-O 3.12Å | |||
| 2506 | E | 28.7 | Very low | 27.5 | Very low | 88 Ų | 88 | 112 Ų | 112 | 41% | 0.411 | 57% | 0.569 | S | S | . | * | trans | 64.1 | 70.1 | 143 | -70.5 | 156.8 | 121.2 | 0 | 0 | 118.3 | A2407 C2408 | A2407-E2506 PolarHBondContact N-OE1 3.14Å; A2407-E2506 VanDerWaalsContact N-OE1 3.14Å; A2407-E2506 PolarHBondContact N-OE2 2.98Å; C2408-E2506 PolarHBondContact SG-O 3.18Å | ||
| 2507 | H | 24.2 | Very low | 27.4 | Very low | 156 Ų | 156 | 115.1 Ų | 115.1 | 72% | 0.722 | 59% | 0.587 | S | S | * | * | S | Bend | -150.8 | 150.4 | 125.8 | -114.7 | -72.4 | 0 | 0 | 0 | 109.6 | V2509 | H2507-V2509 PolarHBondContact O-N 3.46Š| |
| 2508 | V | 39.6 | Very low | 27.2 | Very low | 101 Ų | 101 | 113.3 Ų | 113.3 | 61% | 0.612 | 58% | 0.583 | S | S | * | * | trans | 43.9 | 61.3 | 164.9 | -166.3 | 0 | 0 | 0 | 0 | 111.7 | D2511 | V2508-D2511 HydrophobicContact CG1-CB 4.42Š| ||
| 2509 | V | 25.7 | Very low | 27.2 | Very low | 96 Ų | 96 | 109.1 Ų | 109.1 | 58% | 0.582 | 58% | 0.583 | S | S | * | * | 47.4 | 92.8 | 57.5 | 174.9 | 0 | 0 | 0 | 0 | 109 | H2507 D2511 | H2507-V2509 PolarHBondContact O-N 3.46Å; V2509-D2511 PolarHBondContact O-N 3.1Å | |||
| 2510 | D | 21.4 | Very low | 27.3 | Very low | 149 Ų | 149 | 106.3 Ų | 106.3 | 80% | 0.797 | 58% | 0.583 | S | S | * | * | 51.9 | 18 | 129.2 | -44 | -40.9 | 0 | 0 | 0 | 118.5 | |||||
| 2511 | D | 30.2 | Very low | 27.5 | Very low | 124 Ų | 124 | 106.3 Ų | 106.3 | 66% | 0.663 | 59% | 0.589 | S | S | * | * | trans | -62.4 | 144.8 | 170.8 | -101.6 | -34 | 0 | 0 | 0 | 109.9 | V2508 V2509 E2513 | V2508-D2511 HydrophobicContact CG1-CB 4.42Å; V2509-D2511 PolarHBondContact O-N 3.1Å; D2511-E2513 PolarHBondContact O-N 2.79Å | ||
| 2512 | P | 33 | Very low | 26.9 | Very low | 103 Ų | 103 | 107.4 Ų | 107.4 | 67% | 0.669 | 61% | 0.612 | S | S | * | * | trans | -62.8 | 133.8 | -140 | -30.7 | 38.7 | 0 | 0 | 0 | 114 | ||||
| 2513 | E | 23.9 | Very low | 26.8 | Very low | 160 Ų | 160 | 109.9 Ų | 109.9 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | 50.8 | 146.8 | 57.3 | -74.7 | -140.7 | 128.1 | 0 | 0 | 112.9 | D2511 | D2511-E2513 PolarHBondContact O-N 2.79Š| |||
| 2514 | L | 23 | Very low | 26.2 | Very low | 122 Ų | 122 | 110.4 Ų | 110.4 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | trans | 60.3 | 160.3 | -160.2 | -63 | 91.3 | 0 | 0 | 0 | 109.4 | Y2516 | L2514-Y2516 HydrophobicContact CD2-CD2 4.49Š| ||
| 2515 | N | 24.5 | Very low | 26.9 | Very low | 113 Ų | 113 | 109.3 Ų | 109.3 | 60% | 0.604 | 64% | 0.639 | S | S | * | * | 46.4 | 142.2 | 59.8 | -13.5 | -66.1 | 0 | 0 | 0 | 111.8 | |||||
| 2516 | Y | 23.3 | Very low | 26.8 | Very low | 180 Ų | 180 | 110.2 Ų | 110.2 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | cis | -157 | -169.6 | 29.8 | -112.2 | -46.6 | 0 | 0 | 0 | 110.2 | L2514 T2518 | L2514-Y2516 HydrophobicContact CD2-CD2 4.49Å; Y2516-T2518 PolarHBondContact O-N 3.42Å | ||
| 2517 | T | 31.5 | Very low | 27.6 | Very low | 106 Ų | 106 | 110.5 Ų | 110.5 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | trans | 51.2 | 55.9 | 147.1 | 49.3 | 0 | 0 | 0 | 0 | 115.3 | S2519 | T2517-S2519 CarbonylContact O-C 3.17Å; T2517-S2519 PolarHBondContact O-N 3.4Å | ||
| 2518 | T | 22.6 | Very low | 28.1 | Very low | 67 Ų | 67 | 105 Ų | 105 | 41% | 0.411 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -41.7 | 131.5 | 136 | 47.7 | 0 | 0 | 0 | 0 | 108.8 | C815 I816 Y2516 | C815-T2518 HydrophobicContact CB-CG2 3.52Å; I816-T2518 HydrophobicContact CD1-CG2 4.39Å; Y2516-T2518 PolarHBondContact O-N 3.42Å |
| 2519 | S | 21.8 | Very low | 28.6 | Very low | 102 Ų | 102 | 102.2 Ų | 102.2 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 70.8 | 94.9 | -154.8 | 74.8 | 0 | 0 | 0 | 0 | 113.8 | T2517 | T2517-S2519 CarbonylContact O-C 3.17Å; T2517-S2519 PolarHBondContact O-N 3.4Å |
| 2520 | G | 22.6 | Very low | 28.9 | Very low | 59 Ų | 59 | 102.4 Ų | 102.4 | 61% | 0.608 | 61% | 0.612 | S | S | * | * | trans | -170.2 | 94.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2521 | L | 26.2 | Very low | 29.4 | Very low | 161 Ų | 161 | 101.2 Ų | 101.2 | 84% | 0.843 | 60% | 0.604 | S | S | * | * | trans | 30.3 | 108.7 | 136.7 | -61.1 | 157.3 | 0 | 0 | 0 | 117.4 | ||||
| 2522 | G | 25.2 | Very low | 29.5 | Very low | 79 Ų | 79 | 98 Ų | 98 | 81% | 0.814 | 60% | 0.595 | S | S | * | * | trans | -145.1 | -22.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2523 | S | 22 | Very low | 29.4 | Very low | 102 Ų | 102 | 96.1 Ų | 96.1 | 71% | 0.713 | 58% | 0.584 | S | S | * | * | trans | -159.7 | 162.4 | 178.9 | 56.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 2524 | S | 20.8 | Very low | 30 | Very low | 84 Ų | 84 | 92.4 Ų | 92.4 | 59% | 0.587 | 57% | 0.569 | S | S | * | * | 55.6 | 52.3 | -93.5 | 174.9 | 0 | 0 | 0 | 0 | 114.6 | L398 G2528 | L398-S2524 WeakPolarHBondContact CD1-OG 3.01Å; S2524-G2528 WeakPolarHBondContact CB-O 3.38Å | |||
| 2525 | V | 45.4 | Very low | 30.4 | Very low | 78 Ų | 78 | 89.2 Ų | 89.2 | 47% | 0.473 | 56% | 0.557 | S | S | . | * | -119.4 | 137.4 | 76.7 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | L398 | L398-V2525 HydrophobicContact CB-CB 4.36Å; L398-V2525 HydrophobicContact CB-CG1 4.41Å; L398-V2525 HydrophobicContact CB-CG2 3.91Å | |||
| 2526 | N | 28.4 | Very low | 31 | Very low | 85 Ų | 85 | 84.1 Ų | 84.1 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | S | Bend | cis | -146.5 | 150.6 | 8.4 | -131.8 | -0.9 | 0 | 0 | 0 | 111.8 | N396 H397 L398 | N396-N2526 PolarHBondContact O-ND2 3.19Å; H397-N2526 VanDerWaalsContact O-CG 3.3Å; H397-N2526 PolarHBondContact O-ND2 3.2Å; H397-N2526 PolarHBondContact O-OD1 2.84Å; L398-N2526 WeakPolarHBondContact CA-OD1 3.48Å; L398-N2526 WeakPolarHBondContact CB-OD1 3.34Å; L398-N2526 PolarHBondContact N-OD1 3.33Å |
| 2527 | P | 44.6 | Very low | 31.7 | Very low | 94 Ų | 94 | 79.3 Ų | 79.3 | 61% | 0.61 | 52% | 0.524 | S | S | * | . | S | Bend | cis | -119.9 | 38.1 | -17.5 | 38.1 | -22.2 | 0 | 0 | 0 | 113.4 | L398 T2529 | L398-P2527 HydrophobicContact CG-CB 4.36Å; P2527-T2529 PolarHBondContact O-OG1 2.72Å |
| 2528 | G | 34.3 | Very low | 32.2 | Very low | 41 Ų | 41 | 79.1 Ų | 79.1 | 42% | 0.423 | 52% | 0.523 | S | S | . | . | trans | -99 | 140.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L398 S2524 | L398-G2528 WeakPolarHBondContact CD1-O 2.94Å; S2524-G2528 WeakPolarHBondContact CB-O 3.38Å | ||
| 2529 | T | 49.8 | Very low | 32.9 | Very low | 41 Ų | 41 | 85.3 Ų | 85.3 | 25% | 0.252 | 55% | 0.547 | S | S | . | . | cis | 88.3 | 127.1 | 16.8 | -53.2 | 0 | 0 | 0 | 0 | 115.4 | I436 P2527 | I436-T2529 HydrophobicContact CB-CG2 4.37Å; I436-T2529 HydrophobicContact CG1-CG2 3.56Å; P2527-T2529 PolarHBondContact O-OG1 2.72Å | ||
| 2530 | Q | 32.1 | Very low | 33.5 | Very low | 100 Ų | 100 | 87.1 Ų | 87.1 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | cis | 154.5 | 134.1 | -26.8 | -91.2 | 166.4 | 100.6 | 0 | 0 | 107.1 | I437 | I437-Q2530 WeakPolarHBondContact CA-O 3.09Å; I437-Q2530 PolarHBondContact N-O 3.23Å | ||
| 2531 | I | 32.9 | Very low | 33.5 | Very low | 125 Ų | 125 | 89.8 Ų | 89.8 | 64% | 0.641 | 54% | 0.544 | S | S | * | . | cis | -149.3 | -128.3 | -8.3 | 46 | 168.1 | 0 | 0 | 0 | 107.2 | ||||
| 2532 | A | 32.4 | Very low | 33.4 | Very low | 56 Ų | 56 | 86.8 Ų | 86.8 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | trans | 79 | -167.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | H438 E439 | H438-A2532 WeakPolarHBondContact O-CB 3.35Å; E439-A2532 HydrophobicContact CG-CB 3.67Å | ||
| 2533 | S | 30.6 | Very low | 33.2 | Very low | 64 Ų | 64 | 88 Ų | 88 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | trans | -150.6 | -78.1 | -133.5 | 31.4 | 0 | 0 | 0 | 0 | 119.3 | E439 N440 | E439-S2533 VanDerWaalsContact CB-C 3.48Å; E439-S2533 VanDerWaalsContact CG-N 3.28Å; E439-S2533 VanDerWaalsContact OE1-C 3.24Å; E439-S2533 WeakPolarHBondContact OE1-CA 3.45Å; E439-S2533 VanDerWaalsContact OE1-CB 3.3Å; E439-S2533 WeakPolarHBondContact OE1-CB 3.44Å; E439-S2533 PolarHBondContact OE1-N 3.41Å; E439-S2533 PolarHBondContact OE1-OG 2.69Å; N440-S2533 WeakPolarHBondContact CA-O 3.19Å; N440-S2533 PolarHBondContact N-O 2.94Å | ||
| 2534 | N | 36 | Very low | 33.7 | Very low | 82 Ų | 82 | 85.9 Ų | 85.9 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | trans | -119.9 | 173.7 | -167.4 | 64.7 | -170.1 | 0 | 0 | 0 | 114.8 | E439 N440 | E439-N2534 WeakPolarHBondContact CB-O 3.44Å; E439-N2534 VanDerWaalsContact CD-N 3.32Å; E439-N2534 VanDerWaalsContact CG-O 3.3Å; E439-N2534 WeakPolarHBondContact CG-O 3.48Å; E439-N2534 PolarHBondContact OE1-N 2.69Å; E439-N2534 PolarHBondContact OE1-ND2 2.83Å; E439-N2534 PolarHBondContact OE2-ND2 3.37Å; N440-N2534 WeakPolarHBondContact OD1-CA 3.34Å; N440-N2534 PolarHBondContact OD1-O 2.85Å | ||
| 2535 | S | 32.3 | Very low | 34.3 | Very low | 55 Ų | 55 | 84 Ų | 84 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | cis | -130.9 | 37.8 | 3.1 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | N440 P464 | N440-S2535 PolarHBondContact OD1-N 2.79Å; N440-S2535 VanDerWaalsContact OD1-N 3.12Å; P464-S2535 CarbonylContact O-C 3.17Å; P464-S2535 VanDerWaalsContact O-CA 3.22Å; P464-S2535 WeakPolarHBondContact O-CA 3.45Å | ||
| 2536 | G | 36.3 | Very low | 33.8 | Very low | 6 Ų | 6 | 84.2 Ų | 84.2 | 6% | 0.062 | 50% | 0.497 | C | S | . | . | trans | 87.5 | -153.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | N440 L462 P464 | N440-G2536 VanDerWaalsContact CG-N 3.3Å; N440-G2536 VanDerWaalsContact ND2-C 3.29Å; N440-G2536 VanDerWaalsContact ND2-CA 3.34Å; N440-G2536 WeakPolarHBondContact ND2-CA 3.31Å; N440-G2536 PolarHBondContact ND2-N 2.69Å; N440-G2536 PolarHBondContact ND2-O 3.18Å; N440-G2536 PolarHBondContact OD1-N 2.89Å; L462-G2536 WeakPolarHBondContact O-CA 3.34Å; P464-G2536 VanDerWaalsContact CD-CA 3.45Å | ||
| 2537 | S | 38.3 | Very low | 34 | Very low | 78 Ų | 78 | 83.8 Ų | 83.8 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | trans | 67.6 | 147.6 | 137.7 | 80.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2538 | V | 42.2 | Very low | 33.3 | Very low | 103 Ų | 103 | 82.5 Ų | 82.5 | 62% | 0.624 | 49% | 0.492 | S | S | * | . | trans | 58.7 | 94.2 | 137 | 174.1 | 0 | 0 | 0 | 0 | 114.2 | E2540 | V2538-E2540 HydrophobicContact CG1-CB 3.63Å; V2538-E2540 PolarHBondContact O-N 2.65Å | ||
| 2539 | Q | 36 | Very low | 33.5 | Very low | 196 Ų | 196 | 82.9 Ų | 82.9 | 92% | 0.916 | 49% | 0.486 | S | S | * | . | 34.4 | 33.3 | 56.4 | -147.6 | -147.2 | 27.5 | 0 | 0 | 116.4 | |||||
| 2540 | E | 34.2 | Very low | 32.4 | Very low | 140 Ų | 140 | 84.1 Ų | 84.1 | 65% | 0.654 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -158.2 | 142.8 | 151.8 | -132.5 | -166.2 | -126.7 | 0 | 0 | 112.4 | V2538 S2542 | V2538-E2540 HydrophobicContact CG1-CB 3.63Å; V2538-E2540 PolarHBondContact O-N 2.65Å; E2540-S2542 PolarHBondContact O-N 2.8Å |
| 2541 | N | 22.8 | Very low | 32 | Very low | 115 Ų | 115 | 80.8 Ų | 80.8 | 62% | 0.615 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 53.1 | 16.4 | 161 | -72 | -52.5 | 0 | 0 | 0 | 120.1 | T2543 | N2541-T2543 PolarHBondContact OD1-OG1 3.12Š|
| 2542 | S | 24.1 | Very low | 32 | Very low | 98 Ų | 98 | 78.2 Ų | 78.2 | 69% | 0.685 | 47% | 0.469 | S | S | * | . | -113.3 | 95.8 | 119.1 | -69.2 | 0 | 0 | 0 | 0 | 107.2 | E2540 | E2540-S2542 PolarHBondContact O-N 2.8Š| |||
| 2543 | T | 22.3 | Very low | 31.7 | Very low | 104 Ų | 104 | 78.8 Ų | 78.8 | 64% | 0.638 | 47% | 0.469 | S | S | * | . | cis | 64.5 | 0.5 | 27.1 | -74.3 | 0 | 0 | 0 | 0 | 113.8 | N2541 | N2541-T2543 PolarHBondContact OD1-OG1 3.12Š| ||
| 2544 | I | 32.4 | Very low | 31.4 | Very low | 59 Ų | 59 | 77 Ų | 77 | 30% | 0.303 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -165.1 | 113.7 | 160.5 | -97.9 | 146 | 0 | 0 | 0 | 104.8 | K403 K404 | K403-I2544 HydrophobicContact CD-CD1 4.07Å; K403-I2544 HydrophobicContact CG-CD1 3.87Å; K403-I2544 HydrophobicContact CG-CG1 4.04Å; K403-I2544 HydrophobicContact CG-CG2 4.23Å; K404-I2544 HydrophobicContact CD-CG1 4.42Å; K404-I2544 HydrophobicContact CG-CG1 4.1Å |
| 2545 | L | 33.7 | Very low | 30.7 | Very low | 43 Ų | 43 | 75.6 Ų | 75.6 | 23% | 0.225 | 45% | 0.448 | C | S | . | . | trans | 57.4 | 139 | 156 | -67.7 | 134.4 | 0 | 0 | 0 | 117.9 | K403 K404 N434 D435 | K403-L2545 VanDerWaalsContact CA-CD1 3.47Å; K404-L2545 VanDerWaalsContact N-CD1 3.3Å; N434-L2545 WeakPolarHBondContact O-CD1 3.24Å; N434-L2545 WeakPolarHBondContact O-CD2 3.25Å; D435-L2545 WeakPolarHBondContact O-CB 3.3Å; D435-L2545 WeakPolarHBondContact O-CD1 3.34Å; D435-L2545 WeakPolarHBondContact O-CG 3.28Å | ||
| 2546 | S | 34.1 | Very low | 30.2 | Very low | 84 Ų | 84 | 74.5 Ų | 74.5 | 59% | 0.587 | 44% | 0.439 | S | S | * | . | cis | 60.5 | 124 | 11.8 | 86.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2547 | P | 32.2 | Very low | 29.6 | Very low | 75 Ų | 75 | 78 Ų | 78 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | cis | -135 | 159.8 | 39.1 | 47.4 | -31.5 | 0 | 0 | 0 | 112 | ||||
| 2548 | S | 29.7 | Very low | 29.1 | Very low | 67 Ų | 67 | 78 Ų | 78 | 47% | 0.469 | 45% | 0.453 | S | S | . | . | 72.1 | 154.9 | 102.2 | 83.5 | 0 | 0 | 0 | 0 | 117 | |||||
| 2549 | T | 39.5 | Very low | 28.4 | Very low | 49 Ų | 49 | 75.5 Ų | 75.5 | 30% | 0.301 | 44% | 0.436 | S | S | . | . | S | Bend | trans | 32.9 | 129.6 | 137.1 | 60.3 | 0 | 0 | 0 | 0 | 119.6 | I830 E832 | I830-T2549 HydrophobicContact CG1-CG2 4.26Å; I830-T2549 HydrophobicContact CG2-CG2 3.77Å; E832-T2549 PolarHBondContact OE2-OG1 2.68Å |
| 2550 | L | 26.4 | Very low | 28 | Very low | 67 Ų | 67 | 68.7 Ų | 68.7 | 35% | 0.351 | 41% | 0.406 | S | S | . | . | trans | 71.5 | 165.6 | 179.1 | -72.1 | 79 | 0 | 0 | 0 | 114.4 | I830 E832 S833 | I830-L2550 HydrophobicContact CG2-CD1 3.53Å; I830-L2550 HydrophobicContact CG2-CG 4.36Å; E832-L2550 HydrophobicContact CB-CD1 3.34Å; E832-L2550 HydrophobicContact CB-CD2 4.12Å; E832-L2550 HydrophobicContact CB-CG 4.38Å; E832-L2550 HydrophobicContact CG-CD1 3.38Å; S833-L2550 WeakPolarHBondContact OG-CD2 3.03Å | ||
| 2551 | G | 23.5 | Very low | 27.4 | Very low | 30 Ų | 30 | 69.9 Ų | 69.9 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | trans | 96.9 | -134.3 | -158.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q1672 S2553 | Q1672-G2551 PolarHBondContact NE2-O 3.08Å; G2551-S2553 PolarHBondContact O-N 2.87Å | ||
| 2552 | E | 33.4 | Very low | 27.5 | Very low | 72 Ų | 72 | 66.8 Ų | 66.8 | 34% | 0.336 | 39% | 0.386 | S | S | . | . | trans | 50.6 | 1.1 | -174.7 | -60.1 | -158.4 | 165 | 0 | 0 | 116.4 | Q1672 Q1904 K2554 | Q1672-E2552 VanDerWaalsContact NE2-C 3.32Å; Q1904-E2552 HydrophobicContact CB-CB 4.46Å; Q1904-E2552 PolarHBondContact NE2-OE1 2.78Å; Q1904-E2552 PolarHBondContact NE2-OE2 3.3Å; E2552-K2554 PolarHBondContact O-N 3.14Å | ||
| 2553 | S | 26.6 | Very low | 27.5 | Very low | 67 Ų | 67 | 63.9 Ų | 63.9 | 47% | 0.469 | 36% | 0.361 | S | S | . | . | trans | -32.7 | 89.7 | 133.8 | 56 | 0 | 0 | 0 | 0 | 111.6 | G2551 | G2551-S2553 PolarHBondContact O-N 2.87Š| ||
| 2554 | K | 22.7 | Very low | 27.5 | Very low | 28 Ų | 28 | 60.4 Ų | 60.4 | 12% | 0.122 | 34% | 0.339 | C | S | . | . | trans | -136.9 | 80.5 | -178.1 | -83.6 | 177.6 | 152.9 | -173.8 | 0 | 114.1 | N440 E1901 L1902 Q1904 E1905 E2552 | N440-K2554 PolarHBondContact O-NZ 2.82Å; E1901-K2554 CarbonylContact C-O 3.59Å; E1901-K2554 HydrophobicContact CB-CB 4.26Å; E1901-K2554 HydrophobicContact CB-CD 4Å; E1901-K2554 HydrophobicContact CB-CG 4.42Å; E1901-K2554 HydrophobicContact CG-CD 4.15Å; E1901-K2554 WeakPolarHBondContact O-CB 3.2Å; L1902-K2554 WeakPolarHBondContact CA-O 2.98Å; L1902-K2554 WeakPolarHBondContact CD1-O 3Å; Q1904-K2554 HydrophobicContact CB-CB 4.35Å; Q1904-K2554 HydrophobicContact CB-CD 3.67Å; E1905-K2554 VanDerWaalsContact CB-O 3.28Å; E1905-K2554 WeakPolarHBondContact CB-O 3.41Å; E1905-K2554 HydrophobicContact CG-CB 4.33Å; E1905-K2554 VanDerWaalsContact CG-O 3.27Å; E1905-K2554 WeakPolarHBondContact CG-O 3.37Å; E1905-K2554 PolarHBondContact OE1-N 3.4Å; E2552-K2554 PolarHBondContact O-N 3.14Å | ||
| 2555 | P | 21.1 | Very low | 27 | Very low | 51 Ų | 51 | 61.3 Ų | 61.3 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | 0.4 | 125.3 | 88.2 | -5.7 | -13.2 | 0 | 0 | 0 | 113.6 | E1905 | E1905-P2555 WeakPolarHBondContact OE1-CD 3.35Å; E1905-P2555 VanDerWaalsContact OE2-CD 3.31Å; E1905-P2555 WeakPolarHBondContact OE2-CD 3.26Å | |||
| 2556 | V | 22.9 | Very low | 26.5 | Very low | 32 Ų | 32 | 63.9 Ų | 63.9 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | -162.5 | 93.4 | 69.3 | 136.4 | 0 | 0 | 0 | 0 | 113.9 | I1898 E1901 T2584 | I1898-V2556 WeakPolarHBondContact CD1-O 3.49Å; I1898-V2556 WeakPolarHBondContact CG1-O 3.42Å; I1898-V2556 WeakPolarHBondContact CG2-O 3.11Å; E1901-V2556 WeakPolarHBondContact OE2-CB 3.41Å; V2556-T2584 HydrophobicContact CB-CG2 4.47Å; V2556-T2584 HydrophobicContact CG1-CG2 3.01Å | |||
| 2557 | K | 23 | Very low | 26.1 | Very low | 79 Ų | 79 | 64.7 Ų | 64.7 | 34% | 0.343 | 37% | 0.374 | S | S | . | . | trans | 18.6 | 128.9 | 150.7 | -29 | 67.5 | 141 | -147 | 0 | 118.1 | I1898 N2559 T2584 S2585 G2586 | I1898-K2557 WeakPolarHBondContact CD1-O 3.01Å; K2557-N2559 PolarHBondContact O-N 2.82Å; K2557-T2584 VanDerWaalsContact NZ-C 3.33Å; K2557-T2584 PolarHBondContact NZ-O 3Å; K2557-T2584 WeakPolarHBondContact O-CA 3.47Å; K2557-T2584 PolarHBondContact O-N 3.38Å; K2557-T2584 PolarHBondContact O-OG1 3.25Å; K2557-S2585 VanDerWaalsContact CE-O 3.29Å; K2557-S2585 WeakPolarHBondContact CE-O 2.92Å; K2557-S2585 WeakPolarHBondContact CG-O 3.45Å; K2557-G2586 VanDerWaalsContact CE-N 3.3Å | ||
| 2558 | S | 29.2 | Very low | 25.9 | Very low | 80 Ų | 80 | 65.5 Ų | 65.5 | 56% | 0.559 | 38% | 0.382 | S | S | * | . | trans | -37.6 | 129.9 | 173.8 | 57.8 | 0 | 0 | 0 | 0 | 115 | N2560 T2584 | S2558-N2560 PolarHBondContact O-ND2 3.23Å; S2558-T2584 PolarHBondContact O-N 2.86Å | ||
| 2559 | N | 27 | Very low | 26 | Very low | 50 Ų | 50 | 66.7 Ų | 66.7 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | trans | -89 | -178.9 | 162.1 | -138.6 | -17.6 | 0 | 0 | 0 | 112.5 | E1894 K2557 T2583 T2584 | E1894-N2559 WeakPolarHBondContact OE1-CB 3.47Å; E1894-N2559 PolarHBondContact OE1-ND2 3.21Å; E1894-N2559 WeakPolarHBondContact OE2-CB 2.89Å; K2557-N2559 PolarHBondContact O-N 2.82Å; N2559-T2583 WeakPolarHBondContact OD1-CA 3.43Å; N2559-T2583 WeakPolarHBondContact OD1-CB 3.44Å; N2559-T2583 VanDerWaalsContact OD1-CG2 3.26Å; N2559-T2583 WeakPolarHBondContact OD1-CG2 3.12Å; N2559-T2584 WeakPolarHBondContact CA-OG1 3.38Å; N2559-T2584 WeakPolarHBondContact CB-OG1 3.31Å; N2559-T2584 PolarHBondContact N-OG1 2.67Å; N2559-T2584 PolarHBondContact ND2-OG1 3.36Å; N2559-T2584 PolarHBondContact OD1-OG1 2.83Å | ||
| 2560 | N | 27.3 | Very low | 25.8 | Very low | 53 Ų | 53 | 68.8 Ų | 68.8 | 28% | 0.283 | 40% | 0.403 | S | S | . | . | trans | -141.3 | 126.5 | -143.7 | -69.4 | -93.8 | 0 | 0 | 0 | 114.9 | S2558 K2562 L2582 T2583 | S2558-N2560 PolarHBondContact O-ND2 3.23Å; N2560-K2562 HydrophobicContact CB-CB 3.95Å; N2560-K2562 HydrophobicContact CB-CD 4.01Å; N2560-K2562 HydrophobicContact CB-CG 4.37Å; N2560-K2562 WeakPolarHBondContact O-CB 3.4Å; N2560-L2582 HydrophobicContact CB-CD1 3.82Å; N2560-L2582 HydrophobicContact CB-CD2 3.95Å; N2560-L2582 HydrophobicContact CB-CG 4.48Å; N2560-L2582 VanDerWaalsContact CG-CD2 3.44Å; N2560-L2582 PolarHBondContact ND2-O 2.87Å; N2560-L2582 VanDerWaalsContact OD1-CD2 3.32Å; N2560-L2582 WeakPolarHBondContact OD1-CD2 3.2Å; N2560-T2583 WeakPolarHBondContact ND2-CA 3.31Å | ||
| 2561 | W | 22.1 | Very low | 25.9 | Very low | 165 Ų | 165 | 69.3 Ų | 69.3 | 63% | 0.625 | 42% | 0.424 | S | S | * | . | trans | -131.2 | 88.5 | 166.7 | -70.1 | 44.5 | 0 | 0 | 0 | 110.1 | L1891 | L1891-W2561 HydrophobicContact CD1-CB 4.13Å; L1891-W2561 HydrophobicContact CD1-CG 4.15Å | ||
| 2562 | K | 23.9 | Very low | 26.2 | Very low | 49 Ų | 49 | 76.5 Ų | 76.5 | 21% | 0.213 | 44% | 0.442 | C | S | . | . | cis | 95.8 | -134 | 11.3 | -144.2 | -163 | 173.6 | -153.1 | 0 | 118.1 | K2105 N2560 L2582 | K2105-K2562 WeakPolarHBondContact CE-O 3.29Å; K2105-K2562 VanDerWaalsContact CG-O 3.23Å; K2105-K2562 WeakPolarHBondContact CG-O 3.35Å; N2560-K2562 HydrophobicContact CB-CB 3.95Å; N2560-K2562 HydrophobicContact CB-CD 4.01Å; N2560-K2562 HydrophobicContact CB-CG 4.37Å; N2560-K2562 WeakPolarHBondContact O-CB 3.4Å; K2562-L2582 HydrophobicContact CD-CD1 3.59Å; K2562-L2582 HydrophobicContact CD-CD2 3.76Å; K2562-L2582 HydrophobicContact CD-CG 3.71Å; K2562-L2582 HydrophobicContact CG-CD2 4.49Å | ||
| 2563 | Q | 23.4 | Very low | 26 | Very low | 37 Ų | 37 | 78.8 Ų | 78.8 | 17% | 0.173 | 45% | 0.452 | C | S | . | . | trans | -81.3 | 158.6 | -151.7 | -50.9 | -74.1 | -147.2 | 0 | 0 | 116.6 | K2105 I2108 E2109 | K2105-Q2563 VanDerWaalsContact CE-C 3.46Å; K2105-Q2563 WeakPolarHBondContact CE-O 3.36Å; K2105-Q2563 PolarHBondContact NZ-O 3.13Å; K2105-Q2563 PolarHBondContact O-NE2 2.89Å; I2108-Q2563 VanDerWaalsContact C-NE2 3.33Å; I2108-Q2563 PolarHBondContact O-OE1 3.3Å; E2109-Q2563 HydrophobicContact CB-CB 3.9Å; E2109-Q2563 VanDerWaalsContact CB-CD 3.4Å; E2109-Q2563 HydrophobicContact CB-CG 4.01Å; E2109-Q2563 HydrophobicContact CG-CB 3.81Å; E2109-Q2563 HydrophobicContact CG-CG 3.8Å; E2109-Q2563 WeakPolarHBondContact OE1-CB 3.4Å | ||
| 2564 | N | 24.1 | Very low | 26.3 | Very low | 31 Ų | 31 | 86.6 Ų | 86.6 | 17% | 0.166 | 47% | 0.471 | C | S | . | . | trans | 29.1 | 153.2 | 169.7 | -80.1 | 9 | 0 | 0 | 0 | 122 | K2105 Q2106 E2109 | K2105-N2564 WeakPolarHBondContact CE-O 3.35Å; K2105-N2564 PolarHBondContact NZ-O 3.32Å; K2105-N2564 PolarHBondContact O-OD1 2.83Å; K2105-N2564 VanDerWaalsContact O-OD1 3.08Å; Q2106-N2564 VanDerWaalsContact CA-OD1 3.29Å; Q2106-N2564 WeakPolarHBondContact CA-OD1 3.38Å; E2109-N2564 HydrophobicContact CB-CB 4.37Å; E2109-N2564 VanDerWaalsContact CB-CG 3.47Å; E2109-N2564 WeakPolarHBondContact CB-OD1 3.14Å; E2109-N2564 VanDerWaalsContact CD-CG 3.45Å; E2109-N2564 VanDerWaalsContact CD-ND2 3.26Å; E2109-N2564 WeakPolarHBondContact OE1-CB 2.69Å; E2109-N2564 PolarHBondContact OE2-ND2 2.91Å | ||
| 2565 | V | 21.7 | Very low | 26.4 | Very low | 78 Ų | 78 | 87.8 Ų | 87.8 | 47% | 0.473 | 48% | 0.483 | S | S | . | . | S | Bend | 60.3 | 142.2 | 55.6 | 145.1 | 0 | 0 | 0 | 0 | 112.8 | Q2106 | Q2106-V2565 HydrophobicContact CG-CB 4.37Å; Q2106-V2565 HydrophobicContact CG-CG2 3.84Å | |
| 2566 | S | 23.1 | Very low | 27.1 | Very low | 97 Ų | 97 | 92.7 Ų | 92.7 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -29.9 | 167 | 167.6 | -40.6 | 0 | 0 | 0 | 0 | 117.5 | ||
| 2567 | S | 25 | Very low | 27.6 | Very low | 101 Ų | 101 | 95.9 Ų | 95.9 | 71% | 0.706 | 51% | 0.514 | S | S | * | . | trans | 75.1 | 108.2 | 176.9 | 85.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2568 | S | 28 | Very low | 28.4 | Very low | 92 Ų | 92 | 97.7 Ų | 97.7 | 64% | 0.643 | 52% | 0.524 | S | S | * | . | 96.9 | 107 | 77.1 | 74.3 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 2569 | S | 31.6 | Very low | 28.8 | Very low | 92 Ų | 92 | 96.3 Ų | 96.3 | 64% | 0.643 | 52% | 0.515 | S | S | * | . | 78.8 | 161.9 | 91.4 | 83.3 | 0 | 0 | 0 | 0 | 111.9 | G2571 | S2569-G2571 PolarHBondContact O-N 3.01Å; S2569-G2571 VanDerWaalsContact O-N 3.07Å | |||
| 2570 | V | 34.8 | Very low | 30.2 | Very low | 94 Ų | 94 | 96 Ų | 96 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | trans | 52.9 | 44.2 | 160.9 | -170 | 0 | 0 | 0 | 0 | 111.2 | R2572 | V2570-R2572 VanDerWaalsContact C-N 3.35Å; V2570-R2572 HydrophobicContact CG1-CB 4.09Å; V2570-R2572 VanDerWaalsContact CG1-CD 3.49Å; V2570-R2572 HydrophobicContact CG1-CG 4.48Å; V2570-R2572 VanDerWaalsContact O-CB 3.26Å; V2570-R2572 WeakPolarHBondContact O-CB 3.05Å; V2570-R2572 PolarHBondContact O-N 3.16Å | ||
| 2571 | G | 29.9 | Very low | 31.2 | Very low | 77 Ų | 77 | 95.2 Ų | 95.2 | 79% | 0.794 | 52% | 0.518 | S | S | * | . | trans | -63.8 | -39.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S2569 | S2569-G2571 PolarHBondContact O-N 3.01Å; S2569-G2571 VanDerWaalsContact O-N 3.07Å | ||
| 2572 | R | 29.9 | Very low | 31.5 | Very low | 182 Ų | 182 | 90.8 Ų | 90.8 | 69% | 0.687 | 51% | 0.506 | S | S | * | . | trans | 20.7 | 124 | 134.5 | -151.6 | -168.9 | -173.2 | -155.2 | 12.9 | 116.3 | V2570 | V2570-R2572 VanDerWaalsContact C-N 3.35Å; V2570-R2572 HydrophobicContact CG1-CB 4.09Å; V2570-R2572 VanDerWaalsContact CG1-CD 3.49Å; V2570-R2572 HydrophobicContact CG1-CG 4.48Å; V2570-R2572 VanDerWaalsContact O-CB 3.26Å; V2570-R2572 WeakPolarHBondContact O-CB 3.05Å; V2570-R2572 PolarHBondContact O-N 3.16Å | ||
| 2573 | Q | 28.4 | Very low | 32.1 | Very low | 120 Ų | 120 | 89.4 Ų | 89.4 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | trans | 80.5 | 120.1 | 167.8 | -58.2 | 142.1 | -75.3 | 0 | 0 | 114 | ||||
| 2574 | R | 33.7 | Very low | 33 | Very low | 230 Ų | 230 | 89.4 Ų | 89.4 | 87% | 0.868 | 50% | 0.504 | S | S | * | . | 55.5 | 97.7 | 108.5 | -56.2 | 173.5 | -178.8 | 177.9 | -2.7 | 111.5 | |||||
| 2575 | S | 24.7 | Very low | 33.3 | Very low | 53 Ų | 53 | 89 Ų | 89 | 37% | 0.371 | 50% | 0.503 | S | S | . | . | cis | -113.3 | 162.6 | 24.1 | 35.1 | 0 | 0 | 0 | 0 | 112.8 | E2577 E2578 | S2575-E2577 VanDerWaalsContact CB-N 3.31Å; S2575-E2577 VanDerWaalsContact CB-OE2 3.29Å; S2575-E2577 WeakPolarHBondContact CB-OE2 3.47Å; S2575-E2577 CarbonylContact O-C 3.43Å; S2575-E2577 PolarHBondContact O-N 3.49Å; S2575-E2577 VanDerWaalsContact OG-CB 3.27Å; S2575-E2577 WeakPolarHBondContact OG-CB 3.14Å; S2575-E2577 WeakPolarHBondContact OG-CG 3.2Å; S2575-E2577 PolarHBondContact OG-OE2 2.93Å; S2575-E2578 PolarHBondContact O-N 2.91Å | ||
| 2576 | H | 34.5 | Very low | 33.6 | Very low | 154 Ų | 154 | 86.6 Ų | 86.6 | 71% | 0.713 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -77.6 | 31.2 | 150.5 | -76.9 | -100.3 | 0 | 0 | 0 | 110.1 | E2578 | H2576-E2578 VanDerWaalsContact CA-N 3.28Å; H2576-E2578 HydrophobicContact CB-CB 4.43Å; H2576-E2578 HydrophobicContact CB-CG 4.48Å; H2576-E2578 VanDerWaalsContact CE1-CD 3.48Å; H2576-E2578 IonicContact CE1-OE1 2.94Å; H2576-E2578 PolarHBondContact CE1-OE1 3.07Å; H2576-E2578 IonicContact CE1-OE2 2.95Å; H2576-E2578 PolarHBondContact CE1-OE2 3.11Å; H2576-E2578 IonicContact CG-OE2 3.4Å; H2576-E2578 IonicContact ND1-OE1 2.73Å; H2576-E2578 PolarHBondContact ND1-OE1 2.78Å; H2576-E2578 IonicContact ND1-OE2 2.72Å; H2576-E2578 PolarHBondContact ND1-OE2 3.5Å; H2576-E2578 PolarHBondContact O-N 3.5Å |
| 2577 | E | 33.6 | Very low | 34.1 | Very low | 99 Ų | 99 | 89 Ų | 89 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | -76.4 | 37.4 | 127.7 | -46.6 | 161.9 | 83 | 0 | 0 | 109.8 | R2119 S2575 S2579 | R2119-E2577 IonicContact NH1-OE1 3.79Å; R2119-E2577 PolarHBondContact NH1-OE1 2.65Å; S2575-E2577 VanDerWaalsContact CB-N 3.31Å; S2575-E2577 VanDerWaalsContact CB-OE2 3.29Å; S2575-E2577 WeakPolarHBondContact CB-OE2 3.47Å; S2575-E2577 CarbonylContact O-C 3.43Å; S2575-E2577 PolarHBondContact O-N 3.49Å; S2575-E2577 VanDerWaalsContact OG-CB 3.27Å; S2575-E2577 WeakPolarHBondContact OG-CB 3.14Å; S2575-E2577 WeakPolarHBondContact OG-CG 3.2Å; S2575-E2577 PolarHBondContact OG-OE2 2.93Å; E2577-S2579 WeakPolarHBondContact O-CA 3.48Å; E2577-S2579 WeakPolarHBondContact O-CB 3.14Å | |||
| 2578 | E | 40.3 | Very low | 34.2 | Very low | 117 Ų | 117 | 90.1 Ų | 90.1 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | -28 | 133.6 | 121.3 | -83.7 | -172.4 | 164 | 0 | 0 | 111.3 | S2575 H2576 A2580 | S2575-E2578 PolarHBondContact O-N 2.91Å; H2576-E2578 VanDerWaalsContact CA-N 3.28Å; H2576-E2578 HydrophobicContact CB-CB 4.43Å; H2576-E2578 HydrophobicContact CB-CG 4.48Å; H2576-E2578 VanDerWaalsContact CE1-CD 3.48Å; H2576-E2578 IonicContact CE1-OE1 2.94Å; H2576-E2578 PolarHBondContact CE1-OE1 3.07Å; H2576-E2578 IonicContact CE1-OE2 2.95Å; H2576-E2578 PolarHBondContact CE1-OE2 3.11Å; H2576-E2578 IonicContact CG-OE2 3.4Å; H2576-E2578 IonicContact ND1-OE1 2.73Å; H2576-E2578 PolarHBondContact ND1-OE1 2.78Å; H2576-E2578 IonicContact ND1-OE2 2.72Å; H2576-E2578 PolarHBondContact ND1-OE2 3.5Å; H2576-E2578 PolarHBondContact O-N 3.5Å; E2578-A2580 WeakPolarHBondContact O-CA 3.26Å; E2578-A2580 WeakPolarHBondContact O-CB 3.17Å | |||
| 2579 | S | 37.9 | Very low | 34.2 | Very low | 52 Ų | 52 | 92.5 Ų | 92.5 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | -132.1 | 58.8 | -90.2 | 44.2 | 0 | 0 | 0 | 0 | 113.2 | E2577 S2581 | E2577-S2579 WeakPolarHBondContact O-CA 3.48Å; E2577-S2579 WeakPolarHBondContact O-CB 3.14Å; S2579-S2581 CarbonylContact C-O 3.44Å; S2579-S2581 VanDerWaalsContact C-O 3.29Å; S2579-S2581 VanDerWaalsContact O-O 3.13Å; S2579-S2581 PolarHBondContact O-OG 2.79Å; S2579-S2581 VanDerWaalsContact O-OG 3.13Å | |||
| 2580 | A | 56.6 | Low | 34 | Very low | 44 Ų | 44 | 95.4 Ų | 95.4 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | cis | -163.7 | -31.5 | -1.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E2578 S2585 | E2578-A2580 WeakPolarHBondContact O-CA 3.26Å; E2578-A2580 WeakPolarHBondContact O-CB 3.17Å; A2580-S2585 VanDerWaalsContact C-CB 3.43Å; A2580-S2585 WeakPolarHBondContact O-CB 3.25Å | ||
| 2581 | S | 47.1 | Very low | 33.9 | Very low | 36 Ų | 36 | 95 Ų | 95 | 25% | 0.252 | 51% | 0.505 | S | S | . | . | S | Bend | cis | 70.6 | 123.9 | 19.3 | 127.3 | 0 | 0 | 0 | 0 | 115.5 | S2579 T2583 S2585 | S2579-S2581 CarbonylContact C-O 3.44Å; S2579-S2581 VanDerWaalsContact C-O 3.29Å; S2579-S2581 VanDerWaalsContact O-O 3.13Å; S2579-S2581 PolarHBondContact O-OG 2.79Å; S2579-S2581 VanDerWaalsContact O-OG 3.13Å; S2581-T2583 WeakPolarHBondContact O-CG2 3.37Å; S2581-T2583 PolarHBondContact O-N 2.86Å; S2581-S2585 WeakPolarHBondContact CA-OG 3.23Å; S2581-S2585 PolarHBondContact N-OG 2.71Å |
| 2582 | L | 29.3 | Very low | 33.7 | Very low | 72 Ų | 72 | 101.4 Ų | 101.4 | 38% | 0.377 | 51% | 0.505 | S | S | . | . | S | Bend | trans | 66.9 | -46.1 | 164.2 | 153.5 | -70.9 | 0 | 0 | 0 | 115.9 | N2560 K2562 S2585 | N2560-L2582 HydrophobicContact CB-CD1 3.82Å; N2560-L2582 HydrophobicContact CB-CD2 3.95Å; N2560-L2582 HydrophobicContact CB-CG 4.48Å; N2560-L2582 VanDerWaalsContact CG-CD2 3.44Å; N2560-L2582 PolarHBondContact ND2-O 2.87Å; N2560-L2582 VanDerWaalsContact OD1-CD2 3.32Å; N2560-L2582 WeakPolarHBondContact OD1-CD2 3.2Å; K2562-L2582 HydrophobicContact CD-CD1 3.59Å; K2562-L2582 HydrophobicContact CD-CD2 3.76Å; K2562-L2582 HydrophobicContact CD-CG 3.71Å; K2562-L2582 HydrophobicContact CG-CD2 4.49Å; L2582-S2585 PolarHBondContact N-OG 3.39Å; L2582-S2585 VanDerWaalsContact N-OG 3.17Å |
| 2583 | T | 37 | Very low | 33.3 | Very low | 19 Ų | 19 | 98.4 Ų | 98.4 | 12% | 0.117 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -56.2 | 171.9 | 167.4 | 77.5 | 0 | 0 | 0 | 0 | 109 | N2559 N2560 S2581 S2585 | N2559-T2583 WeakPolarHBondContact OD1-CA 3.43Å; N2559-T2583 WeakPolarHBondContact OD1-CB 3.44Å; N2559-T2583 VanDerWaalsContact OD1-CG2 3.26Å; N2559-T2583 WeakPolarHBondContact OD1-CG2 3.12Å; N2560-T2583 WeakPolarHBondContact ND2-CA 3.31Å; S2581-T2583 WeakPolarHBondContact O-CG2 3.37Å; S2581-T2583 PolarHBondContact O-N 2.86Å; T2583-S2585 WeakPolarHBondContact O-CA 3.28Å; T2583-S2585 WeakPolarHBondContact O-CB 3.18Å; T2583-S2585 PolarHBondContact O-N 2.85Å; T2583-S2585 PolarHBondContact O-OG 2.72Å; T2583-S2585 WeakPolarHBondContact OG1-CB 3.35Å; T2583-S2585 PolarHBondContact OG1-N 2.85Å |
| 2584 | T | 40.8 | Very low | 33.8 | Very low | 37 Ų | 37 | 98.1 Ų | 98.1 | 23% | 0.227 | 52% | 0.516 | C | S | . | . | S | Bend | 41.7 | 13.8 | 86.9 | -25.3 | 0 | 0 | 0 | 0 | 115.2 | V2556 K2557 S2558 N2559 | V2556-T2584 HydrophobicContact CB-CG2 4.47Å; V2556-T2584 HydrophobicContact CG1-CG2 3.01Å; K2557-T2584 VanDerWaalsContact NZ-C 3.33Å; K2557-T2584 PolarHBondContact NZ-O 3Å; K2557-T2584 WeakPolarHBondContact O-CA 3.47Å; K2557-T2584 PolarHBondContact O-N 3.38Å; K2557-T2584 PolarHBondContact O-OG1 3.25Å; S2558-T2584 PolarHBondContact O-N 2.86Å; N2559-T2584 WeakPolarHBondContact CA-OG1 3.38Å; N2559-T2584 WeakPolarHBondContact CB-OG1 3.31Å; N2559-T2584 PolarHBondContact N-OG1 2.67Å; N2559-T2584 PolarHBondContact ND2-OG1 3.36Å; N2559-T2584 PolarHBondContact OD1-OG1 2.83Å | |
| 2585 | S | 32.4 | Very low | 33.3 | Very low | 22 Ų | 22 | 95.4 Ų | 95.4 | 15% | 0.154 | 51% | 0.506 | C | S | . | . | trans | -139 | 145 | -168.3 | 72.7 | 0 | 0 | 0 | 0 | 106.7 | K2557 A2580 S2581 L2582 T2583 | K2557-S2585 VanDerWaalsContact CE-O 3.29Å; K2557-S2585 WeakPolarHBondContact CE-O 2.92Å; K2557-S2585 WeakPolarHBondContact CG-O 3.45Å; A2580-S2585 VanDerWaalsContact C-CB 3.43Å; A2580-S2585 WeakPolarHBondContact O-CB 3.25Å; S2581-S2585 WeakPolarHBondContact CA-OG 3.23Å; S2581-S2585 PolarHBondContact N-OG 2.71Å; L2582-S2585 PolarHBondContact N-OG 3.39Å; L2582-S2585 VanDerWaalsContact N-OG 3.17Å; T2583-S2585 WeakPolarHBondContact O-CA 3.28Å; T2583-S2585 WeakPolarHBondContact O-CB 3.18Å; T2583-S2585 PolarHBondContact O-N 2.85Å; T2583-S2585 PolarHBondContact O-OG 2.72Å; T2583-S2585 WeakPolarHBondContact OG1-CB 3.35Å; T2583-S2585 PolarHBondContact OG1-N 2.85Å | ||
| 2586 | G | 27.6 | Very low | 33.2 | Very low | 28 Ų | 28 | 98.7 Ų | 98.7 | 29% | 0.289 | 52% | 0.515 | S | S | . | . | 88 | 65.3 | 59.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | K2557 | K2557-G2586 VanDerWaalsContact CE-N 3.3Š| |||
| 2587 | F | 33 | Very low | 32.8 | Very low | 147 Ų | 147 | 94.2 Ų | 94.2 | 65% | 0.645 | 49% | 0.494 | S | S | * | . | trans | 73.6 | 167 | 141.1 | -53.2 | -70.2 | 0 | 0 | 0 | 118 | ||||
| 2588 | V | 27.8 | Very low | 32.5 | Very low | 126 Ų | 126 | 92.3 Ų | 92.3 | 76% | 0.764 | 48% | 0.484 | S | S | * | . | trans | 70.1 | 128.4 | 170 | -149.2 | 0 | 0 | 0 | 0 | 111 | H2590 | V2588-H2590 VanDerWaalsContact C-N 3.28Å; V2588-H2590 PolarHBondContact O-N 3.25Å | ||
| 2589 | N | 27.8 | Very low | 31.7 | Very low | 141 Ų | 141 | 87.9 Ų | 87.9 | 75% | 0.754 | 47% | 0.466 | S | S | * | . | 24.9 | 67.5 | 98.8 | -108.8 | -22.8 | 0 | 0 | 0 | 114.5 | |||||
| 2590 | H | 27.7 | Very low | 31.1 | Very low | 154 Ų | 154 | 87.2 Ų | 87.2 | 71% | 0.713 | 47% | 0.467 | S | S | * | . | -176.9 | 104.4 | 112.8 | -92.7 | -19.1 | 0 | 0 | 0 | 113.7 | V2588 | V2588-H2590 VanDerWaalsContact C-N 3.28Å; V2588-H2590 PolarHBondContact O-N 3.25Å | |||
| 2591 | S | 31.5 | Very low | 29.9 | Very low | 84 Ų | 84 | 86.4 Ų | 86.4 | 59% | 0.587 | 46% | 0.459 | S | S | * | . | 85.2 | -166 | 91 | 82.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 2592 | R | 26 | Very low | 29.3 | Very low | 212 Ų | 212 | 87.3 Ų | 87.3 | 80% | 0.8 | 47% | 0.465 | S | S | * | . | trans | 46.2 | 101.7 | 156.9 | -73.4 | 169 | 179.8 | -179.8 | 1 | 116.7 | ||||
| 2593 | T | 21.4 | Very low | 29.5 | Very low | 120 Ų | 120 | 86.9 Ų | 86.9 | 74% | 0.736 | 46% | 0.459 | S | S | * | . | 18.4 | 110.5 | 116.6 | 57.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 2594 | P | 39.5 | Very low | 29.2 | Very low | 114 Ų | 114 | 88.1 Ų | 88.1 | 74% | 0.74 | 47% | 0.468 | S | S | * | . | -138.4 | 121.3 | 93.4 | 32.8 | -18.9 | 0 | 0 | 0 | 114.1 | H2596 | P2594-H2596 PolarHBondContact O-N 3.31Š| |||
| 2595 | R | 21.9 | Very low | 28.6 | Very low | 172 Ų | 172 | 87.1 Ų | 87.1 | 65% | 0.649 | 46% | 0.463 | S | S | * | . | trans | -71.3 | 119.6 | 161.5 | -61.2 | 169.4 | 177.9 | 144.4 | -0.9 | 108.4 | ||||
| 2596 | H | 24.5 | Very low | 28.2 | Very low | 122 Ų | 122 | 94.3 Ų | 94.3 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | trans | -168.5 | 178.5 | 139.8 | -101.7 | -59 | 0 | 0 | 0 | 111.7 | R1656 P2594 | R1656-H2596 PolarHBondContact NH2-O 2.87Å; P2594-H2596 PolarHBondContact O-N 3.31Å | ||
| 2597 | F | 25.3 | Very low | 28.3 | Very low | 61 Ų | 61 | 99.6 Ų | 99.6 | 27% | 0.268 | 52% | 0.516 | S | S | . | . | trans | 61.2 | 117.1 | -166.7 | -71.9 | -96.6 | 0 | 0 | 0 | 114.5 | R1656 I1884 V1888 | R1656-F2597 PolarHBondContact NE-O 2.84Å; R1656-F2597 VanDerWaalsContact NE-O 3.14Å; R1656-F2597 PolarHBondContact NH2-O 3.1Å; I1884-F2597 HydrophobicContact CB-CD1 4.15Å; I1884-F2597 HydrophobicContact CB-CE1 3.43Å; I1884-F2597 VanDerWaalsContact CB-CE1 3.43Å; I1884-F2597 HydrophobicContact CB-CZ 3.67Å; I1884-F2597 HydrophobicContact CD1-CE1 4.31Å; I1884-F2597 HydrophobicContact CD1-CE2 4.08Å; I1884-F2597 HydrophobicContact CD1-CZ 3.6Å; I1884-F2597 HydrophobicContact CG1-CE1 4.46Å; I1884-F2597 HydrophobicContact CG1-CZ 4.23Å; I1884-F2597 HydrophobicContact CG2-CD1 3.48Å; I1884-F2597 VanDerWaalsContact CG2-CD1 3.48Å; I1884-F2597 HydrophobicContact CG2-CD2 4.12Å; I1884-F2597 HydrophobicContact CG2-CE1 3.23Å; I1884-F2597 HydrophobicContact CG2-CE2 3.89Å; I1884-F2597 HydrophobicContact CG2-CG 3.98Å; I1884-F2597 HydrophobicContact CG2-CZ 3.47Å; I1884-F2597 VanDerWaalsContact CG2-CZ 3.47Å; V1888-F2597 HydrophobicContact CG2-CB 4.19Å; V1888-F2597 HydrophobicContact CG2-CD1 4.07Å; V1888-F2597 HydrophobicContact CG2-CG 4.28Å | ||
| 2598 | K | 26.3 | Very low | 28.1 | Very low | 58 Ų | 58 | 99.4 Ų | 99.4 | 25% | 0.252 | 56% | 0.556 | S | S | . | * | cis | 87.3 | 143 | 46.3 | -78.6 | -164.8 | -163.2 | 144.3 | 0 | 112.8 | Q1655 K1881 | Q1655-K2598 VanDerWaalsContact CD-O 3.32Å; Q1655-K2598 PolarHBondContact NE2-O 3.03Å; Q1655-K2598 PolarHBondContact OE1-O 3.1Å; K1881-K2598 HydrophobicContact CD-CD 4.4Å; K1881-K2598 HydrophobicContact CG-CD 4.12Å | ||
| 2599 | S | 23.8 | Very low | 28.1 | Very low | 25 Ų | 25 | 98.1 Ų | 98.1 | 18% | 0.175 | 55% | 0.545 | C | S | . | . | cis | -170.6 | 126.2 | -26.9 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | T1652 Q1655 | T1652-S2599 WeakPolarHBondContact OG1-CB 3.13Å; Q1655-S2599 VanDerWaalsContact CD-N 3.26Å; Q1655-S2599 PolarHBondContact OE1-O 3.19Å | ||
| 2600 | G | 26.2 | Very low | 28.1 | Very low | 37 Ų | 37 | 95.8 Ų | 95.8 | 38% | 0.381 | 53% | 0.534 | S | S | . | . | trans | 108.2 | 104.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | A1651 | A1651-G2600 WeakPolarHBondContact O-CA 3.1Å; A1651-G2600 PolarHBondContact O-N 2.87Å | ||
| 2601 | S | 31.1 | Very low | 28.1 | Very low | 28 Ų | 28 | 92.6 Ų | 92.6 | 20% | 0.196 | 52% | 0.524 | C | S | . | . | trans | 66.3 | 155.4 | 157.1 | -148.9 | 0 | 0 | 0 | 0 | 117.4 | S1654 Q1655 R2603 | S1654-S2601 CarbonylContact O-C 3.49Å; S1654-S2601 VanDerWaalsContact O-CA 3.27Å; S1654-S2601 WeakPolarHBondContact O-CA 3.5Å; S1654-S2601 PolarHBondContact O-N 3.48Å; Q1655-S2601 VanDerWaalsContact CA-O 3.31Å; Q1655-S2601 WeakPolarHBondContact CA-O 3.45Å; S2601-R2603 PolarHBondContact OG-NH1 3.23Å | ||
| 2602 | S | 34.8 | Very low | 27.9 | Very low | 55 Ų | 55 | 93.1 Ų | 93.1 | 39% | 0.385 | 52% | 0.52 | S | S | . | . | cis | -158.2 | 93.2 | 30.2 | -57.9 | 0 | 0 | 0 | 0 | 116.7 | C321 S1654 | C321-S2602 WeakPolarHBondContact CB-O 3.32Å; C321-S2602 PolarHBondContact SG-O 3.21Å; S1654-S2602 PolarHBondContact O-N 3.42Å | ||
| 2603 | R | 32.3 | Very low | 28.1 | Very low | 62 Ų | 62 | 85.7 Ų | 85.7 | 23% | 0.234 | 50% | 0.503 | C | S | . | . | 64.1 | 165.8 | 124.7 | -63.1 | 166.1 | 161.4 | 152.2 | -24.9 | 117.9 | L317 A320 C321 S536 E617 S2601 | L317-R2603 HydrophobicContact CD1-CB 4.17Å; L317-R2603 HydrophobicContact CD1-CG 3.68Å; L317-R2603 VanDerWaalsContact CD2-N 3.25Å; L317-R2603 CarbonylContact O-C 3.08Å; L317-R2603 WeakPolarHBondContact O-CA 3.27Å; A320-R2603 HydrophobicContact CB-CB 3.35Å; A320-R2603 HydrophobicContact CB-CG 3.45Å; A320-R2603 VanDerWaalsContact CB-CG 3.45Å; C321-R2603 HydrophobicContact CB-CB 3.42Å; C321-R2603 VanDerWaalsContact CB-CB 3.42Å; C321-R2603 WeakPolarHBondContact CB-O 3.14Å; S536-R2603 WeakPolarHBondContact OG-CD 3.43Å; E617-R2603 IonicContact OE1-CZ 2.79Å; E617-R2603 IonicContact OE1-NH2 3.51Å; E617-R2603 PolarHBondContact OE1-NH2 3.01Å; E617-R2603 IonicContact OE2-CZ 3.46Å; E617-R2603 IonicContact OE2-NE 3.77Å; E617-R2603 PolarHBondContact OE2-NE 2.94Å; E617-R2603 IonicContact OE2-NH2 3.32Å; E617-R2603 PolarHBondContact OE2-NH2 3.15Å; S2601-R2603 PolarHBondContact OG-NH1 3.23Å | |||
| 2604 | S | 31.9 | Very low | 28.5 | Very low | 45 Ų | 45 | 83.4 Ų | 83.4 | 32% | 0.315 | 49% | 0.487 | S | S | . | . | trans | 164.5 | 108.6 | 147.5 | -72.8 | 0 | 0 | 0 | 0 | 120.2 | L317 A318 C321 | L317-S2604 PolarHBondContact O-N 2.74Å; A318-S2604 CarbonylContact C-O 3.59Å; A318-S2604 VanDerWaalsContact CA-C 3.47Å; A318-S2604 WeakPolarHBondContact CA-O 3.37Å; A318-S2604 WeakPolarHBondContact CB-O 3.46Å; A318-S2604 CarbonylContact O-C 3.55Å; C321-S2604 WeakPolarHBondContact CB-OG 3.15Å; C321-S2604 PolarHBondContact O-OG 3.01Å | ||
| 2605 | S | 28.4 | Very low | 27.7 | Very low | 17 Ų | 17 | 81.2 Ų | 81.2 | 12% | 0.119 | 47% | 0.469 | C | S | . | . | trans | -44.5 | 153.4 | 179.3 | -26.5 | 0 | 0 | 0 | 0 | 120 | A318 R319 L322 Q620 | A318-S2605 CarbonylContact O-C 3.29Å; A318-S2605 VanDerWaalsContact O-CA 3.31Å; A318-S2605 WeakPolarHBondContact O-CA 3.23Å; R319-S2605 VanDerWaalsContact C-N 3.3Å; R319-S2605 VanDerWaalsContact C-OG 3.27Å; R319-S2605 WeakPolarHBondContact O-CB 3.28Å; R319-S2605 PolarHBondContact O-OG 3.42Å; L322-S2605 WeakPolarHBondContact CD1-OG 3.31Å; Q620-S2605 PolarHBondContact NE2-OG 3.18Å | ||
| 2606 | R | 24.2 | Very low | 28.2 | Very low | 173 Ų | 173 | 74.2 Ų | 74.2 | 65% | 0.653 | 46% | 0.456 | S | S | * | . | S | Bend | 50 | 121.1 | 91.9 | -151 | -174.6 | -166.9 | -167.8 | 6.2 | 111.3 | G2608 | R2606-G2608 PolarHBondContact O-N 2.73Š| |
| 2607 | P | 29.3 | Very low | 28.5 | Very low | 138 Ų | 138 | 70.3 Ų | 70.3 | 90% | 0.896 | 45% | 0.446 | S | S | * | . | -70.5 | 120.1 | -128.5 | 25 | -36.1 | 0 | 0 | 0 | 114.8 | |||||
| 2608 | G | 28.2 | Very low | 28.8 | Very low | 144 Ų | 144 | 71.1 Ų | 71.1 | 100% | 1.485 | 46% | 0.463 | S | S | * | . | trans | -154.7 | 0 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | R2606 | R2606-G2608 PolarHBondContact O-N 2.73Š|
Retrieved 2,608 of 2,608 residues in 720.6 ms
(Link to these results)