| 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 | 38.3 | Very low | 38.7 | Very low | 231 Ų | 231 | 125 Ų | 125 | 100% | 1.138 | 80% | 0.798 | S | S | * | * | 0 | 98.7 | 0 | -68.1 | 160.8 | 174.8 | 0 | 0 | 106.3 | |||||
| 2 | S | 35 | Very low | 38.5 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | 74.6 | 108.1 | 78.1 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 3 | T | 42.7 | Very low | 38.3 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -52.8 | 161.7 | 168.6 | 40.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 4 | P | 47.6 | Very low | 38.4 | Very low | 125 Ų | 125 | 123 Ų | 123 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | cis | -133 | 174.5 | 42.3 | 36.8 | -17 | 0 | 0 | 0 | 115.9 | ||||
| 5 | G | 38.1 | Very low | 38.9 | Very low | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | cis | 111.4 | 74 | 5.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 6 | V | 36.3 | Very low | 39.3 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | trans | -111.1 | 94.1 | 179.3 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | A8 | V6-A8 VanDerWaalsContact C-N 3.34Å; V6-A8 PolarHBondContact O-N 3.41Å | ||
| 7 | N | 37.9 | Very low | 39.6 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | -74.4 | 86.6 | 171.4 | -74.2 | -7.9 | 0 | 0 | 0 | 109.7 | S9 | N7-S9 PolarHBondContact O-N 2.98Š| ||
| 8 | A | 34.6 | Very low | 40.1 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 65% | 0.645 | 77% | 0.765 | S | S | * | * | trans | -75.8 | 67.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V6 T10 | V6-A8 VanDerWaalsContact C-N 3.34Å; V6-A8 PolarHBondContact O-N 3.41Å; A8-T10 VanDerWaalsContact C-N 3.31Å; A8-T10 PolarHBondContact O-N 3.42Å | ||
| 9 | S | 36.5 | Very low | 41.2 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | -69.8 | 86.3 | 171.4 | 54.7 | 0 | 0 | 0 | 0 | 109.8 | N7 S11 | N7-S9 PolarHBondContact O-N 2.98Å; S9-S11 PolarHBondContact O-N 2.97Å | ||
| 10 | T | 36.1 | Very low | 42.7 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | trans | -74.9 | 62.9 | -179.6 | 35.7 | 0 | 0 | 0 | 0 | 112.6 | A8 L12 | A8-T10 VanDerWaalsContact C-N 3.31Å; A8-T10 PolarHBondContact O-N 3.42Å; T10-L12 VanDerWaalsContact C-N 3.31Å; T10-L12 PolarHBondContact O-N 2.94Å | ||
| 11 | S | 42.5 | Very low | 44.7 | Very low | 108 Ų | 108 | 119.6 Ų | 119.6 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | trans | -70.3 | 85.4 | 163.6 | 56.3 | 0 | 0 | 0 | 0 | 109.7 | S9 | S9-S11 PolarHBondContact O-N 2.97Š| ||
| 12 | L | 37 | Very low | 47 | Very low | 154 Ų | 154 | 112.1 Ų | 112.1 | 81% | 0.806 | 68% | 0.679 | S | S | * | * | trans | -139 | 118.8 | 179.3 | -146 | 81 | 0 | 0 | 0 | 112.8 | T10 | T10-L12 VanDerWaalsContact C-N 3.31Å; T10-L12 PolarHBondContact O-N 2.94Å | ||
| 13 | S | 35.3 | Very low | 49.6 | Very low | 77 Ų | 77 | 111.9 Ų | 111.9 | 54% | 0.538 | 67% | 0.668 | S | S | . | * | trans | 58.3 | 109 | 164.5 | -76.6 | 0 | 0 | 0 | 0 | 119.5 | D15 | S13-D15 WeakPolarHBondContact CB-OD2 3.17Å; S13-D15 PolarHBondContact O-N 3.34Å; S13-D15 PolarHBondContact OG-OD2 2.87Å | ||
| 14 | P | 40.5 | Very low | 51.8 | Low | 116 Ų | 116 | 106 Ų | 106 | 75% | 0.753 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -71.6 | -3.3 | 162.7 | 32.7 | -34.9 | 0 | 0 | 0 | 113.4 | R16 | P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.97Å; P14-R16 VanDerWaalsContact O-N 3.09Å |
| 15 | D | 45.1 | Very low | 53.9 | Low | 108 Ų | 108 | 101.5 Ų | 101.5 | 58% | 0.578 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -70.8 | -6.2 | -164.9 | -50.6 | -68.2 | 0 | 0 | 0 | 116 | S13 | S13-D15 WeakPolarHBondContact CB-OD2 3.17Å; S13-D15 PolarHBondContact O-N 3.34Å; S13-D15 PolarHBondContact OG-OD2 2.87Å |
| 16 | R | 45.6 | Very low | 56.4 | Low | 229 Ų | 229 | 102.1 Ų | 102.1 | 86% | 0.864 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -83.6 | -13.4 | -177.9 | -72.7 | -163.9 | -179.7 | -156.5 | 2.9 | 115.1 | P14 | P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 2.97Å; P14-R16 VanDerWaalsContact O-N 3.09Å |
| 17 | L | 43.7 | Very low | 59.1 | Low | 152 Ų | 152 | 98.1 Ų | 98.1 | 80% | 0.796 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -16.2 | -170.2 | -156.5 | 62.8 | 0 | 0 | 0 | 114.4 | ||
| 18 | N | 49.7 | Very low | 61.7 | Low | 122 Ų | 122 | 93.4 Ų | 93.4 | 65% | 0.652 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 0.3 | -170.2 | -65.4 | -20.2 | 0 | 0 | 0 | 115 | T22 | N18-T22 VanDerWaalsContact O-CG2 3.3Å; N18-T22 WeakPolarHBondContact O-CG2 3.18Å; N18-T22 PolarHBondContact O-OG1 3.36Å |
| 19 | S | 60 | Low | 64.5 | Low | 70 Ų | 70 | 94.4 Ų | 94.4 | 49% | 0.49 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -83.1 | -19.7 | -165.5 | -55.1 | 0 | 0 | 0 | 0 | 119 | T22 | S19-T22 WeakPolarHBondContact CA-OG1 3.5Å; S19-T22 PolarHBondContact O-OG1 3.3Å |
| 20 | P | 70.9 | Confident | 67.1 | Low | 66 Ų | 66 | 94.7 Ų | 94.7 | 43% | 0.429 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -80.7 | -44.2 | -176.6 | 28 | -30.6 | 0 | 0 | 0 | 113.3 | P24 Y80 | P20-P24 VanDerWaalsContact O-CD 3.28Å; P20-P24 WeakPolarHBondContact O-CD 3.32Å; P20-Y80 HydrophobicContact CB-CD1 4.24Å; P20-Y80 WeakPolarHBondContact O-CD1 3.46Å |
| 21 | V | 84.6 | Confident | 69.8 | Low | 43 Ų | 43 | 88.5 Ų | 88.5 | 26% | 0.261 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -78.4 | -24.5 | -175.1 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | I23 P24 A25 I77 Y80 M81 | V21-I23 PolarHBondContact O-N 3.12Å; V21-P24 VanDerWaalsContact O-CD 3.29Å; V21-P24 WeakPolarHBondContact O-CD 3.41Å; V21-P24 WeakPolarHBondContact O-CG 3.24Å; V21-A25 VanDerWaalsContact O-CB 3.31Å; V21-A25 WeakPolarHBondContact O-CB 3.32Å; V21-A25 PolarHBondContact O-N 2.87Å; V21-A25 VanDerWaalsContact O-N 3.14Å; V21-I77 HydrophobicContact CG1-CG2 4.25Å; V21-Y80 WeakPolarHBondContact CG2-O 3.42Å; V21-M81 HydrophobicContact CG1-CG 3.91Å; V21-M81 HydrophobicContact CG2-CG 3.86Å |
| 22 | T | 88.1 | Confident | 72.2 | Confident | 74 Ų | 74 | 84.9 Ų | 84.9 | 45% | 0.454 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.8 | -34.8 | -177.3 | 34.3 | 0 | 0 | 0 | 0 | 113.2 | N18 S19 V26 | N18-T22 VanDerWaalsContact O-CG2 3.3Å; N18-T22 WeakPolarHBondContact O-CG2 3.18Å; N18-T22 PolarHBondContact O-OG1 3.36Å; S19-T22 WeakPolarHBondContact CA-OG1 3.5Å; S19-T22 PolarHBondContact O-OG1 3.3Å; T22-V26 WeakPolarHBondContact O-CB 3.32Å; T22-V26 VanDerWaalsContact O-CG2 3.26Å; T22-V26 WeakPolarHBondContact O-CG2 3.29Å; T22-V26 PolarHBondContact O-N 3.43Å |
| 23 | I | 88.7 | Confident | 74.8 | Confident | 106 Ų | 106 | 81.2 Ų | 81.2 | 54% | 0.544 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.5 | -59.1 | 177.6 | -60.7 | 173.7 | 0 | 0 | 0 | 112 | V21 A25 V26 M27 | V21-I23 PolarHBondContact O-N 3.12Å; I23-A25 VanDerWaalsContact C-N 3.29Å; I23-A25 PolarHBondContact O-N 2.71Å; I23-V26 PolarHBondContact O-N 2.77Å; I23-M27 HydrophobicContact CG2-SD 4.13Å; I23-M27 WeakPolarHBondContact O-CG 3.29Å; I23-M27 PolarHBondContact O-N 2.99Å |
| 24 | P | 89.8 | Confident | 77.4 | Confident | 11 Ų | 11 | 77.6 Ų | 77.6 | 7% | 0.071 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.1 | -30.3 | 178.6 | 25.5 | -34.4 | 0 | 0 | 0 | 112.9 | P20 V21 M27 F28 T76 I77 Y80 | P20-P24 VanDerWaalsContact O-CD 3.28Å; P20-P24 WeakPolarHBondContact O-CD 3.32Å; V21-P24 VanDerWaalsContact O-CD 3.29Å; V21-P24 WeakPolarHBondContact O-CD 3.41Å; V21-P24 WeakPolarHBondContact O-CG 3.24Å; P24-M27 PolarHBondContact O-N 3.39Å; P24-F28 VanDerWaalsContact O-CB 3.31Å; P24-F28 WeakPolarHBondContact O-CB 3.4Å; P24-F28 PolarHBondContact O-N 2.86Å; P24-T76 HydrophobicContact CB-CG2 4.14Å; P24-I77 HydrophobicContact CB-CG1 4.04Å; P24-I77 HydrophobicContact CG-CG1 4.4Å; P24-Y80 HydrophobicContact CG-CD1 4.27Å; P24-Y80 HydrophobicContact CG-CD2 4.02Å; P24-Y80 HydrophobicContact CG-CE2 4.47Å; P24-Y80 HydrophobicContact CG-CG 3.9Å |
| 25 | A | 91.2 | Very high | 79.8 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 26% | 0.256 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | V21 I23 F28 I29 | V21-A25 VanDerWaalsContact O-CB 3.31Å; V21-A25 WeakPolarHBondContact O-CB 3.32Å; V21-A25 PolarHBondContact O-N 2.87Å; V21-A25 VanDerWaalsContact O-N 3.14Å; I23-A25 VanDerWaalsContact C-N 3.29Å; I23-A25 PolarHBondContact O-N 2.71Å; A25-F28 PolarHBondContact O-N 3.38Å; A25-I29 VanDerWaalsContact O-CG1 3.3Å; A25-I29 WeakPolarHBondContact O-CG1 3.17Å; A25-I29 PolarHBondContact O-N 2.75Å |
| 26 | V | 91.5 | Very high | 82 | Confident | 77 Ų | 77 | 71.5 Ų | 71.5 | 47% | 0.467 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 174.3 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | T22 I23 F28 I29 F30 | T22-V26 WeakPolarHBondContact O-CB 3.32Å; T22-V26 VanDerWaalsContact O-CG2 3.26Å; T22-V26 WeakPolarHBondContact O-CG2 3.29Å; T22-V26 PolarHBondContact O-N 3.43Å; I23-V26 PolarHBondContact O-N 2.77Å; V26-F28 VanDerWaalsContact C-N 3.32Å; V26-F28 PolarHBondContact O-N 2.96Å; V26-I29 PolarHBondContact O-N 2.84Å; V26-F30 HydrophobicContact CG1-CD2 3.79Å; V26-F30 HydrophobicContact CG1-CE2 3.97Å; V26-F30 WeakPolarHBondContact O-CD2 3.39Å; V26-F30 PolarHBondContact O-N 2.79Å |
| 27 | M | 91.2 | Very high | 84.1 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 26% | 0.261 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.1 | -45 | 175.4 | -73.3 | 179.3 | 73.1 | 0 | 0 | 112 | I23 P24 F30 G31 V322 I325 | I23-M27 HydrophobicContact CG2-SD 4.13Å; I23-M27 WeakPolarHBondContact O-CG 3.29Å; I23-M27 PolarHBondContact O-N 2.99Å; P24-M27 PolarHBondContact O-N 3.39Å; M27-F30 PolarHBondContact O-N 3.12Å; M27-G31 PolarHBondContact O-N 3.3Å; M27-V322 HydrophobicContact CE-CG2 3.91Å; M27-I325 HydrophobicContact CB-CD1 3.7Å; M27-I325 HydrophobicContact CE-CD1 3.7Å; M27-I325 HydrophobicContact CG-CD1 3.75Å |
| 28 | F | 93.6 | Very high | 86.2 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 25% | 0.254 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.6 | -49.2 | 176.3 | 176.7 | -118.2 | 0 | 0 | 0 | 112.4 | P24 A25 V26 F30 G31 V32 T69 L70 I77 | P24-F28 VanDerWaalsContact O-CB 3.31Å; P24-F28 WeakPolarHBondContact O-CB 3.4Å; P24-F28 PolarHBondContact O-N 2.86Å; A25-F28 PolarHBondContact O-N 3.38Å; V26-F28 VanDerWaalsContact C-N 3.32Å; V26-F28 PolarHBondContact O-N 2.96Å; F28-F30 PolarHBondContact O-N 3.43Å; F28-G31 PolarHBondContact O-N 2.69Å; F28-V32 HydrophobicContact CD2-CG2 3.85Å; F28-V32 HydrophobicContact CE2-CG2 3.53Å; F28-V32 HydrophobicContact CZ-CG2 3.98Å; F28-V32 WeakPolarHBondContact O-CB 3.4Å; F28-V32 WeakPolarHBondContact O-CG2 3.42Å; F28-V32 PolarHBondContact O-N 3.35Å; F28-T69 HydrophobicContact CD2-CG2 3.91Å; F28-T69 HydrophobicContact CE2-CG2 4.43Å; F28-L70 HydrophobicContact CE2-CD2 4.08Å; F28-L70 HydrophobicContact CZ-CD2 4.19Å; F28-I77 HydrophobicContact CB-CD1 4.19Å; F28-I77 HydrophobicContact CD1-CD1 4.38Å; F28-I77 HydrophobicContact CG-CD1 4.33Å |
| 29 | I | 92.9 | Very high | 88.1 | Confident | 98 Ų | 98 | 52.1 Ų | 52.1 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 179 | -68.5 | 163.8 | 0 | 0 | 0 | 110.8 | A25 V26 V33 | A25-I29 VanDerWaalsContact O-CG1 3.3Å; A25-I29 WeakPolarHBondContact O-CG1 3.17Å; A25-I29 PolarHBondContact O-N 2.75Å; V26-I29 PolarHBondContact O-N 2.84Å; I29-V33 HydrophobicContact CG2-CG2 4.33Å; I29-V33 VanDerWaalsContact O-CB 3.29Å; I29-V33 WeakPolarHBondContact O-CB 3.45Å; I29-V33 VanDerWaalsContact O-CG2 3.26Å; I29-V33 WeakPolarHBondContact O-CG2 3.31Å; I29-V33 PolarHBondContact O-N 2.89Å |
| 30 | F | 91.8 | Very high | 89.3 | Confident | 105 Ų | 105 | 53.1 Ų | 53.1 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | 179.9 | -87.8 | -98.3 | 0 | 0 | 0 | 112.8 | V26 M27 F28 G34 I325 W329 | V26-F30 HydrophobicContact CG1-CD2 3.79Å; V26-F30 HydrophobicContact CG1-CE2 3.97Å; V26-F30 WeakPolarHBondContact O-CD2 3.39Å; V26-F30 PolarHBondContact O-N 2.79Å; M27-F30 PolarHBondContact O-N 3.12Å; F28-F30 PolarHBondContact O-N 3.43Å; F30-G34 WeakPolarHBondContact O-CA 3.29Å; F30-G34 PolarHBondContact O-N 2.91Å; F30-I325 HydrophobicContact CB-CG2 3.95Å; F30-W329 HydrophobicContact CD1-CZ2 4.01Å; F30-W329 HydrophobicContact CE1-CZ2 4.34Å |
| 31 | G | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.9 | -47 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M27 F28 N35 | M27-G31 PolarHBondContact O-N 3.3Å; F28-G31 PolarHBondContact O-N 2.69Å; G31-N35 WeakPolarHBondContact O-CB 3.16Å; G31-N35 PolarHBondContact O-N 3.18Å; G31-N35 PolarHBondContact O-ND2 3.01Å |
| 32 | V | 93.8 | Very high | 89.7 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.7 | -50 | 178.8 | 172 | 0 | 0 | 0 | 0 | 111.3 | F28 L36 L66 T69 L70 | F28-V32 HydrophobicContact CD2-CG2 3.85Å; F28-V32 HydrophobicContact CE2-CG2 3.53Å; F28-V32 HydrophobicContact CZ-CG2 3.98Å; F28-V32 WeakPolarHBondContact O-CB 3.4Å; F28-V32 WeakPolarHBondContact O-CG2 3.42Å; F28-V32 PolarHBondContact O-N 3.35Å; V32-L36 WeakPolarHBondContact O-CB 3.38Å; V32-L36 PolarHBondContact O-N 3.4Å; V32-L66 HydrophobicContact CB-CD1 4.31Å; V32-L66 HydrophobicContact CG1-CD1 4.11Å; V32-L66 HydrophobicContact CG2-CD1 4.25Å; V32-T69 HydrophobicContact CG2-CG2 3.92Å; V32-L70 HydrophobicContact CG2-CD2 4.01Å; V32-L70 HydrophobicContact CG2-CG 4.41Å |
| 33 | V | 91 | Very high | 89.3 | Confident | 78 Ų | 78 | 50 Ų | 50 | 47% | 0.473 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | -179.6 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | I29 V37 | I29-V33 HydrophobicContact CG2-CG2 4.33Å; I29-V33 VanDerWaalsContact O-CB 3.29Å; I29-V33 WeakPolarHBondContact O-CB 3.45Å; I29-V33 VanDerWaalsContact O-CG2 3.26Å; I29-V33 WeakPolarHBondContact O-CG2 3.31Å; I29-V33 PolarHBondContact O-N 2.89Å; V33-V37 HydrophobicContact CG1-CG2 4.34Å; V33-V37 WeakPolarHBondContact O-CB 3.42Å; V33-V37 VanDerWaalsContact O-CG2 3.25Å; V33-V37 WeakPolarHBondContact O-CG2 3.37Å; V33-V37 PolarHBondContact O-N 3.27Å |
| 34 | G | 89.5 | Confident | 88.7 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.5 | -55.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F30 V37 A38 P328 | F30-G34 WeakPolarHBondContact O-CA 3.29Å; F30-G34 PolarHBondContact O-N 2.91Å; G34-V37 PolarHBondContact O-N 2.78Å; G34-A38 WeakPolarHBondContact O-CB 3.36Å; G34-A38 PolarHBondContact O-N 2.87Å; G34-P328 VanDerWaalsContact O-CB 3.28Å; G34-P328 WeakPolarHBondContact O-CB 3.37Å |
| 35 | N | 92.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.2 | -37.7 | -178.3 | -73.1 | -62.8 | 0 | 0 | 0 | 112.9 | G31 V37 A38 I39 L66 P324 P328 | G31-N35 WeakPolarHBondContact O-CB 3.16Å; G31-N35 PolarHBondContact O-N 3.18Å; G31-N35 PolarHBondContact O-ND2 3.01Å; N35-V37 PolarHBondContact O-N 3.24Å; N35-A38 PolarHBondContact O-N 2.97Å; N35-I39 WeakPolarHBondContact O-CB 3.39Å; N35-I39 WeakPolarHBondContact O-CD1 3.25Å; N35-I39 VanDerWaalsContact O-CG1 3.24Å; N35-I39 WeakPolarHBondContact O-CG1 3.31Å; N35-I39 PolarHBondContact O-N 3.04Å; N35-L66 HydrophobicContact CB-CB 3.89Å; N35-L66 HydrophobicContact CB-CD1 4.39Å; N35-P324 PolarHBondContact ND2-O 3.04Å; N35-P328 WeakPolarHBondContact OD1-CD 3.21Å |
| 36 | L | 91.2 | Very high | 86.7 | Confident | 95 Ų | 95 | 55 Ų | 55 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 175.7 | -173.6 | 63.8 | 0 | 0 | 0 | 111.7 | V32 I39 V40 | V32-L36 WeakPolarHBondContact O-CB 3.38Å; V32-L36 PolarHBondContact O-N 3.4Å; L36-I39 PolarHBondContact O-N 3.3Å; L36-V40 WeakPolarHBondContact O-CG2 3.21Å; L36-V40 PolarHBondContact O-N 2.8Å |
| 37 | V | 88.6 | Confident | 85.3 | Confident | 68 Ų | 68 | 60.6 Ų | 60.6 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 173.8 | 170.2 | 0 | 0 | 0 | 0 | 111 | V33 G34 N35 V40 V41 I332 | V33-V37 HydrophobicContact CG1-CG2 4.34Å; V33-V37 WeakPolarHBondContact O-CB 3.42Å; V33-V37 VanDerWaalsContact O-CG2 3.25Å; V33-V37 WeakPolarHBondContact O-CG2 3.37Å; V33-V37 PolarHBondContact O-N 3.27Å; G34-V37 PolarHBondContact O-N 2.78Å; N35-V37 PolarHBondContact O-N 3.24Å; V37-V40 PolarHBondContact O-N 3.31Å; V37-V41 HydrophobicContact CG1-CG2 4.32Å; V37-V41 WeakPolarHBondContact O-CB 3.38Å; V37-V41 VanDerWaalsContact O-CG2 3.26Å; V37-V41 WeakPolarHBondContact O-CG2 3.46Å; V37-V41 PolarHBondContact O-N 3.32Å; V37-I332 HydrophobicContact CB-CD1 4.44Å; V37-I332 HydrophobicContact CG1-CD1 3.85Å |
| 38 | A | 88.1 | Confident | 83.9 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.9 | -50.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G34 N35 V40 V41 L42 P328 | G34-A38 WeakPolarHBondContact O-CB 3.36Å; G34-A38 PolarHBondContact O-N 2.87Å; N35-A38 PolarHBondContact O-N 2.97Å; A38-V40 PolarHBondContact O-N 3.23Å; A38-V41 PolarHBondContact O-N 2.84Å; A38-L42 HydrophobicContact CB-CD1 4.49Å; A38-L42 VanDerWaalsContact O-CB 3.3Å; A38-L42 WeakPolarHBondContact O-CB 3.26Å; A38-L42 WeakPolarHBondContact O-CD1 3.37Å; A38-L42 WeakPolarHBondContact O-CG 3.43Å; A38-L42 PolarHBondContact O-N 3.27Å; A38-P328 HydrophobicContact CB-CB 3.82Å |
| 39 | I | 89.1 | Confident | 82.1 | Confident | 25 Ų | 25 | 66.8 Ų | 66.8 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.7 | -49.8 | 176.8 | -68.4 | 161.6 | 0 | 0 | 0 | 110.7 | N35 L36 V41 L42 C43 A62 V63 L66 | N35-I39 WeakPolarHBondContact O-CB 3.39Å; N35-I39 WeakPolarHBondContact O-CD1 3.25Å; N35-I39 VanDerWaalsContact O-CG1 3.24Å; N35-I39 WeakPolarHBondContact O-CG1 3.31Å; N35-I39 PolarHBondContact O-N 3.04Å; L36-I39 PolarHBondContact O-N 3.3Å; I39-V41 VanDerWaalsContact C-N 3.35Å; I39-V41 PolarHBondContact O-N 3.04Å; I39-L42 PolarHBondContact O-N 2.87Å; I39-C43 VanDerWaalsContact O-CB 3.29Å; I39-C43 WeakPolarHBondContact O-CB 3.47Å; I39-C43 PolarHBondContact O-N 3.42Å; I39-C43 PolarHBondContact O-SG 3.3Å; I39-A62 HydrophobicContact CD1-CB 4.48Å; I39-A62 HydrophobicContact CG1-CB 3.82Å; I39-V63 HydrophobicContact CD1-CG2 3.76Å; I39-V63 HydrophobicContact CG1-CG2 4.13Å; I39-L66 HydrophobicContact CD1-CB 4.34Å; I39-L66 HydrophobicContact CD1-CD2 3.7Å |
| 40 | V | 85.9 | Confident | 80.2 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.2 | -42.4 | 179.4 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | L36 V37 A38 K44 | L36-V40 WeakPolarHBondContact O-CG2 3.21Å; L36-V40 PolarHBondContact O-N 2.8Å; V37-V40 PolarHBondContact O-N 3.31Å; A38-V40 PolarHBondContact O-N 3.23Å; V40-K44 WeakPolarHBondContact O-CB 3.38Å; V40-K44 PolarHBondContact O-N 3.27Å |
| 41 | V | 83.1 | Confident | 78.4 | Confident | 46 Ų | 46 | 70.1 Ų | 70.1 | 28% | 0.279 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | 177 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | V37 A38 I39 S45 | V37-V41 HydrophobicContact CG1-CG2 4.32Å; V37-V41 WeakPolarHBondContact O-CB 3.38Å; V37-V41 VanDerWaalsContact O-CG2 3.26Å; V37-V41 WeakPolarHBondContact O-CG2 3.46Å; V37-V41 PolarHBondContact O-N 3.32Å; A38-V41 PolarHBondContact O-N 2.84Å; I39-V41 VanDerWaalsContact C-N 3.35Å; I39-V41 PolarHBondContact O-N 3.04Å; V41-S45 WeakPolarHBondContact O-CB 3.24Å; V41-S45 PolarHBondContact O-N 3.45Å |
| 42 | L | 81 | Confident | 77.5 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.3 | -49.7 | 178 | -72.1 | 162.7 | 0 | 0 | 0 | 111 | A38 I39 K44 S45 R46 Y55 V58 A62 | A38-L42 HydrophobicContact CB-CD1 4.49Å; A38-L42 VanDerWaalsContact O-CB 3.3Å; A38-L42 WeakPolarHBondContact O-CB 3.26Å; A38-L42 WeakPolarHBondContact O-CD1 3.37Å; A38-L42 WeakPolarHBondContact O-CG 3.43Å; A38-L42 PolarHBondContact O-N 3.27Å; I39-L42 PolarHBondContact O-N 2.87Å; L42-K44 VanDerWaalsContact C-N 3.34Å; L42-K44 PolarHBondContact O-N 3.32Å; L42-S45 PolarHBondContact O-N 3.35Å; L42-R46 WeakPolarHBondContact O-CB 3.36Å; L42-R46 PolarHBondContact O-N 2.85Å; L42-Y55 HydrophobicContact CD2-CD1 3.91Å; L42-Y55 HydrophobicContact CD2-CE1 4.42Å; L42-V58 HydrophobicContact CD1-CG1 3.69Å; L42-V58 HydrophobicContact CD2-CG1 3.67Å; L42-V58 HydrophobicContact CG-CG1 4.35Å; L42-A62 HydrophobicContact CD1-CB 4.43Å |
| 43 | C | 79.1 | Confident | 76.8 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 38% | 0.378 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 177.3 | -71.3 | 0 | 0 | 0 | 0 | 112.5 | I39 K47 | I39-C43 VanDerWaalsContact O-CB 3.29Å; I39-C43 WeakPolarHBondContact O-CB 3.47Å; I39-C43 PolarHBondContact O-N 3.42Å; I39-C43 PolarHBondContact O-SG 3.3Å; C43-K47 PolarHBondContact O-N 3.4Å |
| 44 | K | 76.8 | Confident | 76.5 | Confident | 151 Ų | 151 | 67.1 Ų | 67.1 | 66% | 0.657 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -68.7 | -47.8 | 173.4 | -175.8 | 165.5 | -179.1 | 169.1 | 0 | 111.6 | V40 L42 R46 K47 E48 | V40-K44 WeakPolarHBondContact O-CB 3.38Å; V40-K44 PolarHBondContact O-N 3.27Å; L42-K44 VanDerWaalsContact C-N 3.34Å; L42-K44 PolarHBondContact O-N 3.32Å; K44-R46 PolarHBondContact O-N 3.19Å; K44-K47 PolarHBondContact O-N 3Å; K44-K47 VanDerWaalsContact O-N 3.12Å; K44-E48 PolarHBondContact O-N 3.18Å |
| 45 | S | 71.3 | Confident | 76.2 | Confident | 14 Ų | 14 | 68.9 Ų | 68.9 | 10% | 0.098 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.8 | -28.3 | -179.5 | -161.7 | 0 | 0 | 0 | 0 | 112.9 | V41 L42 E48 Q49 | V41-S45 WeakPolarHBondContact O-CB 3.24Å; V41-S45 PolarHBondContact O-N 3.45Å; L42-S45 PolarHBondContact O-N 3.35Å; S45-E48 PolarHBondContact O-N 3.16Å; S45-Q49 WeakPolarHBondContact O-CB 3.46Å; S45-Q49 PolarHBondContact O-N 3.45Å |
| 46 | R | 68.1 | Low | 76 | Confident | 89 Ų | 89 | 69.8 Ų | 69.8 | 34% | 0.336 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.3 | -33.8 | 173.7 | 173.7 | -179.2 | 161 | 179.9 | -3.3 | 112.6 | L42 K44 E48 E51 | L42-R46 WeakPolarHBondContact O-CB 3.36Å; L42-R46 PolarHBondContact O-N 2.85Å; K44-R46 PolarHBondContact O-N 3.19Å; R46-E48 VanDerWaalsContact C-N 3.32Å; R46-E51 HydrophobicContact CG-CB 4.03Å; R46-E51 HydrophobicContact CG-CG 3.74Å; R46-E51 IonicContact CZ-OE1 2.91Å; R46-E51 IonicContact NE-OE1 3.18Å; R46-E51 PolarHBondContact NE-OE1 3.33Å; R46-E51 IonicContact NH2-OE1 3.65Å; R46-E51 PolarHBondContact NH2-OE1 3.05Å; R46-E51 WeakPolarHBondContact O-CG 3.37Å |
| 47 | K | 61.3 | Low | 75.9 | Confident | 194 Ų | 194 | 65.5 Ų | 65.5 | 84% | 0.843 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -73.4 | -25.1 | 173.3 | -69.3 | -175 | 178.8 | -174.7 | 0 | 112.7 | C43 K44 | C43-K47 PolarHBondContact O-N 3.4Å; K44-K47 PolarHBondContact O-N 3Å; K44-K47 VanDerWaalsContact O-N 3.12Å |
| 48 | E | 62 | Low | 76 | Confident | 136 Ų | 136 | 62.3 Ų | 62.3 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -97.2 | -37.1 | -172.8 | -165.7 | -177.4 | 154.1 | 0 | 0 | 113.4 | K44 S45 R46 | K44-E48 PolarHBondContact O-N 3.18Å; S45-E48 PolarHBondContact O-N 3.16Å; R46-E48 VanDerWaalsContact C-N 3.32Å |
| 49 | Q | 56.1 | Low | 76 | Confident | 106 Ų | 106 | 63.1 Ų | 63.1 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -99.8 | 124.3 | 171.3 | -60.3 | -75.9 | -59.2 | 0 | 0 | 108.3 | S45 E51 | S45-Q49 WeakPolarHBondContact O-CB 3.46Å; S45-Q49 PolarHBondContact O-N 3.45Å; Q49-E51 PolarHBondContact O-N 3.49Å |
| 50 | K | 52.8 | Low | 76.2 | Confident | 209 Ų | 209 | 62.4 Ų | 62.4 | 91% | 0.909 | 30% | 0.303 | S | S | * | . | trans | -43.3 | 114.3 | 179.1 | -76.9 | -170 | 174.7 | -171.9 | 0 | 110.6 | T52 | K50-T52 PolarHBondContact O-N 3.3Š| ||
| 51 | E | 54.2 | Low | 76.5 | Confident | 63 Ų | 63 | 58 Ų | 58 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | trans | -52.5 | 127.2 | -161.4 | -41.3 | 170.2 | 110.3 | 0 | 0 | 112.4 | R46 Q49 K133 | R46-E51 HydrophobicContact CG-CB 4.03Å; R46-E51 HydrophobicContact CG-CG 3.74Å; R46-E51 IonicContact CZ-OE1 2.91Å; R46-E51 IonicContact NE-OE1 3.18Å; R46-E51 PolarHBondContact NE-OE1 3.33Å; R46-E51 IonicContact NH2-OE1 3.65Å; R46-E51 PolarHBondContact NH2-OE1 3.05Å; R46-E51 WeakPolarHBondContact O-CG 3.37Å; Q49-E51 PolarHBondContact O-N 3.49Å; E51-K133 HydrophobicContact CB-CD 4.32Å; E51-K133 VanDerWaalsContact O-CE 3.29Å; E51-K133 WeakPolarHBondContact O-CE 3.37Å; E51-K133 WeakPolarHBondContact OE2-CE 3.2Å; E51-K133 IonicContact OE2-NZ 3.18Å; E51-K133 PolarHBondContact OE2-NZ 3.32Å | ||
| 52 | T | 72.4 | Confident | 77 | Confident | 36 Ų | 36 | 55.9 Ų | 55.9 | 22% | 0.221 | 26% | 0.264 | C | S | . | . | trans | -103 | 151.1 | 174.4 | 68.5 | 0 | 0 | 0 | 0 | 111.8 | K50 F54 Y55 T56 M272 | K50-T52 PolarHBondContact O-N 3.3Å; T52-F54 PolarHBondContact O-N 3.41Å; T52-Y55 HydrophobicContact CG2-CD2 4.47Å; T52-Y55 PolarHBondContact O-N 3.19Å; T52-Y55 WeakPolarHBondContact OG1-CD2 3.15Å; T52-Y55 PolarHBondContact OG1-N 3.35Å; T52-T56 PolarHBondContact O-N 2.94Å; T52-T56 PolarHBondContact O-OG1 3.48Å; T52-M272 HydrophobicContact CG2-CE 4.41Å | ||
| 53 | T | 80 | Confident | 77.6 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 6% | 0.061 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -49.2 | -53.4 | 172.6 | -49 | 0 | 0 | 0 | 0 | 110.7 | Y55 T56 L57 E116 Y127 V131 A136 | T53-Y55 PolarHBondContact O-N 3.08Å; T53-T56 WeakPolarHBondContact O-CA 3.31Å; T53-T56 VanDerWaalsContact O-CB 3.29Å; T53-T56 WeakPolarHBondContact O-CB 3.26Å; T53-T56 PolarHBondContact O-N 3.26Å; T53-L57 PolarHBondContact O-N 3.42Å; T53-L57 VanDerWaalsContact O-N 3.11Å; T53-E116 WeakPolarHBondContact CB-OE1 3.41Å; T53-E116 HydrophobicContact CG2-CG 3.67Å; T53-Y127 PolarHBondContact OG1-OH 3.15Å; T53-V131 HydrophobicContact CG2-CG1 3.76Å; T53-V131 PolarHBondContact OG1-O 3.37Å; T53-A136 HydrophobicContact CG2-CB 3.63Å |
| 54 | F | 83.3 | Confident | 78.4 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -47.6 | -50.6 | 171.9 | -177 | -102 | 0 | 0 | 0 | 115.4 | T52 T56 L57 V58 M113 E116 R117 M272 L275 L276 | T52-F54 PolarHBondContact O-N 3.41Å; F54-T56 PolarHBondContact O-N 3.03Å; F54-L57 PolarHBondContact O-N 3.12Å; F54-V58 HydrophobicContact CD1-CG2 4.14Å; F54-V58 HydrophobicContact CD2-CG2 4.41Å; F54-V58 HydrophobicContact CE1-CG2 3.8Å; F54-V58 HydrophobicContact CE2-CG2 4.09Å; F54-V58 HydrophobicContact CG-CG2 4.44Å; F54-V58 HydrophobicContact CZ-CG2 3.78Å; F54-V58 WeakPolarHBondContact O-CB 3.49Å; F54-V58 WeakPolarHBondContact O-CG2 3.11Å; F54-V58 PolarHBondContact O-N 3.03Å; F54-M113 HydrophobicContact CE2-SD 4.46Å; F54-E116 PolarHBondContact N-OE1 3.38Å; F54-R117 HydrophobicContact CD2-CG 3.88Å; F54-R117 HydrophobicContact CE2-CG 4.08Å; F54-M272 HydrophobicContact CD1-CB 4.05Å; F54-M272 HydrophobicContact CD1-CG 3.92Å; F54-M272 HydrophobicContact CD1-SD 4.08Å; F54-M272 HydrophobicContact CE1-CB 3.81Å; F54-M272 HydrophobicContact CE1-CG 3.95Å; F54-M272 HydrophobicContact CZ-CB 4.2Å; F54-M272 WeakPolarHBondContact CZ-O 3.3Å; F54-L275 HydrophobicContact CE1-CD2 3.92Å; F54-L275 HydrophobicContact CZ-CD2 4.09Å; F54-L275 HydrophobicContact CZ-CG 4.3Å; F54-L276 HydrophobicContact CE2-CB 4.25Å; F54-L276 HydrophobicContact CE2-CD1 4.21Å |
| 55 | Y | 83.4 | Confident | 79.3 | Confident | 38 Ų | 38 | 49 Ų | 49 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.2 | -22.7 | 179 | -76.3 | -54.7 | 0 | 0 | 0 | 113 | L42 T52 T53 C59 M272 | L42-Y55 HydrophobicContact CD2-CD1 3.91Å; L42-Y55 HydrophobicContact CD2-CE1 4.42Å; T52-Y55 HydrophobicContact CG2-CD2 4.47Å; T52-Y55 PolarHBondContact O-N 3.19Å; T52-Y55 WeakPolarHBondContact OG1-CD2 3.15Å; T52-Y55 PolarHBondContact OG1-N 3.35Å; T53-Y55 PolarHBondContact O-N 3.08Å; Y55-C59 VanDerWaalsContact O-CB 3.26Å; Y55-C59 WeakPolarHBondContact O-CB 3.41Å; Y55-C59 PolarHBondContact O-N 2.99Å; Y55-C59 VanDerWaalsContact O-N 3.11Å; Y55-M272 HydrophobicContact CE2-CE 3.88Å |
| 56 | T | 87.6 | Confident | 80.4 | Confident | 21 Ų | 21 | 49.7 Ų | 49.7 | 13% | 0.129 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75.7 | -43.6 | 174.6 | -52.3 | 0 | 0 | 0 | 0 | 110.9 | T52 T53 F54 C59 G60 A136 L140 | T52-T56 PolarHBondContact O-N 2.94Å; T52-T56 PolarHBondContact O-OG1 3.48Å; T53-T56 WeakPolarHBondContact O-CA 3.31Å; T53-T56 VanDerWaalsContact O-CB 3.29Å; T53-T56 WeakPolarHBondContact O-CB 3.26Å; T53-T56 PolarHBondContact O-N 3.26Å; F54-T56 PolarHBondContact O-N 3.03Å; T56-C59 PolarHBondContact O-N 3.38Å; T56-G60 PolarHBondContact O-N 3.22Å; T56-A136 HydrophobicContact CG2-CB 4.48Å; T56-L140 HydrophobicContact CG2-CD1 4.43Å |
| 57 | L | 90.1 | Very high | 81.8 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.6 | -44.3 | 175.1 | -61.5 | 177.4 | 0 | 0 | 0 | 112 | T53 F54 C59 G60 L61 M113 E116 L140 | T53-L57 PolarHBondContact O-N 3.42Å; T53-L57 VanDerWaalsContact O-N 3.11Å; F54-L57 PolarHBondContact O-N 3.12Å; L57-C59 VanDerWaalsContact C-N 3.33Å; L57-C59 PolarHBondContact O-N 3.32Å; L57-G60 CarbonylContact O-C 3.55Å; L57-G60 WeakPolarHBondContact O-CA 3.48Å; L57-G60 PolarHBondContact O-N 2.9Å; L57-L61 PolarHBondContact O-N 3.29Å; L57-M113 HydrophobicContact CB-CG 3.43Å; L57-M113 VanDerWaalsContact CB-CG 3.43Å; L57-M113 HydrophobicContact CB-SD 3.88Å; L57-M113 HydrophobicContact CD1-CB 4.47Å; L57-M113 HydrophobicContact CD1-CG 3.73Å; L57-M113 HydrophobicContact CG-CG 4.21Å; L57-E116 HydrophobicContact CD1-CB 3.99Å; L57-E116 HydrophobicContact CD1-CG 4.02Å; L57-L140 HydrophobicContact CD2-CD1 4.27Å; L57-L140 HydrophobicContact CD2-CD2 3.93Å; L57-L140 HydrophobicContact CD2-CG 3.82Å |
| 58 | V | 89.7 | Confident | 83.4 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 174.1 | 164.1 | 0 | 0 | 0 | 0 | 112 | L42 F54 G60 L61 A62 M113 Y331 | L42-V58 HydrophobicContact CD1-CG1 3.69Å; L42-V58 HydrophobicContact CD2-CG1 3.67Å; L42-V58 HydrophobicContact CG-CG1 4.35Å; F54-V58 HydrophobicContact CD1-CG2 4.14Å; F54-V58 HydrophobicContact CD2-CG2 4.41Å; F54-V58 HydrophobicContact CE1-CG2 3.8Å; F54-V58 HydrophobicContact CE2-CG2 4.09Å; F54-V58 HydrophobicContact CG-CG2 4.44Å; F54-V58 HydrophobicContact CZ-CG2 3.78Å; F54-V58 WeakPolarHBondContact O-CB 3.49Å; F54-V58 WeakPolarHBondContact O-CG2 3.11Å; F54-V58 PolarHBondContact O-N 3.03Å; V58-G60 VanDerWaalsContact C-N 3.32Å; V58-L61 PolarHBondContact O-N 2.94Å; V58-A62 PolarHBondContact O-N 2.97Å; V58-A62 VanDerWaalsContact O-N 3.08Å; V58-M113 HydrophobicContact CB-SD 4.36Å; V58-M113 HydrophobicContact CG2-SD 3.5Å; V58-M113 WeakPolarHBondContact CG2-SD 3.38Å; V58-Y331 HydrophobicContact CB-CE1 4.09Å; V58-Y331 HydrophobicContact CG1-CD1 3.62Å; V58-Y331 HydrophobicContact CG1-CD2 4.5Å; V58-Y331 HydrophobicContact CG1-CE1 3.24Å; V58-Y331 HydrophobicContact CG1-CE2 4.17Å; V58-Y331 HydrophobicContact CG1-CG 4.29Å; V58-Y331 HydrophobicContact CG2-CE1 3.7Å |
| 59 | C | 89.3 | Confident | 85 | Confident | 19 Ų | 19 | 34.3 Ų | 34.3 | 13% | 0.128 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.6 | -32.4 | 174 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | Y55 T56 L57 V63 | Y55-C59 VanDerWaalsContact O-CB 3.26Å; Y55-C59 WeakPolarHBondContact O-CB 3.41Å; Y55-C59 PolarHBondContact O-N 2.99Å; Y55-C59 VanDerWaalsContact O-N 3.11Å; T56-C59 PolarHBondContact O-N 3.38Å; L57-C59 VanDerWaalsContact C-N 3.33Å; L57-C59 PolarHBondContact O-N 3.32Å; C59-V63 VanDerWaalsContact O-CG2 3.31Å; C59-V63 WeakPolarHBondContact O-CG2 3.5Å; C59-V63 PolarHBondContact O-N 2.96Å; C59-V63 VanDerWaalsContact O-N 3.16Å |
| 60 | G | 91.9 | Very high | 86.8 | Confident | 9 Ų | 9 | 32.8 Ų | 32.8 | 9% | 0.093 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T56 L57 V58 V63 T64 | T56-G60 PolarHBondContact O-N 3.22Å; L57-G60 CarbonylContact O-C 3.55Å; L57-G60 WeakPolarHBondContact O-CA 3.48Å; L57-G60 PolarHBondContact O-N 2.9Å; V58-G60 VanDerWaalsContact C-N 3.32Å; G60-V63 PolarHBondContact O-N 3.48Å; G60-T64 PolarHBondContact O-N 3.49Å; G60-T64 PolarHBondContact O-OG1 3.09Å |
| 61 | L | 93.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -51.9 | 175.3 | -171.8 | 68.5 | 0 | 0 | 0 | 111.3 | L57 V58 V63 T64 D65 I109 I110 M113 | L57-L61 PolarHBondContact O-N 3.29Å; V58-L61 PolarHBondContact O-N 2.94Å; L61-V63 PolarHBondContact O-N 3.38Å; L61-V63 VanDerWaalsContact O-N 3.13Å; L61-T64 CarbonylContact O-C 3.58Å; L61-T64 VanDerWaalsContact O-CA 3.3Å; L61-T64 WeakPolarHBondContact O-CA 3.15Å; L61-T64 WeakPolarHBondContact O-CB 3.39Å; L61-T64 PolarHBondContact O-N 2.99Å; L61-D65 PolarHBondContact O-N 3.25Å; L61-I109 HydrophobicContact CB-CG2 3.99Å; L61-I109 HydrophobicContact CD1-CB 4.31Å; L61-I109 HydrophobicContact CD1-CG2 4.26Å; L61-I110 HydrophobicContact CD1-CG1 4.48Å; L61-I110 HydrophobicContact CD2-CD1 3.93Å; L61-I110 HydrophobicContact CD2-CG1 4.2Å; L61-M113 HydrophobicContact CD2-CE 3.96Å |
| 62 | A | 93.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -28 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I39 L42 V58 L66 | I39-A62 HydrophobicContact CD1-CB 4.48Å; I39-A62 HydrophobicContact CG1-CB 3.82Å; L42-A62 HydrophobicContact CD1-CB 4.43Å; V58-A62 PolarHBondContact O-N 2.97Å; V58-A62 VanDerWaalsContact O-N 3.08Å; A62-L66 VanDerWaalsContact O-CB 3.29Å; A62-L66 WeakPolarHBondContact O-CB 3.23Å; A62-L66 PolarHBondContact O-N 3.4Å; A62-L66 VanDerWaalsContact O-N 3.07Å |
| 63 | V | 94.8 | Very high | 91.8 | Very high | 66 Ų | 66 | 23.3 Ų | 23.3 | 40% | 0.4 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -75.1 | -37 | 170.4 | 169.6 | 0 | 0 | 0 | 0 | 111.8 | I39 C59 G60 L61 L67 | I39-V63 HydrophobicContact CD1-CG2 3.76Å; I39-V63 HydrophobicContact CG1-CG2 4.13Å; C59-V63 VanDerWaalsContact O-CG2 3.31Å; C59-V63 WeakPolarHBondContact O-CG2 3.5Å; C59-V63 PolarHBondContact O-N 2.96Å; C59-V63 VanDerWaalsContact O-N 3.16Å; G60-V63 PolarHBondContact O-N 3.48Å; L61-V63 PolarHBondContact O-N 3.38Å; L61-V63 VanDerWaalsContact O-N 3.13Å; V63-L67 WeakPolarHBondContact O-CB 3.42Å; V63-L67 PolarHBondContact O-N 2.9Å |
| 64 | T | 95.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.8 | -50.5 | 172.1 | -50.3 | 0 | 0 | 0 | 0 | 110.2 | G60 L61 L67 G68 F102 I109 Y144 | G60-T64 PolarHBondContact O-N 3.49Å; G60-T64 PolarHBondContact O-OG1 3.09Å; L61-T64 CarbonylContact O-C 3.58Å; L61-T64 VanDerWaalsContact O-CA 3.3Å; L61-T64 WeakPolarHBondContact O-CA 3.15Å; L61-T64 WeakPolarHBondContact O-CB 3.39Å; L61-T64 PolarHBondContact O-N 2.99Å; T64-L67 PolarHBondContact O-N 3.25Å; T64-G68 PolarHBondContact O-N 2.94Å; T64-F102 HydrophobicContact CG2-CD1 3.71Å; T64-F102 HydrophobicContact CG2-CE1 4.17Å; T64-F102 VanDerWaalsContact O-CD1 3.3Å; T64-F102 WeakPolarHBondContact O-CD1 3.45Å; T64-F102 VanDerWaalsContact O-CE1 3.28Å; T64-F102 WeakPolarHBondContact O-CE1 3.45Å; T64-I109 HydrophobicContact CG2-CD1 4.42Å; T64-I109 WeakPolarHBondContact OG1-CD1 3.45Å; T64-Y144 HydrophobicContact CG2-CE1 4.49Å; T64-Y144 PolarHBondContact OG1-OH 2.84Å |
| 65 | D | 94.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 27 Ų | 27 | 5% | 0.053 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | -179.5 | -71 | -41.4 | 0 | 0 | 0 | 112.5 | L61 T69 P324 | L61-D65 PolarHBondContact O-N 3.25Å; D65-T69 VanDerWaalsContact O-CB 3.25Å; D65-T69 WeakPolarHBondContact O-CB 3.37Å; D65-T69 PolarHBondContact O-N 2.94Å; D65-T69 PolarHBondContact O-OG1 3.05Å; D65-P324 HydrophobicContact CB-CB 3.92Å |
| 66 | L | 95.3 | Very high | 93.4 | Very high | 29 Ų | 29 | 27.5 Ų | 27.5 | 15% | 0.152 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 174.7 | -180 | 58.8 | 0 | 0 | 0 | 111.3 | V32 N35 I39 A62 T69 L70 | V32-L66 HydrophobicContact CB-CD1 4.31Å; V32-L66 HydrophobicContact CG1-CD1 4.11Å; V32-L66 HydrophobicContact CG2-CD1 4.25Å; N35-L66 HydrophobicContact CB-CB 3.89Å; N35-L66 HydrophobicContact CB-CD1 4.39Å; I39-L66 HydrophobicContact CD1-CB 4.34Å; I39-L66 HydrophobicContact CD1-CD2 3.7Å; A62-L66 VanDerWaalsContact O-CB 3.29Å; A62-L66 WeakPolarHBondContact O-CB 3.23Å; A62-L66 PolarHBondContact O-N 3.4Å; A62-L66 VanDerWaalsContact O-N 3.07Å; L66-T69 PolarHBondContact O-N 3.43Å; L66-L70 HydrophobicContact CD1-CD1 3.99Å; L66-L70 HydrophobicContact CD1-CG 4.24Å; L66-L70 HydrophobicContact CG-CD1 3.93Å; L66-L70 WeakPolarHBondContact O-CB 3.42Å; L66-L70 VanDerWaalsContact O-CG 3.24Å; L66-L70 WeakPolarHBondContact O-CG 3.45Å; L66-L70 PolarHBondContact O-N 3.45Å |
| 67 | L | 96.1 | Very high | 93.6 | Very high | 80 Ų | 80 | 28 Ų | 28 | 42% | 0.419 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.9 | -42.8 | -179.3 | -172.7 | 64.3 | 0 | 0 | 0 | 111.5 | V63 T64 T69 L70 L71 F102 | V63-L67 WeakPolarHBondContact O-CB 3.42Å; V63-L67 PolarHBondContact O-N 2.9Å; T64-L67 PolarHBondContact O-N 3.25Å; L67-T69 PolarHBondContact O-N 2.95Å; L67-L70 PolarHBondContact O-N 2.83Å; L67-L71 HydrophobicContact CD1-CD1 3.93Å; L67-L71 HydrophobicContact CD1-CG 4.21Å; L67-L71 HydrophobicContact CG-CD1 3.88Å; L67-L71 HydrophobicContact CG-CG 4.44Å; L67-L71 WeakPolarHBondContact O-CB 3.44Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.39Å; L67-L71 PolarHBondContact O-N 2.81Å; L67-F102 HydrophobicContact CB-CE1 3.99Å; L67-F102 HydrophobicContact CB-CZ 4.04Å; L67-F102 HydrophobicContact CD2-CE1 4.19Å; L67-F102 HydrophobicContact CD2-CZ 3.83Å; L67-F102 HydrophobicContact CG-CE1 4.14Å; L67-F102 HydrophobicContact CG-CZ 3.7Å |
| 68 | G | 95.3 | Very high | 93.7 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T64 L71 V72 | T64-G68 PolarHBondContact O-N 2.94Å; G68-L71 PolarHBondContact O-N 2.93Å; G68-V72 WeakPolarHBondContact O-CB 3.36Å; G68-V72 VanDerWaalsContact O-CG2 3.31Å; G68-V72 WeakPolarHBondContact O-CG2 3.3Å; G68-V72 PolarHBondContact O-N 3.43Å |
| 69 | T | 94.8 | Very high | 93.8 | Very high | 10 Ų | 10 | 29.6 Ų | 29.6 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -47.5 | 174.1 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | F28 V32 D65 L66 L67 L71 S73 P324 | F28-T69 HydrophobicContact CD2-CG2 3.91Å; F28-T69 HydrophobicContact CE2-CG2 4.43Å; V32-T69 HydrophobicContact CG2-CG2 3.92Å; D65-T69 VanDerWaalsContact O-CB 3.25Å; D65-T69 WeakPolarHBondContact O-CB 3.37Å; D65-T69 PolarHBondContact O-N 2.94Å; D65-T69 PolarHBondContact O-OG1 3.05Å; L66-T69 PolarHBondContact O-N 3.43Å; L67-T69 PolarHBondContact O-N 2.95Å; T69-L71 VanDerWaalsContact C-N 3.3Å; T69-L71 PolarHBondContact O-N 3.11Å; T69-S73 WeakPolarHBondContact O-CB 3.24Å; T69-S73 PolarHBondContact O-N 3.16Å; T69-S73 VanDerWaalsContact O-N 3.08Å; T69-S73 PolarHBondContact O-OG 3.35Å; T69-P324 WeakPolarHBondContact OG1-CB 3.34Å |
| 70 | L | 95.9 | Very high | 93.8 | Very high | 74 Ų | 74 | 32.8 Ų | 32.8 | 39% | 0.387 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.3 | -29.6 | 179.5 | -73.8 | 167.9 | 0 | 0 | 0 | 113.8 | F28 V32 L66 L67 P74 | F28-L70 HydrophobicContact CE2-CD2 4.08Å; F28-L70 HydrophobicContact CZ-CD2 4.19Å; V32-L70 HydrophobicContact CG2-CD2 4.01Å; V32-L70 HydrophobicContact CG2-CG 4.41Å; L66-L70 HydrophobicContact CD1-CD1 3.99Å; L66-L70 HydrophobicContact CD1-CG 4.24Å; L66-L70 HydrophobicContact CG-CD1 3.93Å; L66-L70 WeakPolarHBondContact O-CB 3.42Å; L66-L70 VanDerWaalsContact O-CG 3.24Å; L66-L70 WeakPolarHBondContact O-CG 3.45Å; L66-L70 PolarHBondContact O-N 3.45Å; L67-L70 PolarHBondContact O-N 2.83Å; L70-P74 WeakPolarHBondContact O-CD 3.47Å; L70-P74 WeakPolarHBondContact O-CG 3.49Å |
| 71 | L | 95.8 | Very high | 93.6 | Very high | 55 Ų | 55 | 38.9 Ų | 38.9 | 29% | 0.288 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -94.8 | -31.3 | -176.7 | -64.6 | 178.8 | 0 | 0 | 0 | 113.8 | L67 G68 T69 I98 F102 | L67-L71 HydrophobicContact CD1-CD1 3.93Å; L67-L71 HydrophobicContact CD1-CG 4.21Å; L67-L71 HydrophobicContact CG-CD1 3.88Å; L67-L71 HydrophobicContact CG-CG 4.44Å; L67-L71 WeakPolarHBondContact O-CB 3.44Å; L67-L71 VanDerWaalsContact O-CG 3.28Å; L67-L71 WeakPolarHBondContact O-CG 3.39Å; L67-L71 PolarHBondContact O-N 2.81Å; G68-L71 PolarHBondContact O-N 2.93Å; T69-L71 VanDerWaalsContact C-N 3.3Å; T69-L71 PolarHBondContact O-N 3.11Å; L71-I98 HydrophobicContact CB-CD1 4.42Å; L71-I98 HydrophobicContact CB-CG2 4.18Å; L71-I98 HydrophobicContact CD1-CD1 3.9Å; L71-F102 HydrophobicContact CD1-CE2 4.01Å; L71-F102 HydrophobicContact CD1-CZ 4.13Å |
| 72 | V | 93.8 | Very high | 93.3 | Very high | 34 Ų | 34 | 45 Ų | 45 | 21% | 0.206 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -83.7 | -45.4 | 178.2 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | G68 V75 T76 I98 L99 | G68-V72 WeakPolarHBondContact O-CB 3.36Å; G68-V72 VanDerWaalsContact O-CG2 3.31Å; G68-V72 WeakPolarHBondContact O-CG2 3.3Å; G68-V72 PolarHBondContact O-N 3.43Å; V72-V75 PolarHBondContact O-N 3Å; V72-T76 PolarHBondContact O-N 2.87Å; V72-T76 VanDerWaalsContact O-N 3.16Å; V72-T76 PolarHBondContact O-OG1 3.19Å; V72-I98 HydrophobicContact CG2-CG2 3.47Å; V72-I98 VanDerWaalsContact CG2-CG2 3.47Å; V72-L99 HydrophobicContact CG1-CD2 4.08Å; V72-L99 HydrophobicContact CG2-CD2 4Å |
| 73 | S | 93.5 | Very high | 93 | Very high | 20 Ų | 20 | 48 Ų | 48 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -38 | -170.8 | -63 | 0 | 0 | 0 | 0 | 115.1 | T69 V75 T76 I77 | T69-S73 WeakPolarHBondContact O-CB 3.24Å; T69-S73 PolarHBondContact O-N 3.16Å; T69-S73 VanDerWaalsContact O-N 3.08Å; T69-S73 PolarHBondContact O-OG 3.35Å; S73-V75 VanDerWaalsContact C-N 3.33Å; S73-V75 PolarHBondContact O-N 3.13Å; S73-T76 PolarHBondContact O-N 3.43Å; S73-I77 WeakPolarHBondContact O-CB 3.29Å; S73-I77 VanDerWaalsContact O-CG1 3.26Å; S73-I77 WeakPolarHBondContact O-CG1 3.46Å; S73-I77 PolarHBondContact O-N 3.36Å |
| 74 | P | 93.6 | Very high | 92.7 | Very high | 68 Ų | 68 | 51 Ų | 51 | 44% | 0.442 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 177.7 | -25.2 | 35.8 | 0 | 0 | 0 | 113.1 | L70 A78 | L70-P74 WeakPolarHBondContact O-CD 3.47Å; L70-P74 WeakPolarHBondContact O-CG 3.49Å; P74-A78 WeakPolarHBondContact O-CB 3.31Å; P74-A78 PolarHBondContact O-N 3.11Å |
| 75 | V | 93.6 | Very high | 92.6 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 176.2 | -173.9 | 0 | 0 | 0 | 0 | 110 | V72 S73 A78 T79 W85 L91 Y94 | V72-V75 PolarHBondContact O-N 3Å; S73-V75 VanDerWaalsContact C-N 3.33Å; S73-V75 PolarHBondContact O-N 3.13Å; V75-A78 PolarHBondContact O-N 3.21Å; V75-T79 PolarHBondContact O-N 3.19Å; V75-T79 PolarHBondContact O-OG1 3.32Å; V75-W85 HydrophobicContact CG1-CH2 3.62Å; V75-W85 HydrophobicContact CG1-CZ2 4.43Å; V75-W85 HydrophobicContact CG1-CZ3 3.88Å; V75-L91 HydrophobicContact CG1-CD1 4.44Å; V75-L91 HydrophobicContact CG1-CD2 4.27Å; V75-L91 HydrophobicContact CG1-CG 4.35Å; V75-L91 HydrophobicContact CG2-CD1 4.16Å; V75-Y94 HydrophobicContact CG2-CE1 4.18Å |
| 76 | T | 92.4 | Very high | 92.5 | Very high | 49 Ų | 49 | 53.1 Ų | 53.1 | 30% | 0.301 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.2 | -50.6 | 176.2 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | P24 V72 S73 A78 T79 Y80 | P24-T76 HydrophobicContact CB-CG2 4.14Å; V72-T76 PolarHBondContact O-N 2.87Å; V72-T76 VanDerWaalsContact O-N 3.16Å; V72-T76 PolarHBondContact O-OG1 3.19Å; S73-T76 PolarHBondContact O-N 3.43Å; T76-A78 VanDerWaalsContact C-N 3.3Å; T76-A78 PolarHBondContact O-N 2.97Å; T76-T79 WeakPolarHBondContact O-CB 3.24Å; T76-T79 PolarHBondContact O-N 3.36Å; T76-T79 VanDerWaalsContact O-N 3.16Å; T76-Y80 HydrophobicContact CG2-CD2 3.85Å; T76-Y80 HydrophobicContact CG2-CE2 3.8Å; T76-Y80 WeakPolarHBondContact O-CD2 3.26Å; T76-Y80 PolarHBondContact O-N 3.01Å |
| 77 | I | 92.3 | Very high | 92.3 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 16% | 0.159 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 179.5 | -68.9 | 165 | 0 | 0 | 0 | 110.4 | V21 P24 F28 S73 T79 Y80 M81 | V21-I77 HydrophobicContact CG1-CG2 4.25Å; P24-I77 HydrophobicContact CB-CG1 4.04Å; P24-I77 HydrophobicContact CG-CG1 4.4Å; F28-I77 HydrophobicContact CB-CD1 4.19Å; F28-I77 HydrophobicContact CD1-CD1 4.38Å; F28-I77 HydrophobicContact CG-CD1 4.33Å; S73-I77 WeakPolarHBondContact O-CB 3.29Å; S73-I77 VanDerWaalsContact O-CG1 3.26Å; S73-I77 WeakPolarHBondContact O-CG1 3.46Å; S73-I77 PolarHBondContact O-N 3.36Å; I77-T79 PolarHBondContact O-N 3.02Å; I77-Y80 PolarHBondContact O-N 2.91Å; I77-M81 HydrophobicContact CG2-CG 4.33Å; I77-M81 HydrophobicContact CG2-SD 3.99Å; I77-M81 WeakPolarHBondContact O-CB 3.39Å; I77-M81 WeakPolarHBondContact O-CG 3.28Å; I77-M81 PolarHBondContact O-N 3.2Å |
| 78 | A | 92.3 | Very high | 92.1 | Very high | 33 Ų | 33 | 52 Ų | 52 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.5 | -38.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P74 V75 T76 M81 K82 P86 | P74-A78 WeakPolarHBondContact O-CB 3.31Å; P74-A78 PolarHBondContact O-N 3.11Å; V75-A78 PolarHBondContact O-N 3.21Å; T76-A78 VanDerWaalsContact C-N 3.3Å; T76-A78 PolarHBondContact O-N 2.97Å; A78-M81 PolarHBondContact O-N 3.39Å; A78-K82 PolarHBondContact O-N 2.94Å; A78-K82 VanDerWaalsContact O-N 3.09Å; A78-P86 HydrophobicContact CB-CB 4.04Å; A78-P86 HydrophobicContact CB-CG 3.9Å |
| 79 | T | 91.5 | Very high | 91.9 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.043 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.7 | -51.4 | 170.4 | -56 | 0 | 0 | 0 | 0 | 110.8 | V75 T76 I77 M81 K82 G83 P86 T168 | V75-T79 PolarHBondContact O-N 3.19Å; V75-T79 PolarHBondContact O-OG1 3.32Å; T76-T79 WeakPolarHBondContact O-CB 3.24Å; T76-T79 PolarHBondContact O-N 3.36Å; T76-T79 VanDerWaalsContact O-N 3.16Å; I77-T79 PolarHBondContact O-N 3.02Å; T79-M81 PolarHBondContact O-N 3.09Å; T79-K82 PolarHBondContact O-N 2.93Å; T79-K82 VanDerWaalsContact O-N 3.16Å; T79-G83 PolarHBondContact O-N 3.16Å; T79-P86 WeakPolarHBondContact OG1-CD 3.41Å; T79-T168 HydrophobicContact CG2-CG2 3.76Å; T79-T168 VanDerWaalsContact CG2-O 3.24Å; T79-T168 WeakPolarHBondContact CG2-O 3.39Å; T79-T168 PolarHBondContact OG1-O 3.36Å |
| 80 | Y | 89.4 | Confident | 91.8 | Very high | 87 Ų | 87 | 60.1 Ų | 60.1 | 34% | 0.341 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.6 | -26.6 | -178.1 | -85.2 | -97.6 | 0 | 0 | 0 | 112.9 | P20 V21 P24 T76 I77 | P20-Y80 HydrophobicContact CB-CD1 4.24Å; P20-Y80 WeakPolarHBondContact O-CD1 3.46Å; V21-Y80 WeakPolarHBondContact CG2-O 3.42Å; P24-Y80 HydrophobicContact CG-CD1 4.27Å; P24-Y80 HydrophobicContact CG-CD2 4.02Å; P24-Y80 HydrophobicContact CG-CE2 4.47Å; P24-Y80 HydrophobicContact CG-CG 3.9Å; T76-Y80 HydrophobicContact CG2-CD2 3.85Å; T76-Y80 HydrophobicContact CG2-CE2 3.8Å; T76-Y80 WeakPolarHBondContact O-CD2 3.26Å; T76-Y80 PolarHBondContact O-N 3.01Å; I77-Y80 PolarHBondContact O-N 2.91Å |
| 81 | M | 89 | Confident | 91.7 | Very high | 137 Ų | 137 | 59 Ų | 59 | 68% | 0.675 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -76 | -35.8 | 172.8 | -74.3 | 179.5 | 70.3 | 0 | 0 | 113.5 | V21 I77 A78 T79 | V21-M81 HydrophobicContact CG1-CG 3.91Å; V21-M81 HydrophobicContact CG2-CG 3.86Å; I77-M81 HydrophobicContact CG2-CG 4.33Å; I77-M81 HydrophobicContact CG2-SD 3.99Å; I77-M81 WeakPolarHBondContact O-CB 3.39Å; I77-M81 WeakPolarHBondContact O-CG 3.28Å; I77-M81 PolarHBondContact O-N 3.2Å; A78-M81 PolarHBondContact O-N 3.39Å; T79-M81 PolarHBondContact O-N 3.09Å |
| 82 | K | 87 | Confident | 91.6 | Very high | 129 Ų | 129 | 56.6 Ų | 56.6 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -88.9 | -16.6 | 178.5 | -67.4 | -167.4 | -169.4 | 179.9 | 0 | 114.1 | A78 T79 Q84 P86 | A78-K82 PolarHBondContact O-N 2.94Å; A78-K82 VanDerWaalsContact O-N 3.09Å; T79-K82 PolarHBondContact O-N 2.93Å; T79-K82 VanDerWaalsContact O-N 3.16Å; K82-Q84 HydrophobicContact CB-CG 4.25Å; K82-Q84 PolarHBondContact O-N 3.25Å; K82-P86 HydrophobicContact CD-CB 3.78Å; K82-P86 PolarHBondContact NZ-O 3.11Å |
| 83 | G | 86.1 | Confident | 91.6 | Very high | 63 Ų | 63 | 58.3 Ų | 58.3 | 65% | 0.649 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 74.9 | -2.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115 | T79 | T79-G83 PolarHBondContact O-N 3.16Š|
| 84 | Q | 89.4 | Confident | 91.6 | Very high | 129 Ų | 129 | 61.6 Ų | 61.6 | 60% | 0.603 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -149.8 | 165.8 | -176 | 63.7 | 177.9 | 51.7 | 0 | 0 | 110.1 | K82 | K82-Q84 HydrophobicContact CB-CG 4.25Å; K82-Q84 PolarHBondContact O-N 3.25Å |
| 85 | W | 93.4 | Very high | 91.6 | Very high | 32 Ų | 32 | 59 Ų | 59 | 12% | 0.121 | 33% | 0.333 | C | S | . | . | trans | -52.8 | 127.6 | 175.6 | -170.7 | -117.5 | 0 | 0 | 0 | 112.5 | V75 G87 L91 C92 S95 L163 D167 C170 | V75-W85 HydrophobicContact CG1-CH2 3.62Å; V75-W85 HydrophobicContact CG1-CZ2 4.43Å; V75-W85 HydrophobicContact CG1-CZ3 3.88Å; W85-G87 PolarHBondContact NE1-O 3.27Å; W85-L91 HydrophobicContact CH2-CG 4.44Å; W85-L91 HydrophobicContact CZ2-CB 4.2Å; W85-L91 HydrophobicContact CZ2-CD2 4.01Å; W85-L91 HydrophobicContact CZ2-CG 3.79Å; W85-C92 HydrophobicContact CZ2-CB 4.41Å; W85-S95 WeakPolarHBondContact CH2-OG 3.43Å; W85-L163 HydrophobicContact CB-CD1 3.76Å; W85-L163 HydrophobicContact CB-CD2 4.16Å; W85-L163 HydrophobicContact CD2-CD1 3.64Å; W85-L163 HydrophobicContact CE3-CD1 4.02Å; W85-L163 HydrophobicContact CG-CD1 3.52Å; W85-L163 HydrophobicContact CG-CD2 4.48Å; W85-D167 WeakPolarHBondContact CB-O 3.44Å; W85-D167 PolarHBondContact N-O 3.2Å; W85-D167 VanDerWaalsContact N-O 3.13Å; W85-C170 HydrophobicContact CH2-CB 4.16Å; W85-C170 HydrophobicContact CZ2-CB 4.22Å | ||
| 86 | P | 91.6 | Very high | 91.7 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | trans | -89.6 | -4.2 | -163.7 | 33.7 | -37.5 | 0 | 0 | 0 | 115.7 | A78 T79 K82 L91 | A78-P86 HydrophobicContact CB-CB 4.04Å; A78-P86 HydrophobicContact CB-CG 3.9Å; T79-P86 WeakPolarHBondContact OG1-CD 3.41Å; K82-P86 HydrophobicContact CD-CB 3.78Å; K82-P86 PolarHBondContact NZ-O 3.11Å; P86-L91 HydrophobicContact CG-CD2 4.09Å | ||
| 87 | G | 90.9 | Very high | 91.8 | Very high | 38 Ų | 38 | 58 Ų | 58 | 39% | 0.392 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -148.7 | -166.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | W85 | W85-G87 PolarHBondContact NE1-O 3.27Š|
| 88 | G | 91.7 | Very high | 92 | Very high | 47 Ų | 47 | 57 Ų | 57 | 49% | 0.485 | 32% | 0.318 | S | S | . | . | trans | -97.6 | -167.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L91 C92 | G88-L91 WeakPolarHBondContact O-CB 3.49Å; G88-L91 PolarHBondContact O-N 2.96Å; G88-L91 VanDerWaalsContact O-N 3.09Å; G88-C92 PolarHBondContact O-N 3.13Å | ||
| 89 | Q | 91.2 | Very high | 92.1 | Very high | 88 Ų | 88 | 57.3 Ų | 57.3 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -53.2 | -41.6 | 179.4 | -176.9 | 65.2 | 13.4 | 0 | 0 | 114.4 | L91 C92 E93 S161 | Q89-L91 PolarHBondContact O-N 3.11Å; Q89-C92 WeakPolarHBondContact O-CA 3.37Å; Q89-C92 WeakPolarHBondContact O-CB 3.21Å; Q89-C92 PolarHBondContact O-N 3.36Å; Q89-E93 VanDerWaalsContact CG-OE1 3.25Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.23Å; Q89-E93 PolarHBondContact NE2-OE1 3.47Å; Q89-E93 PolarHBondContact O-N 3.38Å; Q89-S161 PolarHBondContact NE2-O 2.97Å |
| 90 | P | 92.6 | Very high | 92.3 | Very high | 100 Ų | 100 | 57 Ų | 57 | 65% | 0.649 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62.3 | -29.9 | 177.9 | -25.2 | 36 | 0 | 0 | 0 | 113.8 | C92 Y94 | P90-C92 VanDerWaalsContact C-N 3.33Å; P90-Y94 VanDerWaalsContact O-CB 3.27Å; P90-Y94 WeakPolarHBondContact O-CB 3.28Å; P90-Y94 PolarHBondContact O-N 3.34Å |
| 91 | L | 94.1 | Very high | 92.6 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73.1 | -30.4 | 173.4 | -171.8 | 66.7 | 0 | 0 | 0 | 111.2 | V75 W85 P86 G88 Q89 Y94 S95 | V75-L91 HydrophobicContact CG1-CD1 4.44Å; V75-L91 HydrophobicContact CG1-CD2 4.27Å; V75-L91 HydrophobicContact CG1-CG 4.35Å; V75-L91 HydrophobicContact CG2-CD1 4.16Å; W85-L91 HydrophobicContact CH2-CG 4.44Å; W85-L91 HydrophobicContact CZ2-CB 4.2Å; W85-L91 HydrophobicContact CZ2-CD2 4.01Å; W85-L91 HydrophobicContact CZ2-CG 3.79Å; P86-L91 HydrophobicContact CG-CD2 4.09Å; G88-L91 WeakPolarHBondContact O-CB 3.49Å; G88-L91 PolarHBondContact O-N 2.96Å; G88-L91 VanDerWaalsContact O-N 3.09Å; Q89-L91 PolarHBondContact O-N 3.11Å; L91-Y94 HydrophobicContact CD1-CD1 4.12Å; L91-S95 VanDerWaalsContact O-CB 3.27Å; L91-S95 WeakPolarHBondContact O-CB 3.32Å; L91-S95 PolarHBondContact O-N 3.01Å; L91-S95 PolarHBondContact O-OG 3.43Å |
| 92 | C | 94.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.7 | -44.5 | 177 | -162.8 | 0 | 0 | 0 | 0 | 111.3 | W85 G88 Q89 P90 S95 T96 R162 C170 | W85-C92 HydrophobicContact CZ2-CB 4.41Å; G88-C92 PolarHBondContact O-N 3.13Å; Q89-C92 WeakPolarHBondContact O-CA 3.37Å; Q89-C92 WeakPolarHBondContact O-CB 3.21Å; Q89-C92 PolarHBondContact O-N 3.36Å; P90-C92 VanDerWaalsContact C-N 3.33Å; C92-S95 PolarHBondContact O-N 3.35Å; C92-T96 WeakPolarHBondContact O-CB 3.23Å; C92-T96 PolarHBondContact O-N 2.99Å; C92-T96 PolarHBondContact O-OG1 2.85Å; C92-R162 VanDerWaalsContact SG-C 3.58Å; C92-C170 WeakPolarHBondContact CA-SG 3.28Å; C92-C170 HydrophobicContact CB-CB 3.88Å; C92-C170 WeakPolarHBondContact CB-SG 3.17Å; C92-C170 WeakPolarHBondContact SG-CB 3.36Å; C92-C170 CovalentContact SG-SG 2.03Å; C92-C170 PolarHBondContact SG-SG 2.91Å |
| 93 | E | 93.6 | Very high | 93.3 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 33% | 0.327 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.6 | -45.5 | 175 | -72.2 | 159.8 | -171.7 | 0 | 0 | 111.8 | Q89 S95 T96 F97 | Q89-E93 VanDerWaalsContact CG-OE1 3.25Å; Q89-E93 WeakPolarHBondContact CG-OE1 3.23Å; Q89-E93 PolarHBondContact NE2-OE1 3.47Å; Q89-E93 PolarHBondContact O-N 3.38Å; E93-S95 PolarHBondContact O-N 2.97Å; E93-T96 PolarHBondContact O-N 3.37Å; E93-F97 WeakPolarHBondContact O-CB 3.29Å; E93-F97 PolarHBondContact O-N 2.9Å |
| 94 | Y | 94.1 | Very high | 93.8 | Very high | 90 Ų | 90 | 40.6 Ų | 40.6 | 35% | 0.353 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -54.5 | -50.8 | 171.1 | 167.8 | -96.3 | 0 | 0 | 0 | 111.9 | V75 P90 L91 T96 F97 I98 | V75-Y94 HydrophobicContact CG2-CE1 4.18Å; P90-Y94 VanDerWaalsContact O-CB 3.27Å; P90-Y94 WeakPolarHBondContact O-CB 3.28Å; P90-Y94 PolarHBondContact O-N 3.34Å; L91-Y94 HydrophobicContact CD1-CD1 4.12Å; Y94-T96 VanDerWaalsContact C-N 3.34Å; Y94-T96 PolarHBondContact O-N 3.11Å; Y94-F97 PolarHBondContact O-N 2.95Å; Y94-I98 HydrophobicContact CD1-CG1 4.45Å; Y94-I98 HydrophobicContact CD2-CG1 4.05Å; Y94-I98 HydrophobicContact CE1-CG1 4.12Å; Y94-I98 HydrophobicContact CE2-CD1 3.98Å; Y94-I98 HydrophobicContact CE2-CG1 3.69Å; Y94-I98 HydrophobicContact CG-CG1 4.42Å; Y94-I98 WeakPolarHBondContact O-CB 3.02Å; Y94-I98 WeakPolarHBondContact O-CG1 3.32Å; Y94-I98 PolarHBondContact O-N 2.88Å |
| 95 | S | 94.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.5 | -37.7 | -177.1 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | W85 L91 C92 E93 I98 L99 | W85-S95 WeakPolarHBondContact CH2-OG 3.43Å; L91-S95 VanDerWaalsContact O-CB 3.27Å; L91-S95 WeakPolarHBondContact O-CB 3.32Å; L91-S95 PolarHBondContact O-N 3.01Å; L91-S95 PolarHBondContact O-OG 3.43Å; C92-S95 PolarHBondContact O-N 3.35Å; E93-S95 PolarHBondContact O-N 2.97Å; S95-I98 PolarHBondContact O-N 3.37Å; S95-L99 WeakPolarHBondContact O-CB 3.41Å; S95-L99 VanDerWaalsContact O-CG 3.25Å; S95-L99 WeakPolarHBondContact O-CG 3.45Å; S95-L99 PolarHBondContact O-N 3.41Å |
| 96 | T | 94.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -49 | 174.8 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | C92 E93 Y94 I98 L99 L100 S161 F171 I172 | C92-T96 WeakPolarHBondContact O-CB 3.23Å; C92-T96 PolarHBondContact O-N 2.99Å; C92-T96 PolarHBondContact O-OG1 2.85Å; E93-T96 PolarHBondContact O-N 3.37Å; Y94-T96 VanDerWaalsContact C-N 3.34Å; Y94-T96 PolarHBondContact O-N 3.11Å; T96-I98 PolarHBondContact O-N 3.42Å; T96-L99 PolarHBondContact O-N 3.47Å; T96-L100 HydrophobicContact CG2-CD1 3.89Å; T96-L100 HydrophobicContact CG2-CG 4.37Å; T96-L100 WeakPolarHBondContact O-CB 3.28Å; T96-L100 WeakPolarHBondContact O-CG 3.3Å; T96-L100 PolarHBondContact O-N 3.17Å; T96-S161 WeakPolarHBondContact CB-OG 3.24Å; T96-S161 PolarHBondContact OG1-OG 3.49Å; T96-F171 WeakPolarHBondContact OG1-CA 3.17Å; T96-F171 PolarHBondContact OG1-N 3.25Å; T96-I172 HydrophobicContact CG2-CG2 3.7Å |
| 97 | F | 95.6 | Very high | 94.4 | Very high | 45 Ų | 45 | 32.4 Ų | 32.4 | 20% | 0.197 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.3 | -49.7 | 174.8 | 172.3 | -91.3 | 0 | 0 | 0 | 111.8 | E93 Y94 L100 F101 C151 A152 | E93-F97 WeakPolarHBondContact O-CB 3.29Å; E93-F97 PolarHBondContact O-N 2.9Å; Y94-F97 PolarHBondContact O-N 2.95Å; F97-L100 PolarHBondContact O-N 2.82Å; F97-F101 HydrophobicContact CE1-CB 4.45Å; F97-F101 WeakPolarHBondContact O-CB 3.13Å; F97-F101 PolarHBondContact O-N 2.79Å; F97-C151 HydrophobicContact CD2-CB 4.18Å; F97-C151 VanDerWaalsContact CD2-O 3.28Å; F97-C151 WeakPolarHBondContact CD2-O 3.48Å; F97-C151 HydrophobicContact CE2-CB 4.1Å; F97-A152 HydrophobicContact CE2-CB 4.29Å |
| 98 | I | 95.7 | Very high | 94.7 | Very high | 11 Ų | 11 | 31 Ų | 31 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62 | -48 | -179.2 | -69.6 | -67.4 | 0 | 0 | 0 | 111 | L71 V72 Y94 S95 T96 F101 F102 | L71-I98 HydrophobicContact CB-CD1 4.42Å; L71-I98 HydrophobicContact CB-CG2 4.18Å; L71-I98 HydrophobicContact CD1-CD1 3.9Å; V72-I98 HydrophobicContact CG2-CG2 3.47Å; V72-I98 VanDerWaalsContact CG2-CG2 3.47Å; Y94-I98 HydrophobicContact CD1-CG1 4.45Å; Y94-I98 HydrophobicContact CD2-CG1 4.05Å; Y94-I98 HydrophobicContact CE1-CG1 4.12Å; Y94-I98 HydrophobicContact CE2-CD1 3.98Å; Y94-I98 HydrophobicContact CE2-CG1 3.69Å; Y94-I98 HydrophobicContact CG-CG1 4.42Å; Y94-I98 WeakPolarHBondContact O-CB 3.02Å; Y94-I98 WeakPolarHBondContact O-CG1 3.32Å; Y94-I98 PolarHBondContact O-N 2.88Å; S95-I98 PolarHBondContact O-N 3.37Å; T96-I98 PolarHBondContact O-N 3.42Å; I98-F101 PolarHBondContact O-N 3.01Å; I98-F102 HydrophobicContact CD1-CE2 4.01Å; I98-F102 HydrophobicContact CG2-CD2 3.73Å; I98-F102 HydrophobicContact CG2-CE2 3.94Å; I98-F102 VanDerWaalsContact O-CD2 3.24Å; I98-F102 WeakPolarHBondContact O-CD2 3.38Å; I98-F102 PolarHBondContact O-N 2.9Å |
| 99 | L | 94.5 | Very high | 94.8 | Very high | 40 Ų | 40 | 28.8 Ų | 28.8 | 21% | 0.209 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 179.6 | -72.5 | 171 | 0 | 0 | 0 | 112.3 | V72 S95 T96 S103 F171 I317 | V72-L99 HydrophobicContact CG1-CD2 4.08Å; V72-L99 HydrophobicContact CG2-CD2 4Å; S95-L99 WeakPolarHBondContact O-CB 3.41Å; S95-L99 VanDerWaalsContact O-CG 3.25Å; S95-L99 WeakPolarHBondContact O-CG 3.45Å; S95-L99 PolarHBondContact O-N 3.41Å; T96-L99 PolarHBondContact O-N 3.47Å; L99-S103 WeakPolarHBondContact O-CB 3.45Å; L99-S103 PolarHBondContact O-N 3.02Å; L99-S103 VanDerWaalsContact O-N 3.12Å; L99-F171 HydrophobicContact CB-CD2 4.33Å; L99-F171 HydrophobicContact CB-CE2 4.13Å; L99-F171 HydrophobicContact CD1-CD2 4.24Å; L99-I317 HydrophobicContact CD1-CD1 4.45Å; L99-I317 HydrophobicContact CD2-CD1 4.39Å |
| 100 | L | 95.3 | Very high | 95 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.7 | -49.3 | 174.6 | -66.2 | 167.4 | 0 | 0 | 0 | 111 | T96 F97 L104 C151 P154 F171 I172 Y184 Y188 | T96-L100 HydrophobicContact CG2-CD1 3.89Å; T96-L100 HydrophobicContact CG2-CG 4.37Å; T96-L100 WeakPolarHBondContact O-CB 3.28Å; T96-L100 WeakPolarHBondContact O-CG 3.3Å; T96-L100 PolarHBondContact O-N 3.17Å; F97-L100 PolarHBondContact O-N 2.82Å; L100-L104 VanDerWaalsContact O-CB 3.23Å; L100-L104 WeakPolarHBondContact O-CB 3.3Å; L100-L104 PolarHBondContact O-N 2.81Å; L100-C151 HydrophobicContact CB-CB 4.17Å; L100-P154 HydrophobicContact CD1-CG 4.23Å; L100-F171 HydrophobicContact CD2-CE2 4.14Å; L100-F171 HydrophobicContact CD2-CZ 4.03Å; L100-F171 HydrophobicContact CG-CE2 4.48Å; L100-I172 HydrophobicContact CD1-CG2 3.86Å; L100-I172 HydrophobicContact CD2-CG2 4.18Å; L100-I172 HydrophobicContact CG-CG2 4.47Å; L100-Y184 HydrophobicContact CD1-CE1 4.35Å; L100-Y188 HydrophobicContact CB-CE2 4.27Å; L100-Y188 HydrophobicContact CD2-CD1 4.14Å; L100-Y188 HydrophobicContact CD2-CD2 3.68Å; L100-Y188 HydrophobicContact CD2-CE1 3.96Å; L100-Y188 HydrophobicContact CD2-CE2 3.47Å; L100-Y188 VanDerWaalsContact CD2-CE2 3.47Å; L100-Y188 HydrophobicContact CD2-CG 4.01Å; L100-Y188 HydrophobicContact CG-CE2 4.48Å |
| 101 | F | 96.4 | Very high | 95.1 | Very high | 20 Ų | 20 | 20.5 Ų | 20.5 | 9% | 0.088 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.4 | -45.7 | -174.7 | 170.8 | -107.1 | 0 | 0 | 0 | 112.8 | F97 I98 S105 Y144 N147 V148 C151 | F97-F101 HydrophobicContact CE1-CB 4.45Å; F97-F101 WeakPolarHBondContact O-CB 3.13Å; F97-F101 PolarHBondContact O-N 2.79Å; I98-F101 PolarHBondContact O-N 3.01Å; F101-S105 WeakPolarHBondContact CE2-OG 3.5Å; F101-S105 WeakPolarHBondContact O-CB 3.4Å; F101-S105 PolarHBondContact O-N 3.46Å; F101-S105 PolarHBondContact O-OG 2.95Å; F101-Y144 HydrophobicContact CE2-CD1 4.15Å; F101-Y144 AromaticContact CZ-CD1 3.65Å; F101-Y144 HydrophobicContact CZ-CD1 3.65Å; F101-Y144 HydrophobicContact CZ-CE1 4.16Å; F101-N147 HydrophobicContact CD2-CB 3.97Å; F101-N147 HydrophobicContact CE2-CB 4.04Å; F101-V148 HydrophobicContact CD2-CG2 4Å; F101-V148 HydrophobicContact CE2-CG2 3.51Å; F101-V148 HydrophobicContact CZ-CG2 4.09Å; F101-C151 HydrophobicContact CB-CB 4.17Å |
| 102 | F | 95.7 | Very high | 95.1 | Very high | 25 Ų | 25 | 19.1 Ų | 19.1 | 11% | 0.11 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -73.3 | -37.9 | 179.4 | -75.2 | -71 | 0 | 0 | 0 | 112.3 | T64 L67 L71 I98 S105 G106 | T64-F102 HydrophobicContact CG2-CD1 3.71Å; T64-F102 HydrophobicContact CG2-CE1 4.17Å; T64-F102 VanDerWaalsContact O-CD1 3.3Å; T64-F102 WeakPolarHBondContact O-CD1 3.45Å; T64-F102 VanDerWaalsContact O-CE1 3.28Å; T64-F102 WeakPolarHBondContact O-CE1 3.45Å; L67-F102 HydrophobicContact CB-CE1 3.99Å; L67-F102 HydrophobicContact CB-CZ 4.04Å; L67-F102 HydrophobicContact CD2-CE1 4.19Å; L67-F102 HydrophobicContact CD2-CZ 3.83Å; L67-F102 HydrophobicContact CG-CE1 4.14Å; L67-F102 HydrophobicContact CG-CZ 3.7Å; L71-F102 HydrophobicContact CD1-CE2 4.01Å; L71-F102 HydrophobicContact CD1-CZ 4.13Å; I98-F102 HydrophobicContact CD1-CE2 4.01Å; I98-F102 HydrophobicContact CG2-CD2 3.73Å; I98-F102 HydrophobicContact CG2-CE2 3.94Å; I98-F102 VanDerWaalsContact O-CD2 3.24Å; I98-F102 WeakPolarHBondContact O-CD2 3.38Å; I98-F102 PolarHBondContact O-N 2.9Å; F102-S105 PolarHBondContact O-N 3.15Å; F102-G106 PolarHBondContact O-N 2.92Å |
| 103 | S | 95 | Very high | 95 | Very high | 26 Ų | 26 | 19 Ų | 19 | 18% | 0.182 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.7 | -48.7 | 173.3 | -177 | 0 | 0 | 0 | 0 | 111.3 | L99 S105 L107 Y188 | L99-S103 WeakPolarHBondContact O-CB 3.45Å; L99-S103 PolarHBondContact O-N 3.02Å; L99-S103 VanDerWaalsContact O-N 3.12Å; S103-S105 PolarHBondContact O-N 3.34Å; S103-L107 WeakPolarHBondContact O-CG 3.47Å; S103-L107 PolarHBondContact O-N 3.32Å; S103-L107 VanDerWaalsContact O-N 3.16Å; S103-Y188 WeakPolarHBondContact CB-OH 3.26Å; S103-Y188 PolarHBondContact OG-OH 2.95Å |
| 104 | L | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71 | -31.3 | -178.9 | -164.2 | 62.9 | 0 | 0 | 0 | 112.7 | L100 S108 N147 F150 Y188 F191 L195 | L100-L104 VanDerWaalsContact O-CB 3.23Å; L100-L104 WeakPolarHBondContact O-CB 3.3Å; L100-L104 PolarHBondContact O-N 2.81Å; L104-S108 WeakPolarHBondContact O-CB 3.17Å; L104-S108 PolarHBondContact O-N 3.46Å; L104-S108 PolarHBondContact O-OG 3.37Å; L104-S108 VanDerWaalsContact O-OG 3.14Å; L104-N147 HydrophobicContact CD2-CB 4.48Å; L104-N147 PolarHBondContact O-ND2 3.14Å; L104-N147 VanDerWaalsContact O-ND2 3.13Å; L104-F150 HydrophobicContact CD2-CD1 3.68Å; L104-F150 HydrophobicContact CD2-CE1 4.27Å; L104-F150 HydrophobicContact CD2-CG 4.34Å; L104-Y188 HydrophobicContact CB-CE2 4.5Å; L104-F191 HydrophobicContact CD1-CD1 3.66Å; L104-F191 HydrophobicContact CD1-CE1 3.88Å; L104-F191 HydrophobicContact CD2-CD1 3.93Å; L104-F191 HydrophobicContact CD2-CE1 3.92Å; L104-F191 HydrophobicContact CG-CD1 4.25Å; L104-F191 HydrophobicContact CG-CE1 4.12Å; L104-L195 HydrophobicContact CD1-CD1 3.68Å |
| 105 | S | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -73.6 | -39.5 | 176.5 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | F101 F102 S103 S108 I109 N147 | F101-S105 WeakPolarHBondContact CE2-OG 3.5Å; F101-S105 WeakPolarHBondContact O-CB 3.4Å; F101-S105 PolarHBondContact O-N 3.46Å; F101-S105 PolarHBondContact O-OG 2.95Å; F102-S105 PolarHBondContact O-N 3.15Å; S103-S105 PolarHBondContact O-N 3.34Å; S105-S108 PolarHBondContact O-N 2.92Å; S105-I109 WeakPolarHBondContact O-CB 3.4Å; S105-I109 WeakPolarHBondContact O-CD1 3.49Å; S105-I109 WeakPolarHBondContact O-CG1 3.4Å; S105-I109 PolarHBondContact O-N 3.43Å; S105-N147 WeakPolarHBondContact CA-ND2 3.31Å; S105-N147 PolarHBondContact N-ND2 3.47Å; S105-N147 VanDerWaalsContact N-ND2 3.18Å; S105-N147 PolarHBondContact OG-ND2 3.06Å |
| 106 | G | 95.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 14 Ų | 14 | 9% | 0.093 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -56.8 | -50.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F102 I109 I110 | F102-G106 PolarHBondContact O-N 2.92Å; G106-I109 PolarHBondContact O-N 2.9Å; G106-I110 WeakPolarHBondContact O-CB 3.46Å; G106-I110 VanDerWaalsContact O-CG1 3.24Å; G106-I110 WeakPolarHBondContact O-CG1 3.2Å; G106-I110 PolarHBondContact O-N 3.01Å |
| 107 | L | 95.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 177.4 | -70.7 | 177.1 | 0 | 0 | 0 | 113 | S103 I110 C111 L195 I196 V283 | S103-L107 WeakPolarHBondContact O-CG 3.47Å; S103-L107 PolarHBondContact O-N 3.32Å; S103-L107 VanDerWaalsContact O-N 3.16Å; L107-I110 PolarHBondContact O-N 2.86Å; L107-C111 WeakPolarHBondContact O-CB 3.34Å; L107-C111 PolarHBondContact O-N 2.89Å; L107-L195 HydrophobicContact CB-CB 4.19Å; L107-L195 HydrophobicContact CB-CD1 3.97Å; L107-I196 HydrophobicContact CD1-CD1 4.42Å; L107-I196 HydrophobicContact CD1-CG1 4.44Å; L107-I196 HydrophobicContact CD2-CD1 4.37Å; L107-I196 HydrophobicContact CD2-CG1 3.83Å; L107-V283 HydrophobicContact CD2-CG1 3.89Å |
| 108 | S | 96.6 | Very high | 94 | Very high | 8 Ų | 8 | 15.3 Ų | 15.3 | 6% | 0.056 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 179.2 | -71.8 | 0 | 0 | 0 | 0 | 112.9 | L104 S105 C111 A112 L195 | L104-S108 WeakPolarHBondContact O-CB 3.17Å; L104-S108 PolarHBondContact O-N 3.46Å; L104-S108 PolarHBondContact O-OG 3.37Å; L104-S108 VanDerWaalsContact O-OG 3.14Å; S105-S108 PolarHBondContact O-N 2.92Å; S108-C111 PolarHBondContact O-N 2.84Å; S108-A112 WeakPolarHBondContact O-CB 3.47Å; S108-A112 PolarHBondContact O-N 2.96Å; S108-L195 WeakPolarHBondContact OG-CD1 3.35Å |
| 109 | I | 95.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -70.1 | -41 | 178 | -65.1 | 168 | 0 | 0 | 0 | 110.8 | L61 T64 S105 G106 A112 M113 L140 V143 | L61-I109 HydrophobicContact CB-CG2 3.99Å; L61-I109 HydrophobicContact CD1-CB 4.31Å; L61-I109 HydrophobicContact CD1-CG2 4.26Å; T64-I109 HydrophobicContact CG2-CD1 4.42Å; T64-I109 WeakPolarHBondContact OG1-CD1 3.45Å; S105-I109 WeakPolarHBondContact O-CB 3.4Å; S105-I109 WeakPolarHBondContact O-CD1 3.49Å; S105-I109 WeakPolarHBondContact O-CG1 3.4Å; S105-I109 PolarHBondContact O-N 3.43Å; G106-I109 PolarHBondContact O-N 2.9Å; I109-A112 PolarHBondContact O-N 2.84Å; I109-M113 HydrophobicContact CG2-CE 4.34Å; I109-M113 WeakPolarHBondContact O-CG 3.24Å; I109-M113 PolarHBondContact O-N 3.43Å; I109-L140 HydrophobicContact CD1-CD2 4.08Å; I109-L140 HydrophobicContact CG1-CD2 3.94Å; I109-L140 HydrophobicContact CG2-CD2 4.2Å; I109-V143 HydrophobicContact CG1-CG1 4.08Å |
| 110 | I | 93.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.6 | -46 | 173.9 | -73.8 | -87.6 | 0 | 0 | 0 | 110.9 | L61 G106 L107 A112 M113 S114 T199 V283 | L61-I110 HydrophobicContact CD1-CG1 4.48Å; L61-I110 HydrophobicContact CD2-CD1 3.93Å; L61-I110 HydrophobicContact CD2-CG1 4.2Å; G106-I110 WeakPolarHBondContact O-CB 3.46Å; G106-I110 VanDerWaalsContact O-CG1 3.24Å; G106-I110 WeakPolarHBondContact O-CG1 3.2Å; G106-I110 PolarHBondContact O-N 3.01Å; L107-I110 PolarHBondContact O-N 2.86Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 2.97Å; I110-M113 HydrophobicContact CD1-CE 3.63Å; I110-M113 HydrophobicContact CG1-CE 4.07Å; I110-M113 PolarHBondContact O-N 3.48Å; I110-S114 PolarHBondContact O-N 3.43Å; I110-S114 PolarHBondContact O-OG 3.07Å; I110-T199 HydrophobicContact CG2-CG2 3.61Å; I110-V283 HydrophobicContact CD1-CB 4.4Å; I110-V283 HydrophobicContact CD1-CG2 3.84Å; I110-V283 HydrophobicContact CG1-CB 4.4Å; I110-V283 HydrophobicContact CG1-CG1 4.21Å; I110-V283 HydrophobicContact CG1-CG2 3.99Å |
| 111 | C | 95.7 | Very high | 92.6 | Very high | 14 Ų | 14 | 17.3 Ų | 17.3 | 10% | 0.095 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.7 | -43.7 | 175.3 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | L107 S108 M113 S114 V115 L195 T199 | L107-C111 WeakPolarHBondContact O-CB 3.34Å; L107-C111 PolarHBondContact O-N 2.89Å; S108-C111 PolarHBondContact O-N 2.84Å; C111-M113 VanDerWaalsContact C-N 3.35Å; C111-M113 PolarHBondContact O-N 3.37Å; C111-S114 PolarHBondContact O-N 2.92Å; C111-V115 WeakPolarHBondContact O-CG2 3.34Å; C111-V115 PolarHBondContact O-N 3.31Å; C111-L195 HydrophobicContact CB-CD2 4.07Å; C111-T199 WeakPolarHBondContact CA-OG1 3.43Å; C111-T199 WeakPolarHBondContact CB-OG1 3.4Å |
| 112 | A | 94.1 | Very high | 92 | Very high | 21 Ų | 21 | 19.2 Ų | 19.2 | 17% | 0.174 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.8 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S108 I109 I110 V115 E116 T139 | S108-A112 WeakPolarHBondContact O-CB 3.47Å; S108-A112 PolarHBondContact O-N 2.96Å; I109-A112 PolarHBondContact O-N 2.84Å; I110-A112 VanDerWaalsContact C-N 3.34Å; I110-A112 PolarHBondContact O-N 2.97Å; A112-V115 PolarHBondContact O-N 3.25Å; A112-E116 VanDerWaalsContact O-CB 3.24Å; A112-E116 WeakPolarHBondContact O-CB 3.43Å; A112-E116 PolarHBondContact O-N 2.85Å; A112-T139 HydrophobicContact CB-CG2 4.08Å |
| 113 | M | 91.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 173.5 | -71.9 | -169.5 | -65.1 | 0 | 0 | 112.6 | F54 L57 V58 L61 I109 I110 C111 E116 R117 L276 | F54-M113 HydrophobicContact CE2-SD 4.46Å; L57-M113 HydrophobicContact CB-CG 3.43Å; L57-M113 VanDerWaalsContact CB-CG 3.43Å; L57-M113 HydrophobicContact CB-SD 3.88Å; L57-M113 HydrophobicContact CD1-CB 4.47Å; L57-M113 HydrophobicContact CD1-CG 3.73Å; L57-M113 HydrophobicContact CG-CG 4.21Å; V58-M113 HydrophobicContact CB-SD 4.36Å; V58-M113 HydrophobicContact CG2-SD 3.5Å; V58-M113 WeakPolarHBondContact CG2-SD 3.38Å; L61-M113 HydrophobicContact CD2-CE 3.96Å; I109-M113 HydrophobicContact CG2-CE 4.34Å; I109-M113 WeakPolarHBondContact O-CG 3.24Å; I109-M113 PolarHBondContact O-N 3.43Å; I110-M113 HydrophobicContact CD1-CE 3.63Å; I110-M113 HydrophobicContact CG1-CE 4.07Å; I110-M113 PolarHBondContact O-N 3.48Å; C111-M113 VanDerWaalsContact C-N 3.35Å; C111-M113 PolarHBondContact O-N 3.37Å; M113-E116 PolarHBondContact O-N 2.83Å; M113-R117 WeakPolarHBondContact O-CB 3.2Å; M113-R117 VanDerWaalsContact O-CG 3.3Å; M113-R117 WeakPolarHBondContact O-CG 3.38Å; M113-R117 PolarHBondContact O-N 2.99Å; M113-L276 HydrophobicContact CB-CD1 3.69Å |
| 114 | S | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 176.7 | -70.2 | 0 | 0 | 0 | 0 | 112.3 | I110 C111 Y118 N203 | I110-S114 PolarHBondContact O-N 3.43Å; I110-S114 PolarHBondContact O-OG 3.07Å; C111-S114 PolarHBondContact O-N 2.92Å; S114-Y118 VanDerWaalsContact O-CB 3.26Å; S114-Y118 WeakPolarHBondContact O-CB 3.44Å; S114-Y118 PolarHBondContact O-N 3.08Å; S114-N203 WeakPolarHBondContact CB-OD1 3.3Å; S114-N203 PolarHBondContact OG-ND2 2.81Å; S114-N203 PolarHBondContact OG-OD1 3.48Å |
| 115 | V | 92.1 | Very high | 89.9 | Confident | 58 Ų | 58 | 33.8 Ų | 33.8 | 35% | 0.352 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -67.8 | -43.8 | 173 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | C111 A112 R117 Y118 L119 | C111-V115 WeakPolarHBondContact O-CG2 3.34Å; C111-V115 PolarHBondContact O-N 3.31Å; A112-V115 PolarHBondContact O-N 3.25Å; V115-R117 PolarHBondContact O-N 3.13Å; V115-Y118 WeakPolarHBondContact O-CB 3.44Å; V115-Y118 PolarHBondContact O-N 2.9Å; V115-L119 HydrophobicContact CG1-CD1 4.03Å; V115-L119 HydrophobicContact CG1-CG 4.37Å; V115-L119 WeakPolarHBondContact O-CG 3.33Å; V115-L119 PolarHBondContact O-N 3.18Å |
| 116 | E | 90.1 | Very high | 89.2 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | 177.7 | -178.3 | -89.9 | 172.1 | 0 | 0 | 111.9 | T53 F54 L57 A112 M113 A120 Y127 V131 | T53-E116 WeakPolarHBondContact CB-OE1 3.41Å; T53-E116 HydrophobicContact CG2-CG 3.67Å; F54-E116 PolarHBondContact N-OE1 3.38Å; L57-E116 HydrophobicContact CD1-CB 3.99Å; L57-E116 HydrophobicContact CD1-CG 4.02Å; A112-E116 VanDerWaalsContact O-CB 3.24Å; A112-E116 WeakPolarHBondContact O-CB 3.43Å; A112-E116 PolarHBondContact O-N 2.85Å; M113-E116 PolarHBondContact O-N 2.83Å; E116-A120 WeakPolarHBondContact O-CB 3.34Å; E116-A120 PolarHBondContact O-N 2.86Å; E116-Y127 HydrophobicContact CG-CE2 4.26Å; E116-Y127 PolarHBondContact OE1-OH 2.91Å; E116-V131 HydrophobicContact CG-CG1 4.47Å |
| 117 | R | 88.3 | Confident | 88.6 | Confident | 13 Ų | 13 | 40 Ų | 40 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.7 | -36.7 | 174 | -67.3 | -71.5 | 94.8 | -164.8 | -0.1 | 112.5 | F54 M113 V115 I121 V206 L276 | F54-R117 HydrophobicContact CD2-CG 3.88Å; F54-R117 HydrophobicContact CE2-CG 4.08Å; M113-R117 WeakPolarHBondContact O-CB 3.2Å; M113-R117 VanDerWaalsContact O-CG 3.3Å; M113-R117 WeakPolarHBondContact O-CG 3.38Å; M113-R117 PolarHBondContact O-N 2.99Å; V115-R117 PolarHBondContact O-N 3.13Å; R117-I121 WeakPolarHBondContact O-CD1 3.42Å; R117-I121 WeakPolarHBondContact O-CG1 3.43Å; R117-I121 PolarHBondContact O-N 3.32Å; R117-V206 HydrophobicContact CB-CG2 4.48Å; R117-L276 HydrophobicContact CB-CD2 3.83Å; R117-L276 HydrophobicContact CG-CD1 4.09Å; R117-L276 HydrophobicContact CG-CD2 3.86Å; R117-L276 HydrophobicContact CG-CG 4.37Å |
| 118 | Y | 88.5 | Confident | 87.8 | Confident | 61 Ų | 61 | 45 Ų | 45 | 24% | 0.239 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 174.7 | 168.9 | -94.4 | 0 | 0 | 0 | 112.1 | S114 V115 I121 N122 L205 | S114-Y118 VanDerWaalsContact O-CB 3.26Å; S114-Y118 WeakPolarHBondContact O-CB 3.44Å; S114-Y118 PolarHBondContact O-N 3.08Å; V115-Y118 WeakPolarHBondContact O-CB 3.44Å; V115-Y118 PolarHBondContact O-N 2.9Å; Y118-I121 PolarHBondContact O-N 3.39Å; Y118-N122 WeakPolarHBondContact CD2-ND2 3.44Å; Y118-N122 HydrophobicContact CE2-CB 4.35Å; Y118-N122 WeakPolarHBondContact CE2-ND2 3.49Å; Y118-N122 PolarHBondContact O-N 2.75Å; Y118-N122 PolarHBondContact O-ND2 3.11Å; Y118-L205 HydrophobicContact CD2-CB 3.75Å; Y118-L205 HydrophobicContact CD2-CD1 4.2Å; Y118-L205 HydrophobicContact CE2-CB 3.76Å; Y118-L205 HydrophobicContact CE2-CD1 3.76Å; Y118-L205 HydrophobicContact CE2-CG 4.31Å |
| 119 | L | 88.3 | Confident | 87 | Confident | 43 Ų | 43 | 51 Ų | 51 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 177.9 | -70.3 | 173.5 | 0 | 0 | 0 | 111.6 | V115 I121 H123 Y127 | V115-L119 HydrophobicContact CG1-CD1 4.03Å; V115-L119 HydrophobicContact CG1-CG 4.37Å; V115-L119 WeakPolarHBondContact O-CG 3.33Å; V115-L119 PolarHBondContact O-N 3.18Å; L119-I121 VanDerWaalsContact C-N 3.28Å; L119-I121 PolarHBondContact O-N 3.48Å; L119-H123 CarbonylContact O-C 3.53Å; L119-H123 VanDerWaalsContact O-C 3.23Å; L119-H123 WeakPolarHBondContact O-CA 3.38Å; L119-H123 PolarHBondContact O-N 3.46Å; L119-Y127 HydrophobicContact CB-CD2 4.36Å |
| 120 | A | 84.6 | Confident | 86.2 | Confident | 21 Ų | 21 | 57.3 Ų | 57.3 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.2 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | E116 Y127 | E116-A120 WeakPolarHBondContact O-CB 3.34Å; E116-A120 PolarHBondContact O-N 2.86Å; A120-Y127 VanDerWaalsContact CA-CD2 3.46Å; A120-Y127 HydrophobicContact CB-CD1 4.48Å; A120-Y127 HydrophobicContact CB-CD2 3.62Å; A120-Y127 HydrophobicContact CB-CE2 3.64Å; A120-Y127 HydrophobicContact CB-CG 4.07Å |
| 121 | I | 83 | Confident | 85.5 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 15% | 0.154 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -88.7 | -39.7 | -171.2 | -65.6 | 167.8 | 0 | 0 | 0 | 112.2 | R117 Y118 L119 V206 A209 L210 M213 V273 | R117-I121 WeakPolarHBondContact O-CD1 3.42Å; R117-I121 WeakPolarHBondContact O-CG1 3.43Å; R117-I121 PolarHBondContact O-N 3.32Å; Y118-I121 PolarHBondContact O-N 3.39Å; L119-I121 VanDerWaalsContact C-N 3.28Å; L119-I121 PolarHBondContact O-N 3.48Å; I121-V206 HydrophobicContact CD1-CG1 3.84Å; I121-V206 HydrophobicContact CD1-CG2 4.37Å; I121-A209 HydrophobicContact CG2-CB 3.61Å; I121-L210 HydrophobicContact CD1-CD2 4.39Å; I121-M213 HydrophobicContact CG2-CE 3.77Å; I121-M213 HydrophobicContact CG2-SD 4.39Å; I121-M213 WeakPolarHBondContact O-CE 3.44Å; I121-V273 HydrophobicContact CD1-CG2 3.64Å |
| 122 | N | 83.7 | Confident | 84.7 | Confident | 61 Ų | 61 | 62.6 Ų | 62.6 | 33% | 0.326 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -93 | -27.4 | -177.1 | -66.3 | -68.8 | 0 | 0 | 0 | 113.4 | Y118 A209 | Y118-N122 WeakPolarHBondContact CD2-ND2 3.44Å; Y118-N122 HydrophobicContact CE2-CB 4.35Å; Y118-N122 WeakPolarHBondContact CE2-ND2 3.49Å; Y118-N122 PolarHBondContact O-N 2.75Å; Y118-N122 PolarHBondContact O-ND2 3.11Å; N122-A209 WeakPolarHBondContact OD1-CB 3.31Å |
| 123 | H | 83.2 | Confident | 83.9 | Confident | 90 Ų | 90 | 66 Ų | 66 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | trans | -130.6 | 46.1 | -173.3 | -59.1 | -74.5 | 0 | 0 | 0 | 112 | L119 Y125 F126 Y127 | L119-H123 CarbonylContact O-C 3.53Å; L119-H123 VanDerWaalsContact O-C 3.23Å; L119-H123 WeakPolarHBondContact O-CA 3.38Å; L119-H123 PolarHBondContact O-N 3.46Å; H123-Y125 PolarHBondContact O-N 3Å; H123-F126 HydrophobicContact CB-CB 4.13Å; H123-F126 WeakPolarHBondContact O-CB 3.38Å; H123-F126 PolarHBondContact O-N 3.28Å; H123-Y127 PolarHBondContact O-N 2.93Å | ||
| 124 | A | 81.3 | Confident | 83.5 | Confident | 62 Ų | 62 | 76.7 Ų | 76.7 | 51% | 0.512 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -49.5 | -34.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S128 | A124-S128 VanDerWaalsContact O-CB 3.31Å; A124-S128 WeakPolarHBondContact O-CB 3.3Å; A124-S128 PolarHBondContact O-N 2.91Å |
| 125 | Y | 78.4 | Confident | 83.2 | Confident | 204 Ų | 204 | 80.3 Ų | 80.3 | 80% | 0.8 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.6 | -48.7 | 174.4 | -178.8 | -96.4 | 0 | 0 | 0 | 112.3 | H123 S128 H129 | H123-Y125 PolarHBondContact O-N 3Å; Y125-S128 PolarHBondContact O-N 3.02Å; Y125-H129 PolarHBondContact O-N 3.12Å |
| 126 | F | 81.6 | Confident | 82.9 | Confident | 96 Ų | 96 | 77.7 Ų | 77.7 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.8 | -44.2 | 176.1 | -177.2 | -89.2 | 0 | 0 | 0 | 111.1 | H123 S128 H129 Y130 | H123-F126 HydrophobicContact CB-CB 4.13Å; H123-F126 WeakPolarHBondContact O-CB 3.38Å; H123-F126 PolarHBondContact O-N 3.28Å; F126-S128 VanDerWaalsContact C-N 3.31Å; F126-S128 PolarHBondContact O-N 3.44Å; F126-H129 PolarHBondContact O-N 3.29Å; F126-H129 VanDerWaalsContact O-N 3.09Å; F126-Y130 HydrophobicContact CD1-CD2 4.3Å; F126-Y130 AromaticContact CD2-CD2 3.43Å; F126-Y130 HydrophobicContact CD2-CD2 3.43Å; F126-Y130 VanDerWaalsContact CD2-CD2 3.43Å; F126-Y130 AromaticContact CD2-CE2 3.65Å; F126-Y130 HydrophobicContact CD2-CE2 3.65Å; F126-Y130 HydrophobicContact CD2-CG 4.37Å; F126-Y130 HydrophobicContact CE1-CD2 4.19Å; F126-Y130 HydrophobicContact CE1-CG 4.26Å; F126-Y130 AromaticContact CE2-CD2 3.3Å; F126-Y130 HydrophobicContact CE2-CD2 3.3Å; F126-Y130 AromaticContact CE2-CE2 3.45Å; F126-Y130 HydrophobicContact CE2-CE2 3.45Å; F126-Y130 VanDerWaalsContact CE2-CE2 3.45Å; F126-Y130 AromaticContact CE2-CG 3.92Å; F126-Y130 HydrophobicContact CE2-CG 3.92Å; F126-Y130 AromaticContact CG-CD2 3.94Å; F126-Y130 HydrophobicContact CG-CD2 3.94Å; F126-Y130 HydrophobicContact CZ-CD1 4.47Å; F126-Y130 AromaticContact CZ-CD2 3.71Å; F126-Y130 HydrophobicContact CZ-CD2 3.71Å; F126-Y130 HydrophobicContact CZ-CE2 4.22Å; F126-Y130 AromaticContact CZ-CG 3.84Å; F126-Y130 HydrophobicContact CZ-CG 3.84Å; F126-Y130 PolarHBondContact O-N 2.93Å |
| 127 | Y | 82.5 | Confident | 82.8 | Confident | 44 Ų | 44 | 78.9 Ų | 78.9 | 17% | 0.173 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56 | -45.7 | 175 | 179.9 | -81.4 | 0 | 0 | 0 | 111.5 | T53 E116 L119 A120 H123 H129 V131 | T53-Y127 PolarHBondContact OG1-OH 3.15Å; E116-Y127 HydrophobicContact CG-CE2 4.26Å; E116-Y127 PolarHBondContact OE1-OH 2.91Å; L119-Y127 HydrophobicContact CB-CD2 4.36Å; A120-Y127 VanDerWaalsContact CA-CD2 3.46Å; A120-Y127 HydrophobicContact CB-CD1 4.48Å; A120-Y127 HydrophobicContact CB-CD2 3.62Å; A120-Y127 HydrophobicContact CB-CE2 3.64Å; A120-Y127 HydrophobicContact CB-CG 4.07Å; H123-Y127 PolarHBondContact O-N 2.93Å; Y127-H129 PolarHBondContact O-N 3.34Å; Y127-V131 HydrophobicContact CD2-CB 3.64Å; Y127-V131 HydrophobicContact CD2-CG1 3.76Å; Y127-V131 HydrophobicContact CD2-CG2 3.8Å; Y127-V131 HydrophobicContact CE2-CB 3.84Å; Y127-V131 HydrophobicContact CE2-CG1 3.47Å; Y127-V131 VanDerWaalsContact CE2-CG1 3.47Å; Y127-V131 HydrophobicContact CE2-CG2 4.38Å; Y127-V131 HydrophobicContact CG-CB 4.01Å; Y127-V131 HydrophobicContact CG-CG2 4.23Å; Y127-V131 WeakPolarHBondContact O-CB 3.48Å; Y127-V131 PolarHBondContact O-N 3.11Å |
| 128 | S | 79 | Confident | 83 | Confident | 107 Ų | 107 | 83.4 Ų | 83.4 | 75% | 0.748 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -70.7 | -8.8 | 179.6 | -168.7 | 0 | 0 | 0 | 0 | 114.9 | A124 Y125 F126 | A124-S128 VanDerWaalsContact O-CB 3.31Å; A124-S128 WeakPolarHBondContact O-CB 3.3Å; A124-S128 PolarHBondContact O-N 2.91Å; Y125-S128 PolarHBondContact O-N 3.02Å; F126-S128 VanDerWaalsContact C-N 3.31Å; F126-S128 PolarHBondContact O-N 3.44Å |
| 129 | H | 78.8 | Confident | 83.1 | Confident | 133 Ų | 133 | 82.9 Ų | 82.9 | 62% | 0.616 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -111.9 | -31.2 | -179.4 | -166.7 | 54.1 | 0 | 0 | 0 | 113.2 | Y125 F126 Y127 | Y125-H129 PolarHBondContact O-N 3.12Å; F126-H129 PolarHBondContact O-N 3.29Å; F126-H129 VanDerWaalsContact O-N 3.09Å; Y127-H129 PolarHBondContact O-N 3.34Å |
| 130 | Y | 78.9 | Confident | 83.3 | Confident | 135 Ų | 135 | 81.9 Ų | 81.9 | 53% | 0.529 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -113.4 | -26.8 | -176.6 | -71.3 | -87 | 0 | 0 | 0 | 114.9 | F126 D132 L135 | F126-Y130 HydrophobicContact CD1-CD2 4.3Å; F126-Y130 AromaticContact CD2-CD2 3.43Å; F126-Y130 HydrophobicContact CD2-CD2 3.43Å; F126-Y130 VanDerWaalsContact CD2-CD2 3.43Å; F126-Y130 AromaticContact CD2-CE2 3.65Å; F126-Y130 HydrophobicContact CD2-CE2 3.65Å; F126-Y130 HydrophobicContact CD2-CG 4.37Å; F126-Y130 HydrophobicContact CE1-CD2 4.19Å; F126-Y130 HydrophobicContact CE1-CG 4.26Å; F126-Y130 AromaticContact CE2-CD2 3.3Å; F126-Y130 HydrophobicContact CE2-CD2 3.3Å; F126-Y130 AromaticContact CE2-CE2 3.45Å; F126-Y130 HydrophobicContact CE2-CE2 3.45Å; F126-Y130 VanDerWaalsContact CE2-CE2 3.45Å; F126-Y130 AromaticContact CE2-CG 3.92Å; F126-Y130 HydrophobicContact CE2-CG 3.92Å; F126-Y130 AromaticContact CG-CD2 3.94Å; F126-Y130 HydrophobicContact CG-CD2 3.94Å; F126-Y130 HydrophobicContact CZ-CD1 4.47Å; F126-Y130 AromaticContact CZ-CD2 3.71Å; F126-Y130 HydrophobicContact CZ-CD2 3.71Å; F126-Y130 HydrophobicContact CZ-CE2 4.22Å; F126-Y130 AromaticContact CZ-CG 3.84Å; F126-Y130 HydrophobicContact CZ-CG 3.84Å; F126-Y130 PolarHBondContact O-N 2.93Å; Y130-D132 VanDerWaalsContact C-N 3.33Å; Y130-D132 PolarHBondContact O-N 2.78Å; Y130-L135 WeakPolarHBondContact O-CD2 3.31Å |
| 131 | V | 78.4 | Confident | 83.8 | Confident | 21 Ų | 21 | 87.7 Ų | 87.7 | 13% | 0.127 | 43% | 0.43 | C | S | . | . | trans | -92.1 | 70.3 | -168.3 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | T53 E116 Y127 | T53-V131 HydrophobicContact CG2-CG1 3.76Å; T53-V131 PolarHBondContact OG1-O 3.37Å; E116-V131 HydrophobicContact CG-CG1 4.47Å; Y127-V131 HydrophobicContact CD2-CB 3.64Å; Y127-V131 HydrophobicContact CD2-CG1 3.76Å; Y127-V131 HydrophobicContact CD2-CG2 3.8Å; Y127-V131 HydrophobicContact CE2-CB 3.84Å; Y127-V131 HydrophobicContact CE2-CG1 3.47Å; Y127-V131 VanDerWaalsContact CE2-CG1 3.47Å; Y127-V131 HydrophobicContact CE2-CG2 4.38Å; Y127-V131 HydrophobicContact CG-CB 4.01Å; Y127-V131 HydrophobicContact CG-CG2 4.23Å; Y127-V131 WeakPolarHBondContact O-CB 3.48Å; Y127-V131 PolarHBondContact O-N 3.11Å | ||
| 132 | D | 79.1 | Confident | 84.4 | Confident | 105 Ų | 105 | 88.6 Ų | 88.6 | 56% | 0.561 | 44% | 0.442 | S | S | * | . | trans | -86.5 | 161.8 | -176.1 | -134.5 | -23.2 | 0 | 0 | 0 | 113.5 | Y130 R134 L135 A136 | Y130-D132 VanDerWaalsContact C-N 3.33Å; Y130-D132 PolarHBondContact O-N 2.78Å; D132-R134 PolarHBondContact O-N 3.3Å; D132-L135 WeakPolarHBondContact O-CB 3.26Å; D132-L135 PolarHBondContact O-N 3.34Å; D132-A136 PolarHBondContact O-N 3.19Å; D132-A136 VanDerWaalsContact O-N 3.08Å | ||
| 133 | K | 77.8 | Confident | 85 | Confident | 93 Ų | 93 | 86.6 Ų | 86.6 | 40% | 0.404 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.5 | -32 | 178.7 | -58.6 | 174.7 | -167.7 | 173.9 | 0 | 112.7 | E51 L135 A136 G137 | E51-K133 HydrophobicContact CB-CD 4.32Å; E51-K133 VanDerWaalsContact O-CE 3.29Å; E51-K133 WeakPolarHBondContact O-CE 3.37Å; E51-K133 WeakPolarHBondContact OE2-CE 3.2Å; E51-K133 IonicContact OE2-NZ 3.18Å; E51-K133 PolarHBondContact OE2-NZ 3.32Å; K133-L135 VanDerWaalsContact C-N 3.35Å; K133-A136 WeakPolarHBondContact O-CB 3.33Å; K133-A136 PolarHBondContact O-N 2.77Å; K133-G137 PolarHBondContact O-N 3.39Å; K133-G137 VanDerWaalsContact O-N 3.15Å |
| 134 | R | 83.4 | Confident | 85.6 | Confident | 224 Ų | 224 | 85.1 Ų | 85.1 | 85% | 0.845 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.7 | -40.1 | 174 | -71.8 | -177.1 | 175.1 | -178.4 | -1.4 | 111.1 | D132 G137 L138 | D132-R134 PolarHBondContact O-N 3.3Å; R134-G137 PolarHBondContact O-N 3.31Å; R134-L138 WeakPolarHBondContact O-CB 3.47Å; R134-L138 PolarHBondContact O-N 3.34Å |
| 135 | L | 85.9 | Confident | 86.3 | Confident | 75 Ų | 75 | 84.5 Ų | 84.5 | 39% | 0.393 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 174.3 | -173.1 | 63.4 | 0 | 0 | 0 | 110.7 | Y130 D132 K133 G137 L138 T139 | Y130-L135 WeakPolarHBondContact O-CD2 3.31Å; D132-L135 WeakPolarHBondContact O-CB 3.26Å; D132-L135 PolarHBondContact O-N 3.34Å; K133-L135 VanDerWaalsContact C-N 3.35Å; L135-G137 PolarHBondContact O-N 3.4Å; L135-L138 CarbonylContact O-C 3.23Å; L135-L138 PolarHBondContact O-N 3.35Å; L135-T139 WeakPolarHBondContact O-CB 3.2Å; L135-T139 PolarHBondContact O-N 2.84Å; L135-T139 PolarHBondContact O-OG1 3.04Å |
| 136 | A | 86.3 | Confident | 87.1 | Confident | 4 Ų | 4 | 77.5 Ų | 77.5 | 3% | 0.033 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -56.1 | -46.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T53 T56 D132 K133 T139 L140 | T53-A136 HydrophobicContact CG2-CB 3.63Å; T56-A136 HydrophobicContact CG2-CB 4.48Å; D132-A136 PolarHBondContact O-N 3.19Å; D132-A136 VanDerWaalsContact O-N 3.08Å; K133-A136 WeakPolarHBondContact O-CB 3.33Å; K133-A136 PolarHBondContact O-N 2.77Å; A136-T139 PolarHBondContact O-N 3.3Å; A136-L140 PolarHBondContact O-N 3.31Å; A136-L140 VanDerWaalsContact O-N 3.11Å |
| 137 | G | 88.6 | Confident | 87.8 | Confident | 35 Ų | 35 | 73 Ų | 73 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K133 R134 L135 L140 F141 | K133-G137 PolarHBondContact O-N 3.39Å; K133-G137 VanDerWaalsContact O-N 3.15Å; R134-G137 PolarHBondContact O-N 3.31Å; L135-G137 PolarHBondContact O-N 3.4Å; G137-L140 PolarHBondContact O-N 2.92Å; G137-F141 PolarHBondContact O-N 2.95Å |
| 138 | L | 91.3 | Very high | 88.4 | Confident | 107 Ų | 107 | 74 Ų | 74 | 56% | 0.56 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.9 | -39.1 | 175.4 | -177 | 62 | 0 | 0 | 0 | 112 | R134 L135 F141 A142 | R134-L138 WeakPolarHBondContact O-CB 3.47Å; R134-L138 PolarHBondContact O-N 3.34Å; L135-L138 CarbonylContact O-C 3.23Å; L135-L138 PolarHBondContact O-N 3.35Å; L138-F141 PolarHBondContact O-N 3.46Å; L138-A142 VanDerWaalsContact O-CB 3.24Å; L138-A142 WeakPolarHBondContact O-CB 3.38Å; L138-A142 PolarHBondContact O-N 2.95Å |
| 139 | T | 91.4 | Very high | 89.1 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 31% | 0.313 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 174.5 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | A112 L135 A136 A142 V143 | A112-T139 HydrophobicContact CB-CG2 4.08Å; L135-T139 WeakPolarHBondContact O-CB 3.2Å; L135-T139 PolarHBondContact O-N 2.84Å; L135-T139 PolarHBondContact O-OG1 3.04Å; A136-T139 PolarHBondContact O-N 3.3Å; T139-A142 PolarHBondContact O-N 3.37Å; T139-V143 HydrophobicContact CG2-CG2 4.46Å; T139-V143 WeakPolarHBondContact O-CB 3.13Å; T139-V143 VanDerWaalsContact O-CG2 3.3Å; T139-V143 WeakPolarHBondContact O-CG2 3.18Å; T139-V143 PolarHBondContact O-N 2.99Å |
| 140 | L | 93.1 | Very high | 89.9 | Confident | 21 Ų | 21 | 69.6 Ų | 69.6 | 11% | 0.11 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 174.2 | -72.5 | 171.8 | 0 | 0 | 0 | 111.6 | T56 L57 I109 A136 G137 V143 Y144 | T56-L140 HydrophobicContact CG2-CD1 4.43Å; L57-L140 HydrophobicContact CD2-CD1 4.27Å; L57-L140 HydrophobicContact CD2-CD2 3.93Å; L57-L140 HydrophobicContact CD2-CG 3.82Å; I109-L140 HydrophobicContact CD1-CD2 4.08Å; I109-L140 HydrophobicContact CG1-CD2 3.94Å; I109-L140 HydrophobicContact CG2-CD2 4.2Å; A136-L140 PolarHBondContact O-N 3.31Å; A136-L140 VanDerWaalsContact O-N 3.11Å; G137-L140 PolarHBondContact O-N 2.92Å; L140-V143 PolarHBondContact O-N 3.39Å; L140-Y144 WeakPolarHBondContact O-CD2 3.24Å; L140-Y144 PolarHBondContact O-N 2.89Å |
| 141 | F | 94.6 | Very high | 90.5 | Very high | 144 Ų | 144 | 63.2 Ų | 63.2 | 63% | 0.632 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.2 | -45.2 | 177.1 | 179.1 | -98 | 0 | 0 | 0 | 112.2 | G137 L138 Y144 A145 | G137-F141 PolarHBondContact O-N 2.95Å; L138-F141 PolarHBondContact O-N 3.46Å; F141-Y144 PolarHBondContact O-N 3.17Å; F141-A145 WeakPolarHBondContact O-CB 3.44Å; F141-A145 PolarHBondContact O-N 3.46Å |
| 142 | A | 95.1 | Very high | 91.1 | Very high | 49 Ų | 49 | 63.3 Ų | 63.3 | 41% | 0.405 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L138 T139 A145 S146 | L138-A142 VanDerWaalsContact O-CB 3.24Å; L138-A142 WeakPolarHBondContact O-CB 3.38Å; L138-A142 PolarHBondContact O-N 2.95Å; T139-A142 PolarHBondContact O-N 3.37Å; A142-A145 PolarHBondContact O-N 3.43Å; A142-S146 WeakPolarHBondContact O-CB 3.49Å; A142-S146 PolarHBondContact O-N 3.23Å; A142-S146 PolarHBondContact O-OG 3.05Å; A142-S146 VanDerWaalsContact O-OG 3.14Å |
| 143 | V | 95.8 | Very high | 91.6 | Very high | 19 Ų | 19 | 60 Ų | 60 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 174.7 | 162.3 | 0 | 0 | 0 | 0 | 111.4 | I109 T139 L140 S146 N147 | I109-V143 HydrophobicContact CG1-CG1 4.08Å; T139-V143 HydrophobicContact CG2-CG2 4.46Å; T139-V143 WeakPolarHBondContact O-CB 3.13Å; T139-V143 VanDerWaalsContact O-CG2 3.3Å; T139-V143 WeakPolarHBondContact O-CG2 3.18Å; T139-V143 PolarHBondContact O-N 2.99Å; L140-V143 PolarHBondContact O-N 3.39Å; V143-S146 PolarHBondContact O-OG 3.2Å; V143-S146 VanDerWaalsContact O-OG 3.04Å; V143-N147 WeakPolarHBondContact O-CB 3.2Å; V143-N147 PolarHBondContact O-N 3.24Å; V143-N147 PolarHBondContact O-OD1 3.46Å |
| 144 | Y | 96.2 | Very high | 92 | Very high | 59 Ų | 59 | 56 Ų | 56 | 23% | 0.231 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 175.8 | -74.4 | -53.1 | 0 | 0 | 0 | 111.8 | T64 F101 L140 F141 N147 V148 | T64-Y144 HydrophobicContact CG2-CE1 4.49Å; T64-Y144 PolarHBondContact OG1-OH 2.84Å; F101-Y144 HydrophobicContact CE2-CD1 4.15Å; F101-Y144 AromaticContact CZ-CD1 3.65Å; F101-Y144 HydrophobicContact CZ-CD1 3.65Å; F101-Y144 HydrophobicContact CZ-CE1 4.16Å; L140-Y144 WeakPolarHBondContact O-CD2 3.24Å; L140-Y144 PolarHBondContact O-N 2.89Å; F141-Y144 PolarHBondContact O-N 3.17Å; Y144-N147 PolarHBondContact O-N 3.06Å; Y144-V148 WeakPolarHBondContact O-CB 3.31Å; Y144-V148 WeakPolarHBondContact O-CG2 3.34Å; Y144-V148 PolarHBondContact O-N 3.33Å |
| 145 | A | 96.2 | Very high | 92 | Very high | 48 Ų | 48 | 49.4 Ų | 49.4 | 40% | 0.397 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F141 A142 N147 L149 | F141-A145 WeakPolarHBondContact O-CB 3.44Å; F141-A145 PolarHBondContact O-N 3.46Å; A142-A145 PolarHBondContact O-N 3.43Å; A145-N147 VanDerWaalsContact C-N 3.34Å; A145-N147 PolarHBondContact O-N 3.38Å; A145-L149 WeakPolarHBondContact O-CB 3.48Å; A145-L149 PolarHBondContact O-N 3.02Å |
| 146 | S | 95.3 | Very high | 91.9 | Very high | 58 Ų | 58 | 52.6 Ų | 52.6 | 41% | 0.406 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.3 | -39.5 | 176.4 | 62.9 | 0 | 0 | 0 | 0 | 111.9 | A142 V143 L149 F150 | A142-S146 WeakPolarHBondContact O-CB 3.49Å; A142-S146 PolarHBondContact O-N 3.23Å; A142-S146 PolarHBondContact O-OG 3.05Å; A142-S146 VanDerWaalsContact O-OG 3.14Å; V143-S146 PolarHBondContact O-OG 3.2Å; V143-S146 VanDerWaalsContact O-OG 3.04Å; S146-L149 PolarHBondContact O-N 2.9Å; S146-F150 VanDerWaalsContact O-CB 3.28Å; S146-F150 WeakPolarHBondContact O-CB 3.25Å; S146-F150 PolarHBondContact O-N 2.92Å |
| 147 | N | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -74.6 | -37.7 | -178.9 | -70.2 | 3.5 | 0 | 0 | 0 | 112.2 | F101 L104 S105 V143 Y144 A145 F150 C151 | F101-N147 HydrophobicContact CD2-CB 3.97Å; F101-N147 HydrophobicContact CE2-CB 4.04Å; L104-N147 HydrophobicContact CD2-CB 4.48Å; L104-N147 PolarHBondContact O-ND2 3.14Å; L104-N147 VanDerWaalsContact O-ND2 3.13Å; S105-N147 WeakPolarHBondContact CA-ND2 3.31Å; S105-N147 PolarHBondContact N-ND2 3.47Å; S105-N147 VanDerWaalsContact N-ND2 3.18Å; S105-N147 PolarHBondContact OG-ND2 3.06Å; V143-N147 WeakPolarHBondContact O-CB 3.2Å; V143-N147 PolarHBondContact O-N 3.24Å; V143-N147 PolarHBondContact O-OD1 3.46Å; Y144-N147 PolarHBondContact O-N 3.06Å; A145-N147 VanDerWaalsContact C-N 3.34Å; A145-N147 PolarHBondContact O-N 3.38Å; N147-F150 PolarHBondContact O-N 3.02Å; N147-C151 WeakPolarHBondContact O-CB 3.3Å; N147-C151 PolarHBondContact O-N 3.31Å; N147-C151 PolarHBondContact O-SG 3.06Å |
| 148 | V | 95.3 | Very high | 91.5 | Very high | 66 Ų | 66 | 57.2 Ų | 57.2 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 170.7 | 168.2 | 0 | 0 | 0 | 0 | 110 | F101 Y144 F150 C151 A152 | F101-V148 HydrophobicContact CD2-CG2 4Å; F101-V148 HydrophobicContact CE2-CG2 3.51Å; F101-V148 HydrophobicContact CZ-CG2 4.09Å; Y144-V148 WeakPolarHBondContact O-CB 3.31Å; Y144-V148 WeakPolarHBondContact O-CG2 3.34Å; Y144-V148 PolarHBondContact O-N 3.33Å; V148-F150 PolarHBondContact O-N 2.85Å; V148-C151 PolarHBondContact O-N 3.23Å; V148-A152 WeakPolarHBondContact O-CB 3.39Å; V148-A152 PolarHBondContact O-N 3.03Å |
| 149 | L | 93.7 | Very high | 91.2 | Very high | 116 Ų | 116 | 52.5 Ų | 52.5 | 61% | 0.607 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.6 | -47.6 | 178.6 | -179.9 | 61.1 | 0 | 0 | 0 | 111.6 | A145 S146 A152 L153 | A145-L149 WeakPolarHBondContact O-CB 3.48Å; A145-L149 PolarHBondContact O-N 3.02Å; S146-L149 PolarHBondContact O-N 2.9Å; L149-A152 PolarHBondContact O-N 3.4Å; L149-L153 WeakPolarHBondContact O-CG 3.44Å |
| 150 | F | 94.4 | Very high | 91.1 | Very high | 32 Ų | 32 | 52 Ų | 52 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.8 | -39.2 | -179 | -170.5 | -89.3 | 0 | 0 | 0 | 113.3 | L104 S146 N147 V148 L153 Y184 M187 Y188 | L104-F150 HydrophobicContact CD2-CD1 3.68Å; L104-F150 HydrophobicContact CD2-CE1 4.27Å; L104-F150 HydrophobicContact CD2-CG 4.34Å; S146-F150 VanDerWaalsContact O-CB 3.28Å; S146-F150 WeakPolarHBondContact O-CB 3.25Å; S146-F150 PolarHBondContact O-N 2.92Å; N147-F150 PolarHBondContact O-N 3.02Å; V148-F150 PolarHBondContact O-N 2.85Å; F150-L153 HydrophobicContact CD2-CD1 4.38Å; F150-L153 WeakPolarHBondContact O-CG 3.48Å; F150-Y184 HydrophobicContact CE1-CE2 4.19Å; F150-Y184 HydrophobicContact CZ-CE2 4.46Å; F150-Y184 WeakPolarHBondContact O-CE2 3.19Å; F150-Y184 PolarHBondContact O-OH 2.95Å; F150-M187 HydrophobicContact CE2-CB 4.42Å; F150-M187 HydrophobicContact CE2-CE 4.19Å; F150-M187 HydrophobicContact CZ-CB 4.02Å; F150-Y188 HydrophobicContact CE1-CD2 4.17Å |
| 151 | C | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -81.2 | -13.4 | 179 | -63.4 | 0 | 0 | 0 | 0 | 113.2 | F97 L100 F101 N147 V148 P154 | F97-C151 HydrophobicContact CD2-CB 4.18Å; F97-C151 VanDerWaalsContact CD2-O 3.28Å; F97-C151 WeakPolarHBondContact CD2-O 3.48Å; F97-C151 HydrophobicContact CE2-CB 4.1Å; L100-C151 HydrophobicContact CB-CB 4.17Å; F101-C151 HydrophobicContact CB-CB 4.17Å; N147-C151 WeakPolarHBondContact O-CB 3.3Å; N147-C151 PolarHBondContact O-N 3.31Å; N147-C151 PolarHBondContact O-SG 3.06Å; V148-C151 PolarHBondContact O-N 3.23Å; C151-P154 VanDerWaalsContact O-CD 3.29Å; C151-P154 WeakPolarHBondContact O-CD 3.36Å |
| 152 | A | 91.1 | Very high | 90.9 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 20% | 0.198 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -80.6 | -19.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F97 V148 L149 P154 N155 M156 | F97-A152 HydrophobicContact CE2-CB 4.29Å; V148-A152 WeakPolarHBondContact O-CB 3.39Å; V148-A152 PolarHBondContact O-N 3.03Å; L149-A152 PolarHBondContact O-N 3.4Å; A152-P154 VanDerWaalsContact C-CD 3.41Å; A152-P154 VanDerWaalsContact C-N 3.33Å; A152-N155 WeakPolarHBondContact O-CA 3.29Å; A152-N155 WeakPolarHBondContact O-CB 3.27Å; A152-N155 PolarHBondContact O-N 3.23Å; A152-M156 PolarHBondContact O-N 2.91Å; A152-M156 VanDerWaalsContact O-N 3.12Å |
| 153 | L | 88.8 | Confident | 90.8 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 18% | 0.183 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -35.6 | -179.1 | -59.1 | -179.6 | 0 | 0 | 0 | 115 | L149 F150 M156 G157 L158 Y184 | L149-L153 WeakPolarHBondContact O-CG 3.44Å; F150-L153 HydrophobicContact CD2-CD1 4.38Å; F150-L153 WeakPolarHBondContact O-CG 3.48Å; L153-M156 CarbonylContact O-C 3.29Å; L153-M156 PolarHBondContact O-N 3.44Å; L153-G157 PolarHBondContact O-N 3.33Å; L153-L158 HydrophobicContact CB-CB 4.4Å; L153-L158 HydrophobicContact CB-CD1 4.26Å; L153-L158 HydrophobicContact CD1-CD1 4.48Å; L153-L158 HydrophobicContact CD2-CD1 4.31Å; L153-L158 PolarHBondContact O-N 3.3Å; L153-L158 VanDerWaalsContact O-N 3.08Å; L153-Y184 HydrophobicContact CB-CD2 4.15Å; L153-Y184 HydrophobicContact CB-CE2 3.84Å; L153-Y184 HydrophobicContact CD1-CE2 4.27Å |
| 154 | P | 86.6 | Confident | 90.6 | Very high | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -46.2 | 170 | -26.3 | 37.4 | 0 | 0 | 0 | 113.2 | L100 C151 A152 M156 G157 Y184 | L100-P154 HydrophobicContact CD1-CG 4.23Å; C151-P154 VanDerWaalsContact O-CD 3.29Å; C151-P154 WeakPolarHBondContact O-CD 3.36Å; A152-P154 VanDerWaalsContact C-CD 3.41Å; A152-P154 VanDerWaalsContact C-N 3.33Å; P154-M156 PolarHBondContact O-N 3.28Å; P154-G157 PolarHBondContact O-N 2.94Å; P154-Y184 HydrophobicContact CG-CD1 4.01Å; P154-Y184 HydrophobicContact CG-CD2 4.48Å; P154-Y184 HydrophobicContact CG-CE1 3.47Å; P154-Y184 VanDerWaalsContact CG-CE1 3.47Å; P154-Y184 HydrophobicContact CG-CE2 4Å; P154-Y184 HydrophobicContact CG-CG 4.49Å; P154-Y184 VanDerWaalsContact CG-CZ 3.45Å |
| 155 | N | 82.5 | Confident | 90.1 | Very high | 86 Ų | 86 | 53 Ų | 53 | 46% | 0.46 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -15.4 | -179.7 | -56.7 | -10.3 | 0 | 0 | 0 | 112 | A152 | A152-N155 WeakPolarHBondContact O-CA 3.29Å; A152-N155 WeakPolarHBondContact O-CB 3.27Å; A152-N155 PolarHBondContact O-N 3.23Å |
| 156 | M | 84.3 | Confident | 89.8 | Confident | 142 Ų | 142 | 52.7 Ų | 52.7 | 70% | 0.7 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 8.2 | 169.6 | -60.5 | -179.6 | 70.2 | 0 | 0 | 113.2 | A152 L153 P154 | A152-M156 PolarHBondContact O-N 2.91Å; A152-M156 VanDerWaalsContact O-N 3.12Å; L153-M156 CarbonylContact O-C 3.29Å; L153-M156 PolarHBondContact O-N 3.44Å; P154-M156 PolarHBondContact O-N 3.28Å |
| 157 | G | 82.5 | Confident | 89.5 | Confident | 49 Ų | 49 | 54.5 Ų | 54.5 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | L153 P154 G159 H181 | L153-G157 PolarHBondContact O-N 3.33Å; P154-G157 PolarHBondContact O-N 2.94Å; G157-G159 VanDerWaalsContact C-N 3.33Å; G157-H181 PolarHBondContact O-CE1 3.15Å |
| 158 | L | 82.9 | Confident | 89.2 | Confident | 88 Ų | 88 | 56.3 Ų | 56.3 | 46% | 0.461 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -77.3 | -20.6 | 175 | -69.2 | 178.6 | 0 | 0 | 0 | 112.9 | L153 A180 H181 | L153-L158 HydrophobicContact CB-CB 4.4Å; L153-L158 HydrophobicContact CB-CD1 4.26Å; L153-L158 HydrophobicContact CD1-CD1 4.48Å; L153-L158 HydrophobicContact CD2-CD1 4.31Å; L153-L158 PolarHBondContact O-N 3.3Å; L153-L158 VanDerWaalsContact O-N 3.08Å; L158-A180 CarbonylContact O-C 3.59Å; L158-A180 VanDerWaalsContact O-C 3.29Å; L158-H181 VanDerWaalsContact C-ND1 3.35Å; L158-H181 VanDerWaalsContact O-CA 3.28Å; L158-H181 WeakPolarHBondContact O-CA 3.19Å; L158-H181 PolarHBondContact O-N 2.93Å; L158-H181 PolarHBondContact O-ND1 3.27Å |
| 159 | G | 85.4 | Confident | 89.1 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -128.1 | 175.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | G157 H181 | G157-G159 VanDerWaalsContact C-N 3.33Å; G159-H181 VanDerWaalsContact CA-ND1 3.32Å; G159-H181 WeakPolarHBondContact CA-ND1 3.35Å; G159-H181 PolarHBondContact N-ND1 2.92Å; G159-H181 PolarHBondContact O-CE1 3.3Å |
| 160 | S | 88.7 | Confident | 89.1 | Confident | 41 Ų | 41 | 48.9 Ų | 48.9 | 29% | 0.287 | 26% | 0.262 | S | S | . | . | trans | -135.8 | 140.8 | 172.8 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | I172 D173 | S160-I172 WeakPolarHBondContact O-CA 3.17Å; S160-D173 PolarHBondContact O-N 3.04Å | ||
| 161 | S | 91.7 | Very high | 89.1 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126.9 | 175.4 | -59.8 | 0 | 0 | 0 | 0 | 109.3 | Q89 T96 | Q89-S161 PolarHBondContact NE2-O 2.97Å; T96-S161 WeakPolarHBondContact CB-OG 3.24Å; T96-S161 PolarHBondContact OG1-OG 3.49Å |
| 162 | R | 92 | Very high | 89.1 | Confident | 145 Ų | 145 | 47.5 Ų | 47.5 | 55% | 0.547 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 149.5 | 173.5 | -84 | -164.5 | -171.2 | -94.9 | -0.3 | 111.9 | C92 C170 F171 D173 | C92-R162 VanDerWaalsContact SG-C 3.58Å; R162-C170 WeakPolarHBondContact O-CA 3.43Å; R162-F171 PolarHBondContact N-O 3.47Å; R162-F171 PolarHBondContact O-N 2.95Å; R162-F171 VanDerWaalsContact O-O 3.05Å; R162-D173 HydrophobicContact CB-CB 4.44Å; R162-D173 WeakPolarHBondContact CD-OD2 3.4Å; R162-D173 HydrophobicContact CG-CB 4.07Å; R162-D173 IonicContact CZ-OD2 2.71Å; R162-D173 IonicContact NE-OD1 2.69Å; R162-D173 IonicContact NE-OD2 2.77Å; R162-D173 PolarHBondContact NE-OD2 2.89Å; R162-D173 IonicContact NH2-OD2 3.76Å |
| 163 | L | 92.9 | Very high | 89.1 | Confident | 59 Ų | 59 | 46.9 Ų | 46.9 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 132.6 | 161.5 | -166.2 | 69.7 | 0 | 0 | 0 | 108.9 | W85 D167 W169 C170 | W85-L163 HydrophobicContact CB-CD1 3.76Å; W85-L163 HydrophobicContact CB-CD2 4.16Å; W85-L163 HydrophobicContact CD2-CD1 3.64Å; W85-L163 HydrophobicContact CE3-CD1 4.02Å; W85-L163 HydrophobicContact CG-CD1 3.52Å; W85-L163 HydrophobicContact CG-CD2 4.48Å; L163-D167 HydrophobicContact CD2-CB 3.61Å; L163-D167 HydrophobicContact CG-CB 4.28Å; L163-W169 WeakPolarHBondContact CD1-O 3.45Å; L163-C170 VanDerWaalsContact CD1-SG 3.5Å |
| 164 | Q | 91.8 | Very high | 89.1 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 146.5 | -174.7 | -64.7 | -71.1 | -15.8 | 0 | 0 | 110.1 | D167 W169 F171 I172 | Q164-D167 PolarHBondContact O-N 2.82Å; Q164-W169 HydrophobicContact CB-CD2 3.85Å; Q164-W169 HydrophobicContact CB-CE3 4.4Å; Q164-W169 HydrophobicContact CB-CG 4.29Å; Q164-W169 HydrophobicContact CB-CH2 4.2Å; Q164-W169 HydrophobicContact CB-CZ2 3.6Å; Q164-W169 HydrophobicContact CG-CD2 4.41Å; Q164-W169 HydrophobicContact CG-CE3 4.47Å; Q164-W169 HydrophobicContact CG-CH2 4.15Å; Q164-W169 HydrophobicContact CG-CZ2 4.06Å; Q164-W169 HydrophobicContact CG-CZ3 4.36Å; Q164-W169 PolarHBondContact N-O 3.37Å; Q164-F171 HydrophobicContact CG-CB 4.06Å; Q164-I172 PolarHBondContact NE2-O 3.07Å; Q164-I172 VanDerWaalsContact NE2-O 3.14Å |
| 165 | Y | 86.8 | Confident | 89.2 | Confident | 79 Ų | 79 | 47.9 Ų | 47.9 | 31% | 0.31 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 141.9 | -176.2 | -177.4 | -97 | 0 | 0 | 0 | 112.8 | W169 L304 R306 | Y165-W169 PolarHBondContact O-NE1 2.87Å; Y165-W169 VanDerWaalsContact O-NE1 3.12Å; Y165-L304 HydrophobicContact CD1-CD1 4Å; Y165-L304 HydrophobicContact CD1-CD2 4.26Å; Y165-L304 HydrophobicContact CD1-CG 4.35Å; Y165-L304 HydrophobicContact CD2-CD2 3.92Å; Y165-L304 HydrophobicContact CG-CD1 4.09Å; Y165-L304 HydrophobicContact CG-CD2 3.76Å; Y165-L304 HydrophobicContact CG-CG 4.32Å; Y165-R306 PolarHBondContact OH-O 3.39Å |
| 166 | P | 89.2 | Confident | 89.5 | Confident | 41 Ų | 41 | 44.5 Ų | 44.5 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.8 | 74.5 | -6.4 | 37.2 | -36.5 | 0 | 0 | 0 | 111.2 | T168 V308 | P166-T168 VanDerWaalsContact C-N 3.27Å; P166-T168 WeakPolarHBondContact O-CG2 3.5Å; P166-T168 PolarHBondContact O-N 2.89Å; P166-T168 VanDerWaalsContact O-N 3.13Å; P166-T168 PolarHBondContact O-OG1 2.93Å; P166-V308 HydrophobicContact CG-CG2 3.86Å |
| 167 | D | 90 | Very high | 89.5 | Confident | 96 Ų | 96 | 44.1 Ų | 44.1 | 51% | 0.513 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 39.7 | 172.1 | -59 | -14.4 | 0 | 0 | 0 | 115.3 | W85 L163 Q164 | W85-D167 WeakPolarHBondContact CB-O 3.44Å; W85-D167 PolarHBondContact N-O 3.2Å; W85-D167 VanDerWaalsContact N-O 3.13Å; L163-D167 HydrophobicContact CD2-CB 3.61Å; L163-D167 HydrophobicContact CG-CB 4.28Å; Q164-D167 PolarHBondContact O-N 2.82Å |
| 168 | T | 90.4 | Very high | 89.9 | Confident | 38 Ų | 38 | 45.3 Ų | 45.3 | 23% | 0.233 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | -13.3 | -172.5 | 36.4 | 0 | 0 | 0 | 0 | 114.5 | T79 P166 | T79-T168 HydrophobicContact CG2-CG2 3.76Å; T79-T168 VanDerWaalsContact CG2-O 3.24Å; T79-T168 WeakPolarHBondContact CG2-O 3.39Å; T79-T168 PolarHBondContact OG1-O 3.36Å; P166-T168 VanDerWaalsContact C-N 3.27Å; P166-T168 WeakPolarHBondContact O-CG2 3.5Å; P166-T168 PolarHBondContact O-N 2.89Å; P166-T168 VanDerWaalsContact O-N 3.13Å; P166-T168 PolarHBondContact O-OG1 2.93Å |
| 169 | W | 92.7 | Very high | 90.3 | Very high | 26 Ų | 26 | 47 Ų | 47 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 153.3 | -178 | 64.9 | -66.9 | 0 | 0 | 0 | 111.1 | L163 Q164 Y165 F171 W174 D313 I317 | L163-W169 WeakPolarHBondContact CD1-O 3.45Å; Q164-W169 HydrophobicContact CB-CD2 3.85Å; Q164-W169 HydrophobicContact CB-CE3 4.4Å; Q164-W169 HydrophobicContact CB-CG 4.29Å; Q164-W169 HydrophobicContact CB-CH2 4.2Å; Q164-W169 HydrophobicContact CB-CZ2 3.6Å; Q164-W169 HydrophobicContact CG-CD2 4.41Å; Q164-W169 HydrophobicContact CG-CE3 4.47Å; Q164-W169 HydrophobicContact CG-CH2 4.15Å; Q164-W169 HydrophobicContact CG-CZ2 4.06Å; Q164-W169 HydrophobicContact CG-CZ3 4.36Å; Q164-W169 PolarHBondContact N-O 3.37Å; Y165-W169 PolarHBondContact O-NE1 2.87Å; Y165-W169 VanDerWaalsContact O-NE1 3.12Å; W169-F171 HydrophobicContact CE3-CB 4.14Å; W169-F171 HydrophobicContact CH2-CB 4.45Å; W169-F171 HydrophobicContact CZ3-CB 3.69Å; W169-F171 HydrophobicContact CZ3-CG 4.05Å; W169-W174 AromaticContact CH2-CH2 3.79Å; W169-W174 HydrophobicContact CH2-CH2 3.79Å; W169-W174 AromaticContact CH2-CZ2 3.81Å; W169-W174 HydrophobicContact CH2-CZ2 3.81Å; W169-W174 HydrophobicContact CZ2-CZ2 4.43Å; W169-D313 HydrophobicContact CH2-CB 4.21Å; W169-D313 HydrophobicContact CZ2-CB 3.93Å; W169-I317 HydrophobicContact CD2-CG2 4.4Å; W169-I317 HydrophobicContact CE3-CB 4.43Å; W169-I317 HydrophobicContact CE3-CG1 4.09Å; W169-I317 HydrophobicContact CE3-CG2 4.26Å; W169-I317 HydrophobicContact CH2-CB 4.44Å; W169-I317 HydrophobicContact CH2-CG2 4.37Å; W169-I317 HydrophobicContact CZ3-CB 4.11Å; W169-I317 HydrophobicContact CZ3-CD1 4.45Å; W169-I317 HydrophobicContact CZ3-CG1 4.05Å; W169-I317 HydrophobicContact CZ3-CG2 4.24Å |
| 170 | C | 93.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143.2 | 179.9 | -80.7 | 0 | 0 | 0 | 0 | 112.2 | W85 C92 R162 L163 | W85-C170 HydrophobicContact CH2-CB 4.16Å; W85-C170 HydrophobicContact CZ2-CB 4.22Å; C92-C170 WeakPolarHBondContact CA-SG 3.28Å; C92-C170 HydrophobicContact CB-CB 3.88Å; C92-C170 WeakPolarHBondContact CB-SG 3.17Å; C92-C170 WeakPolarHBondContact SG-CB 3.36Å; C92-C170 CovalentContact SG-SG 2.03Å; C92-C170 PolarHBondContact SG-SG 2.91Å; R162-C170 WeakPolarHBondContact O-CA 3.43Å; L163-C170 VanDerWaalsContact CD1-SG 3.5Å |
| 171 | F | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | -178.9 | 175.2 | -154.2 | -121.6 | 0 | 0 | 0 | 110.6 | T96 L99 L100 R162 Q164 W169 W174 Y188 L290 V294 | T96-F171 WeakPolarHBondContact OG1-CA 3.17Å; T96-F171 PolarHBondContact OG1-N 3.25Å; L99-F171 HydrophobicContact CB-CD2 4.33Å; L99-F171 HydrophobicContact CB-CE2 4.13Å; L99-F171 HydrophobicContact CD1-CD2 4.24Å; L100-F171 HydrophobicContact CD2-CE2 4.14Å; L100-F171 HydrophobicContact CD2-CZ 4.03Å; L100-F171 HydrophobicContact CG-CE2 4.48Å; R162-F171 PolarHBondContact N-O 3.47Å; R162-F171 PolarHBondContact O-N 2.95Å; R162-F171 VanDerWaalsContact O-O 3.05Å; Q164-F171 HydrophobicContact CG-CB 4.06Å; W169-F171 HydrophobicContact CE3-CB 4.14Å; W169-F171 HydrophobicContact CH2-CB 4.45Å; W169-F171 HydrophobicContact CZ3-CB 3.69Å; W169-F171 HydrophobicContact CZ3-CG 4.05Å; F171-W174 HydrophobicContact CD1-CD2 4.27Å; F171-W174 AromaticContact CD1-CE3 3.71Å; F171-W174 HydrophobicContact CD1-CE3 3.71Å; F171-W174 HydrophobicContact CD1-CH2 4.08Å; F171-W174 AromaticContact CD1-CZ3 3.61Å; F171-W174 HydrophobicContact CD1-CZ3 3.61Å; F171-W174 AromaticContact CE1-CE3 3.78Å; F171-W174 HydrophobicContact CE1-CE3 3.78Å; F171-W174 HydrophobicContact CE1-CH2 4.45Å; F171-W174 AromaticContact CE1-CZ3 3.62Å; F171-W174 HydrophobicContact CE1-CZ3 3.62Å; F171-Y188 HydrophobicContact CZ-CE1 4.44Å; F171-L290 HydrophobicContact CE1-CD1 4.47Å; F171-L290 HydrophobicContact CZ-CD1 4.42Å; F171-L290 HydrophobicContact CZ-CD2 4.46Å; F171-V294 HydrophobicContact CE1-CG2 4.3Å |
| 172 | I | 93.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 148.3 | 175.2 | 54.3 | 169 | 0 | 0 | 0 | 112.2 | T96 L100 S160 Q164 W174 Y184 V294 | T96-I172 HydrophobicContact CG2-CG2 3.7Å; L100-I172 HydrophobicContact CD1-CG2 3.86Å; L100-I172 HydrophobicContact CD2-CG2 4.18Å; L100-I172 HydrophobicContact CG-CG2 4.47Å; S160-I172 WeakPolarHBondContact O-CA 3.17Å; Q164-I172 PolarHBondContact NE2-O 3.07Å; Q164-I172 VanDerWaalsContact NE2-O 3.14Å; I172-W174 HydrophobicContact CG1-CB 4.49Å; I172-W174 PolarHBondContact O-N 3.36Å; I172-Y184 HydrophobicContact CG2-CD1 4.46Å; I172-Y184 HydrophobicContact CG2-CE1 4.16Å; I172-V294 HydrophobicContact CD1-CG1 4.15Å |
| 173 | D | 91.2 | Very high | 90.6 | Very high | 11 Ų | 11 | 44.1 Ų | 44.1 | 6% | 0.059 | 25% | 0.253 | C | S | . | . | trans | -74.7 | 70.3 | 171.7 | -168.3 | -3.8 | 0 | 0 | 0 | 111.4 | S160 R162 T175 T176 | S160-D173 PolarHBondContact O-N 3.04Å; R162-D173 HydrophobicContact CB-CB 4.44Å; R162-D173 WeakPolarHBondContact CD-OD2 3.4Å; R162-D173 HydrophobicContact CG-CB 4.07Å; R162-D173 IonicContact CZ-OD2 2.71Å; R162-D173 IonicContact NE-OD1 2.69Å; R162-D173 IonicContact NE-OD2 2.77Å; R162-D173 PolarHBondContact NE-OD2 2.89Å; R162-D173 IonicContact NH2-OD2 3.76Å; D173-T175 PolarHBondContact O-N 2.91Å; D173-T175 PolarHBondContact OD1-N 3.08Å; D173-T175 PolarHBondContact OD1-OG1 2.89Å; D173-T176 WeakPolarHBondContact O-CG2 3.24Å; D173-T176 PolarHBondContact O-N 3.36Å; D173-T176 PolarHBondContact OD1-N 2.79Å | ||
| 174 | W | 89.7 | Confident | 90.6 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 1% | 0.011 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | 11 | 174 | 54.9 | 17.1 | 0 | 0 | 0 | 114.9 | W169 F171 I172 L290 R293 V294 N297 Q298 D313 | W169-W174 AromaticContact CH2-CH2 3.79Å; W169-W174 HydrophobicContact CH2-CH2 3.79Å; W169-W174 AromaticContact CH2-CZ2 3.81Å; W169-W174 HydrophobicContact CH2-CZ2 3.81Å; W169-W174 HydrophobicContact CZ2-CZ2 4.43Å; F171-W174 HydrophobicContact CD1-CD2 4.27Å; F171-W174 AromaticContact CD1-CE3 3.71Å; F171-W174 HydrophobicContact CD1-CE3 3.71Å; F171-W174 HydrophobicContact CD1-CH2 4.08Å; F171-W174 AromaticContact CD1-CZ3 3.61Å; F171-W174 HydrophobicContact CD1-CZ3 3.61Å; F171-W174 AromaticContact CE1-CE3 3.78Å; F171-W174 HydrophobicContact CE1-CE3 3.78Å; F171-W174 HydrophobicContact CE1-CH2 4.45Å; F171-W174 AromaticContact CE1-CZ3 3.62Å; F171-W174 HydrophobicContact CE1-CZ3 3.62Å; I172-W174 HydrophobicContact CG1-CB 4.49Å; I172-W174 PolarHBondContact O-N 3.36Å; W174-L290 HydrophobicContact CZ3-CD1 4.39Å; W174-R293 HydrophobicContact CH2-CB 4.33Å; W174-R293 HydrophobicContact CZ3-CB 4.25Å; W174-V294 HydrophobicContact CB-CG1 4.5Å; W174-V294 HydrophobicContact CE3-CB 4.24Å; W174-V294 HydrophobicContact CE3-CG2 3.89Å; W174-V294 HydrophobicContact CZ3-CG2 4.09Å; W174-N297 HydrophobicContact CB-CB 4.28Å; W174-N297 HydrophobicContact CD2-CB 4.22Å; W174-N297 HydrophobicContact CG-CB 3.91Å; W174-N297 WeakPolarHBondContact CZ2-ND2 3.32Å; W174-N297 CarbonylContact O-C 3.19Å; W174-Q298 WeakPolarHBondContact O-CA 3.16Å; W174-Q298 PolarHBondContact O-N 3.48Å; W174-Q298 VanDerWaalsContact O-N 3.13Å; W174-Q298 PolarHBondContact O-OE1 3.32Å; W174-D313 HydrophobicContact CH2-CB 4.11Å; W174-D313 HydrophobicContact CZ2-CB 3.93Å; W174-D313 WeakPolarHBondContact CZ2-OD1 3.17Å |
| 175 | T | 87.6 | Confident | 90.7 | Very high | 61 Ų | 61 | 40.5 Ų | 40.5 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | -1.1 | -176.1 | 30.3 | 0 | 0 | 0 | 0 | 112.2 | D173 N297 Q301 | D173-T175 PolarHBondContact O-N 2.91Å; D173-T175 PolarHBondContact OD1-N 3.08Å; D173-T175 PolarHBondContact OD1-OG1 2.89Å; T175-N297 HydrophobicContact CG2-CB 4.49Å; T175-Q301 PolarHBondContact O-NE2 2.69Å |
| 176 | T | 88.6 | Confident | 91 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | trans | -73.9 | 146.6 | -177.5 | -169.6 | 0 | 0 | 0 | 0 | 113.1 | D173 V178 H181 A182 Q298 | D173-T176 WeakPolarHBondContact O-CG2 3.24Å; D173-T176 PolarHBondContact O-N 3.36Å; D173-T176 PolarHBondContact OD1-N 2.79Å; T176-V178 PolarHBondContact OG1-N 3.05Å; T176-V178 VanDerWaalsContact OG1-N 3.16Å; T176-H181 HydrophobicContact CG2-CB 3.43Å; T176-H181 VanDerWaalsContact CG2-CB 3.43Å; T176-A182 HydrophobicContact CG2-CB 4.46Å; T176-Q298 PolarHBondContact O-NE2 3.17Å | ||
| 177 | N | 85.5 | Confident | 91.3 | Very high | 133 Ų | 133 | 43.8 Ų | 43.8 | 71% | 0.711 | 25% | 0.248 | S | C | * | . | trans | -92.3 | -1 | 170.1 | -66.2 | -23.6 | 0 | 0 | 0 | 112.4 | T179 Q301 | N177-T179 PolarHBondContact O-N 3.11Å; N177-Q301 PolarHBondContact OD1-NE2 3.16Å | ||
| 178 | V | 91.1 | Very high | 91.5 | Very high | 75 Ų | 75 | 39.2 Ų | 39.2 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | trans | -75.2 | 119 | 176.5 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | T176 A180 H181 A182 | T176-V178 PolarHBondContact OG1-N 3.05Å; T176-V178 VanDerWaalsContact OG1-N 3.16Å; V178-A180 VanDerWaalsContact C-N 3.33Å; V178-A180 PolarHBondContact O-N 3.21Å; V178-H181 PolarHBondContact O-N 3.33Å; V178-A182 WeakPolarHBondContact O-CB 3.22Å; V178-A182 PolarHBondContact O-N 3.34Å | ||
| 179 | T | 90.5 | Very high | 91.7 | Very high | 122 Ų | 122 | 37.4 Ų | 37.4 | 75% | 0.748 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -56.3 | -40.3 | -170.8 | 51.2 | 0 | 0 | 0 | 0 | 114.1 | N177 A183 | N177-T179 PolarHBondContact O-N 3.11Å; T179-A183 VanDerWaalsContact O-CB 3.22Å; T179-A183 WeakPolarHBondContact O-CB 3.26Å; T179-A183 PolarHBondContact O-N 2.74Å |
| 180 | A | 89.9 | Confident | 91.9 | Very high | 41 Ų | 41 | 37.7 Ų | 37.7 | 34% | 0.339 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.4 | -50 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L158 V178 A183 Y184 | L158-A180 CarbonylContact O-C 3.59Å; L158-A180 VanDerWaalsContact O-C 3.29Å; V178-A180 VanDerWaalsContact C-N 3.33Å; V178-A180 PolarHBondContact O-N 3.21Å; A180-A183 WeakPolarHBondContact O-CB 3.45Å; A180-A183 PolarHBondContact O-N 3.22Å; A180-Y184 PolarHBondContact O-N 2.7Å |
| 181 | H | 90.9 | Very high | 92 | Very high | 40 Ų | 40 | 40.8 Ų | 40.8 | 19% | 0.185 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.4 | -39.4 | -179.5 | -58.1 | -21.3 | 0 | 0 | 0 | 112 | G157 L158 G159 T176 V178 A183 Y184 S185 | G157-H181 PolarHBondContact O-CE1 3.15Å; L158-H181 VanDerWaalsContact C-ND1 3.35Å; L158-H181 VanDerWaalsContact O-CA 3.28Å; L158-H181 WeakPolarHBondContact O-CA 3.19Å; L158-H181 PolarHBondContact O-N 2.93Å; L158-H181 PolarHBondContact O-ND1 3.27Å; G159-H181 VanDerWaalsContact CA-ND1 3.32Å; G159-H181 WeakPolarHBondContact CA-ND1 3.35Å; G159-H181 PolarHBondContact N-ND1 2.92Å; G159-H181 PolarHBondContact O-CE1 3.3Å; T176-H181 HydrophobicContact CG2-CB 3.43Å; T176-H181 VanDerWaalsContact CG2-CB 3.43Å; V178-H181 PolarHBondContact O-N 3.33Å; H181-A183 VanDerWaalsContact C-N 3.35Å; H181-Y184 PolarHBondContact O-N 3.05Å; H181-S185 PolarHBondContact O-N 2.97Å; H181-S185 PolarHBondContact O-OG 3.16Å |
| 182 | A | 91.3 | Very high | 92.2 | Very high | 13 Ų | 13 | 40.8 Ų | 40.8 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T176 V178 Y184 S185 Y186 Q298 | T176-A182 HydrophobicContact CG2-CB 4.46Å; V178-A182 WeakPolarHBondContact O-CB 3.22Å; V178-A182 PolarHBondContact O-N 3.34Å; A182-Y184 VanDerWaalsContact C-N 3.34Å; A182-Y184 PolarHBondContact O-N 3.4Å; A182-S185 WeakPolarHBondContact O-CB 3.2Å; A182-S185 PolarHBondContact O-N 2.96Å; A182-Y186 WeakPolarHBondContact O-CD2 3.33Å; A182-Y186 PolarHBondContact O-N 2.96Å; A182-Q298 HydrophobicContact CB-CG 4.39Å |
| 183 | A | 92.4 | Very high | 92.3 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 37% | 0.372 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T179 A180 H181 Y186 M187 | T179-A183 VanDerWaalsContact O-CB 3.22Å; T179-A183 WeakPolarHBondContact O-CB 3.26Å; T179-A183 PolarHBondContact O-N 2.74Å; A180-A183 WeakPolarHBondContact O-CB 3.45Å; A180-A183 PolarHBondContact O-N 3.22Å; H181-A183 VanDerWaalsContact C-N 3.35Å; A183-Y186 PolarHBondContact O-N 3.33Å; A183-M187 WeakPolarHBondContact O-CB 3.48Å; A183-M187 VanDerWaalsContact O-CG 3.28Å; A183-M187 WeakPolarHBondContact O-CG 3.39Å; A183-M187 PolarHBondContact O-N 3.03Å |
| 184 | Y | 93.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 172.7 | -176.4 | -92.8 | 0 | 0 | 0 | 112.2 | L100 F150 L153 P154 I172 A180 H181 A182 Y186 M187 Y188 | L100-Y184 HydrophobicContact CD1-CE1 4.35Å; F150-Y184 HydrophobicContact CE1-CE2 4.19Å; F150-Y184 HydrophobicContact CZ-CE2 4.46Å; F150-Y184 WeakPolarHBondContact O-CE2 3.19Å; F150-Y184 PolarHBondContact O-OH 2.95Å; L153-Y184 HydrophobicContact CB-CD2 4.15Å; L153-Y184 HydrophobicContact CB-CE2 3.84Å; L153-Y184 HydrophobicContact CD1-CE2 4.27Å; P154-Y184 HydrophobicContact CG-CD1 4.01Å; P154-Y184 HydrophobicContact CG-CD2 4.48Å; P154-Y184 HydrophobicContact CG-CE1 3.47Å; P154-Y184 VanDerWaalsContact CG-CE1 3.47Å; P154-Y184 HydrophobicContact CG-CE2 4Å; P154-Y184 HydrophobicContact CG-CG 4.49Å; P154-Y184 VanDerWaalsContact CG-CZ 3.45Å; I172-Y184 HydrophobicContact CG2-CD1 4.46Å; I172-Y184 HydrophobicContact CG2-CE1 4.16Å; A180-Y184 PolarHBondContact O-N 2.7Å; H181-Y184 PolarHBondContact O-N 3.05Å; A182-Y184 VanDerWaalsContact C-N 3.34Å; A182-Y184 PolarHBondContact O-N 3.4Å; Y184-Y186 VanDerWaalsContact C-N 3.3Å; Y184-Y186 PolarHBondContact O-N 2.91Å; Y184-M187 PolarHBondContact O-N 3.18Å; Y184-M187 VanDerWaalsContact O-N 3.16Å; Y184-Y188 PolarHBondContact O-N 3.49Å |
| 185 | S | 93.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.5 | -44.8 | 174.7 | -60 | 0 | 0 | 0 | 0 | 111.9 | H181 A182 A189 Q298 | H181-S185 PolarHBondContact O-N 2.97Å; H181-S185 PolarHBondContact O-OG 3.16Å; A182-S185 WeakPolarHBondContact O-CB 3.2Å; A182-S185 PolarHBondContact O-N 2.96Å; S185-A189 WeakPolarHBondContact O-CB 3.44Å; S185-A189 PolarHBondContact O-N 3.48Å; S185-Q298 VanDerWaalsContact CB-OE1 3.28Å; S185-Q298 PolarHBondContact OG-OE1 3.45Å |
| 186 | Y | 93.4 | Very high | 93.4 | Very high | 85 Ų | 85 | 46.9 Ų | 46.9 | 33% | 0.333 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 175.5 | -72.5 | -57.5 | 0 | 0 | 0 | 113.3 | A182 A183 Y184 G190 F295 Q298 L299 | A182-Y186 WeakPolarHBondContact O-CD2 3.33Å; A182-Y186 PolarHBondContact O-N 2.96Å; A183-Y186 PolarHBondContact O-N 3.33Å; Y184-Y186 VanDerWaalsContact C-N 3.3Å; Y184-Y186 PolarHBondContact O-N 2.91Å; Y186-G190 WeakPolarHBondContact O-CA 3.33Å; Y186-G190 PolarHBondContact O-N 2.67Å; Y186-F295 HydrophobicContact CD1-CD1 4.36Å; Y186-F295 HydrophobicContact CD1-CE1 4.34Å; Y186-Q298 HydrophobicContact CD2-CG 4.23Å; Y186-Q298 HydrophobicContact CE1-CB 4.26Å; Y186-Q298 HydrophobicContact CE1-CG 4.02Å; Y186-Q298 HydrophobicContact CE2-CG 3.67Å; Y186-Q298 PolarHBondContact OH-O 3.37Å; Y186-Q298 VanDerWaalsContact OH-O 3.11Å; Y186-L299 HydrophobicContact CE1-CD2 3.86Å; Y186-L299 HydrophobicContact CE1-CG 3.94Å; Y186-L299 WeakPolarHBondContact OH-CD2 3.32Å |
| 187 | M | 94.3 | Very high | 93.7 | Very high | 104 Ų | 104 | 51.7 Ų | 51.7 | 51% | 0.512 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 176.3 | -73.9 | 174.4 | 66.7 | 0 | 0 | 111.4 | F150 A183 Y184 F191 | F150-M187 HydrophobicContact CE2-CB 4.42Å; F150-M187 HydrophobicContact CE2-CE 4.19Å; F150-M187 HydrophobicContact CZ-CB 4.02Å; A183-M187 WeakPolarHBondContact O-CB 3.48Å; A183-M187 VanDerWaalsContact O-CG 3.28Å; A183-M187 WeakPolarHBondContact O-CG 3.39Å; A183-M187 PolarHBondContact O-N 3.03Å; Y184-M187 PolarHBondContact O-N 3.18Å; Y184-M187 VanDerWaalsContact O-N 3.16Å; M187-F191 VanDerWaalsContact O-CB 3.25Å; M187-F191 WeakPolarHBondContact O-CB 3.4Å; M187-F191 PolarHBondContact O-N 2.92Å |
| 188 | Y | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.4 | -48 | 176.4 | 174.3 | -98.8 | 0 | 0 | 0 | 111.8 | L100 S103 L104 F150 F171 Y184 S192 V294 | L100-Y188 HydrophobicContact CB-CE2 4.27Å; L100-Y188 HydrophobicContact CD2-CD1 4.14Å; L100-Y188 HydrophobicContact CD2-CD2 3.68Å; L100-Y188 HydrophobicContact CD2-CE1 3.96Å; L100-Y188 HydrophobicContact CD2-CE2 3.47Å; L100-Y188 VanDerWaalsContact CD2-CE2 3.47Å; L100-Y188 HydrophobicContact CD2-CG 4.01Å; L100-Y188 HydrophobicContact CG-CE2 4.48Å; S103-Y188 WeakPolarHBondContact CB-OH 3.26Å; S103-Y188 PolarHBondContact OG-OH 2.95Å; L104-Y188 HydrophobicContact CB-CE2 4.5Å; F150-Y188 HydrophobicContact CE1-CD2 4.17Å; F171-Y188 HydrophobicContact CZ-CE1 4.44Å; Y184-Y188 PolarHBondContact O-N 3.49Å; Y188-S192 VanDerWaalsContact O-CB 3.26Å; Y188-S192 WeakPolarHBondContact O-CB 3.37Å; Y188-S192 PolarHBondContact O-N 3.43Å; Y188-S192 PolarHBondContact O-OG 3.43Å; Y188-V294 HydrophobicContact CD1-CG2 4.25Å; Y188-V294 HydrophobicContact CE1-CG2 4.21Å |
| 189 | A | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S185 S193 V291 V294 F295 | S185-A189 WeakPolarHBondContact O-CB 3.44Å; S185-A189 PolarHBondContact O-N 3.48Å; A189-S193 WeakPolarHBondContact O-CB 3.26Å; A189-S193 PolarHBondContact O-N 3.42Å; A189-S193 PolarHBondContact O-OG 2.86Å; A189-V291 HydrophobicContact CB-CG1 4.47Å; A189-V294 HydrophobicContact CB-CB 4.02Å; A189-V294 HydrophobicContact CB-CG1 3.88Å; A189-F295 HydrophobicContact CB-CD1 4.18Å; A189-F295 HydrophobicContact CB-CD2 3.81Å; A189-F295 HydrophobicContact CB-CE1 3.9Å; A189-F295 HydrophobicContact CB-CE2 3.5Å; A189-F295 HydrophobicContact CB-CG 4.14Å; A189-F295 HydrophobicContact CB-CZ 3.55Å |
| 190 | G | 96.3 | Very high | 94.7 | Very high | 32 Ų | 32 | 39.9 Ų | 39.9 | 33% | 0.33 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.1 | -44.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y186 S193 F194 | Y186-G190 WeakPolarHBondContact O-CA 3.33Å; Y186-G190 PolarHBondContact O-N 2.67Å; G190-S193 PolarHBondContact O-N 2.92Å; G190-F194 WeakPolarHBondContact O-CB 3.39Å; G190-F194 PolarHBondContact O-N 3.48Å |
| 191 | F | 96.3 | Very high | 95 | Very high | 67 Ų | 67 | 42.7 Ų | 42.7 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.8 | -40.4 | 177.2 | -175.1 | -133 | 0 | 0 | 0 | 111.6 | L104 M187 S193 F194 L195 | L104-F191 HydrophobicContact CD1-CD1 3.66Å; L104-F191 HydrophobicContact CD1-CE1 3.88Å; L104-F191 HydrophobicContact CD2-CD1 3.93Å; L104-F191 HydrophobicContact CD2-CE1 3.92Å; L104-F191 HydrophobicContact CG-CD1 4.25Å; L104-F191 HydrophobicContact CG-CE1 4.12Å; M187-F191 VanDerWaalsContact O-CB 3.25Å; M187-F191 WeakPolarHBondContact O-CB 3.4Å; M187-F191 PolarHBondContact O-N 2.92Å; F191-S193 PolarHBondContact O-N 3.46Å; F191-F194 HydrophobicContact CD2-CD1 4.36Å; F191-F194 HydrophobicContact CE2-CD1 4.4Å; F191-F194 WeakPolarHBondContact O-CB 3.28Å; F191-F194 PolarHBondContact O-N 2.92Å; F191-L195 HydrophobicContact CD1-CD1 4.44Å; F191-L195 HydrophobicContact CE1-CD1 4.11Å; F191-L195 HydrophobicContact CE2-CD1 4.37Å; F191-L195 HydrophobicContact CE2-CD2 4.29Å; F191-L195 HydrophobicContact CE2-CG 4.22Å; F191-L195 HydrophobicContact CZ-CD1 4.07Å; F191-L195 HydrophobicContact CZ-CD2 4.36Å; F191-L195 HydrophobicContact CZ-CG 4.36Å; F191-L195 WeakPolarHBondContact O-CG 3.37Å; F191-L195 PolarHBondContact O-N 2.92Å |
| 192 | S | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 171.7 | -58 | 0 | 0 | 0 | 0 | 111.8 | Y188 F194 L195 I196 | Y188-S192 VanDerWaalsContact O-CB 3.26Å; Y188-S192 WeakPolarHBondContact O-CB 3.37Å; Y188-S192 PolarHBondContact O-N 3.43Å; Y188-S192 PolarHBondContact O-OG 3.43Å; S192-F194 PolarHBondContact O-N 3.44Å; S192-L195 PolarHBondContact O-N 3.26Å; S192-I196 WeakPolarHBondContact O-CB 3.3Å; S192-I196 VanDerWaalsContact O-CG1 3.28Å; S192-I196 WeakPolarHBondContact O-CG1 3.4Å; S192-I196 PolarHBondContact O-N 3.13Å |
| 193 | S | 96.8 | Very high | 95.2 | Very high | 44 Ų | 44 | 41.7 Ų | 41.7 | 31% | 0.308 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.9 | -36 | 174.8 | -74.5 | 0 | 0 | 0 | 0 | 113.5 | A189 G190 F191 I196 L197 V291 F295 | A189-S193 WeakPolarHBondContact O-CB 3.26Å; A189-S193 PolarHBondContact O-N 3.42Å; A189-S193 PolarHBondContact O-OG 2.86Å; G190-S193 PolarHBondContact O-N 2.92Å; F191-S193 PolarHBondContact O-N 3.46Å; S193-I196 PolarHBondContact O-N 3.49Å; S193-L197 VanDerWaalsContact O-CB 3.29Å; S193-L197 WeakPolarHBondContact O-CB 3.28Å; S193-L197 PolarHBondContact O-N 2.91Å; S193-V291 WeakPolarHBondContact OG-CG1 3.33Å; S193-F295 WeakPolarHBondContact OG-CE2 3.45Å |
| 194 | F | 96.9 | Very high | 95.2 | Very high | 130 Ų | 130 | 44 Ų | 44 | 57% | 0.57 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.8 | -46.2 | 174.7 | 174 | -99.3 | 0 | 0 | 0 | 111.5 | G190 F191 S192 I196 L197 A198 | G190-F194 WeakPolarHBondContact O-CB 3.39Å; G190-F194 PolarHBondContact O-N 3.48Å; F191-F194 HydrophobicContact CD2-CD1 4.36Å; F191-F194 HydrophobicContact CE2-CD1 4.4Å; F191-F194 WeakPolarHBondContact O-CB 3.28Å; F191-F194 PolarHBondContact O-N 2.92Å; S192-F194 PolarHBondContact O-N 3.44Å; F194-I196 PolarHBondContact O-N 3.14Å; F194-L197 PolarHBondContact O-N 2.94Å; F194-A198 VanDerWaalsContact O-CB 3.28Å; F194-A198 WeakPolarHBondContact O-CB 3.46Å; F194-A198 PolarHBondContact O-N 3.28Å |
| 195 | L | 96.9 | Very high | 95.2 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.7 | -66 | 169.9 | 0 | 0 | 0 | 111.9 | L104 L107 S108 C111 F191 S192 T199 | L104-L195 HydrophobicContact CD1-CD1 3.68Å; L107-L195 HydrophobicContact CB-CB 4.19Å; L107-L195 HydrophobicContact CB-CD1 3.97Å; S108-L195 WeakPolarHBondContact OG-CD1 3.35Å; C111-L195 HydrophobicContact CB-CD2 4.07Å; F191-L195 HydrophobicContact CD1-CD1 4.44Å; F191-L195 HydrophobicContact CE1-CD1 4.11Å; F191-L195 HydrophobicContact CE2-CD1 4.37Å; F191-L195 HydrophobicContact CE2-CD2 4.29Å; F191-L195 HydrophobicContact CE2-CG 4.22Å; F191-L195 HydrophobicContact CZ-CD1 4.07Å; F191-L195 HydrophobicContact CZ-CD2 4.36Å; F191-L195 HydrophobicContact CZ-CG 4.36Å; F191-L195 WeakPolarHBondContact O-CG 3.37Å; F191-L195 PolarHBondContact O-N 2.92Å; S192-L195 PolarHBondContact O-N 3.26Å; L195-T199 VanDerWaalsContact O-CB 3.26Å; L195-T199 WeakPolarHBondContact O-CB 3.39Å; L195-T199 PolarHBondContact O-N 3.45Å; L195-T199 PolarHBondContact O-OG1 2.72Å |
| 196 | I | 96.4 | Very high | 94.9 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 10% | 0.103 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 173.8 | -77.3 | 168.5 | 0 | 0 | 0 | 111 | L107 S192 S193 F194 T199 V200 L284 I288 V291 | L107-I196 HydrophobicContact CD1-CD1 4.42Å; L107-I196 HydrophobicContact CD1-CG1 4.44Å; L107-I196 HydrophobicContact CD2-CD1 4.37Å; L107-I196 HydrophobicContact CD2-CG1 3.83Å; S192-I196 WeakPolarHBondContact O-CB 3.3Å; S192-I196 VanDerWaalsContact O-CG1 3.28Å; S192-I196 WeakPolarHBondContact O-CG1 3.4Å; S192-I196 PolarHBondContact O-N 3.13Å; S193-I196 PolarHBondContact O-N 3.49Å; F194-I196 PolarHBondContact O-N 3.14Å; I196-T199 WeakPolarHBondContact O-CB 3.34Å; I196-T199 PolarHBondContact O-N 3.5Å; I196-V200 WeakPolarHBondContact O-CG2 3.43Å; I196-V200 PolarHBondContact O-N 3.24Å; I196-L284 HydrophobicContact CB-CD2 4.19Å; I196-L284 HydrophobicContact CG1-CD2 4.13Å; I196-L284 HydrophobicContact CG2-CD2 3.69Å; I196-I288 HydrophobicContact CD1-CG1 4.11Å; I196-I288 HydrophobicContact CG2-CD1 4.46Å; I196-I288 HydrophobicContact CG2-CG1 4.33Å; I196-V291 HydrophobicContact CD1-CG2 4.07Å |
| 197 | L | 96.4 | Very high | 94.7 | Very high | 117 Ų | 117 | 45.4 Ų | 45.4 | 61% | 0.613 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -66 | -43.4 | -179.2 | -180 | 61.1 | 0 | 0 | 0 | 112.1 | S193 F194 V200 L201 | S193-L197 VanDerWaalsContact O-CB 3.29Å; S193-L197 WeakPolarHBondContact O-CB 3.28Å; S193-L197 PolarHBondContact O-N 2.91Å; F194-L197 PolarHBondContact O-N 2.94Å; L197-V200 PolarHBondContact O-N 2.94Å; L197-L201 WeakPolarHBondContact O-CB 3.42Å; L197-L201 PolarHBondContact O-N 3.32Å |
| 198 | A | 96.4 | Very high | 94.4 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 17% | 0.165 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F194 L201 C202 | F194-A198 VanDerWaalsContact O-CB 3.28Å; F194-A198 WeakPolarHBondContact O-CB 3.46Å; F194-A198 PolarHBondContact O-N 3.28Å; A198-L201 PolarHBondContact O-N 2.87Å; A198-C202 WeakPolarHBondContact O-CB 3.36Å; A198-C202 PolarHBondContact O-N 3.42Å; A198-C202 PolarHBondContact O-SG 3.42Å |
| 199 | T | 95.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.5 | -51.1 | 173.1 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | I110 C111 L195 I196 L201 C202 N203 | I110-T199 HydrophobicContact CG2-CG2 3.61Å; C111-T199 WeakPolarHBondContact CA-OG1 3.43Å; C111-T199 WeakPolarHBondContact CB-OG1 3.4Å; L195-T199 VanDerWaalsContact O-CB 3.26Å; L195-T199 WeakPolarHBondContact O-CB 3.39Å; L195-T199 PolarHBondContact O-N 3.45Å; L195-T199 PolarHBondContact O-OG1 2.72Å; I196-T199 WeakPolarHBondContact O-CB 3.34Å; I196-T199 PolarHBondContact O-N 3.5Å; T199-L201 PolarHBondContact O-N 2.91Å; T199-C202 PolarHBondContact O-N 2.97Å; T199-N203 VanDerWaalsContact O-CB 3.29Å; T199-N203 WeakPolarHBondContact O-CB 3.21Å; T199-N203 PolarHBondContact O-N 3.48Å; T199-N203 PolarHBondContact O-ND2 3.32Å |
| 200 | V | 95.6 | Very high | 93.3 | Very high | 59 Ų | 59 | 44.3 Ų | 44.3 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 178.4 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | I196 L197 N203 V204 L284 | I196-V200 WeakPolarHBondContact O-CG2 3.43Å; I196-V200 PolarHBondContact O-N 3.24Å; L197-V200 PolarHBondContact O-N 2.94Å; V200-N203 PolarHBondContact O-N 3.43Å; V200-V204 HydrophobicContact CG1-CG2 4.41Å; V200-V204 WeakPolarHBondContact O-CB 3.27Å; V200-V204 VanDerWaalsContact O-CG2 3.32Å; V200-V204 WeakPolarHBondContact O-CG2 3.22Å; V200-V204 PolarHBondContact O-N 3.49Å; V200-L284 HydrophobicContact CG2-CD1 3.66Å; V200-L284 HydrophobicContact CG2-CD2 3.92Å; V200-L284 HydrophobicContact CG2-CG 4.49Å |
| 201 | L | 95.5 | Very high | 92.7 | Very high | 100 Ų | 100 | 48 Ų | 48 | 52% | 0.524 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.6 | -49.5 | 179.3 | 178.6 | 59.7 | 0 | 0 | 0 | 111.9 | L197 A198 T199 N203 V204 L205 | L197-L201 WeakPolarHBondContact O-CB 3.42Å; L197-L201 PolarHBondContact O-N 3.32Å; A198-L201 PolarHBondContact O-N 2.87Å; T199-L201 PolarHBondContact O-N 2.91Å; L201-N203 VanDerWaalsContact C-N 3.34Å; L201-N203 PolarHBondContact O-N 3.48Å; L201-V204 PolarHBondContact O-N 3.38Å; L201-L205 HydrophobicContact CD1-CD1 4.09Å; L201-L205 HydrophobicContact CD1-CG 4.3Å; L201-L205 HydrophobicContact CG-CD1 4.06Å; L201-L205 VanDerWaalsContact O-CG 3.29Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 3.47Å |
| 202 | C | 94.8 | Very high | 92.1 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 11% | 0.108 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 177.9 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | A198 T199 L205 V206 | A198-C202 WeakPolarHBondContact O-CB 3.36Å; A198-C202 PolarHBondContact O-N 3.42Å; A198-C202 PolarHBondContact O-SG 3.42Å; T199-C202 PolarHBondContact O-N 2.97Å; C202-L205 PolarHBondContact O-N 2.94Å; C202-V206 WeakPolarHBondContact O-CB 3.26Å; C202-V206 VanDerWaalsContact O-CG2 3.3Å; C202-V206 WeakPolarHBondContact O-CG2 3.33Å; C202-V206 PolarHBondContact O-N 3.29Å |
| 203 | N | 92.1 | Very high | 91.2 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 177.3 | -72.6 | -20.2 | 0 | 0 | 0 | 112.5 | S114 T199 V200 L201 V206 C207 L276 S280 | S114-N203 WeakPolarHBondContact CB-OD1 3.3Å; S114-N203 PolarHBondContact OG-ND2 2.81Å; S114-N203 PolarHBondContact OG-OD1 3.48Å; T199-N203 VanDerWaalsContact O-CB 3.29Å; T199-N203 WeakPolarHBondContact O-CB 3.21Å; T199-N203 PolarHBondContact O-N 3.48Å; T199-N203 PolarHBondContact O-ND2 3.32Å; V200-N203 PolarHBondContact O-N 3.43Å; L201-N203 VanDerWaalsContact C-N 3.34Å; L201-N203 PolarHBondContact O-N 3.48Å; N203-V206 PolarHBondContact O-N 2.91Å; N203-C207 WeakPolarHBondContact O-CB 3.49Å; N203-C207 PolarHBondContact O-N 2.91Å; N203-C207 PolarHBondContact O-SG 3Å; N203-C207 VanDerWaalsContact O-SG 3.33Å; N203-L276 WeakPolarHBondContact OD1-CD2 3.49Å; N203-S280 WeakPolarHBondContact ND2-CB 3.45Å; N203-S280 PolarHBondContact ND2-OG 3.16Å |
| 204 | V | 92.7 | Very high | 90.2 | Very high | 94 Ų | 94 | 61 Ų | 61 | 57% | 0.57 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.7 | -42.2 | 173.6 | 168.4 | 0 | 0 | 0 | 0 | 111.2 | V200 L201 C207 G208 | V200-V204 HydrophobicContact CG1-CG2 4.41Å; V200-V204 WeakPolarHBondContact O-CB 3.27Å; V200-V204 VanDerWaalsContact O-CG2 3.32Å; V200-V204 WeakPolarHBondContact O-CG2 3.22Å; V200-V204 PolarHBondContact O-N 3.49Å; L201-V204 PolarHBondContact O-N 3.38Å; V204-C207 PolarHBondContact O-N 3.34Å; V204-G208 PolarHBondContact O-N 3.46Å |
| 205 | L | 91.9 | Very high | 89.5 | Confident | 75 Ų | 75 | 63.4 Ų | 63.4 | 39% | 0.393 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 176.5 | -69.1 | 169.3 | 0 | 0 | 0 | 112.1 | Y118 L201 C202 G208 A209 | Y118-L205 HydrophobicContact CD2-CB 3.75Å; Y118-L205 HydrophobicContact CD2-CD1 4.2Å; Y118-L205 HydrophobicContact CE2-CB 3.76Å; Y118-L205 HydrophobicContact CE2-CD1 3.76Å; Y118-L205 HydrophobicContact CE2-CG 4.31Å; L201-L205 HydrophobicContact CD1-CD1 4.09Å; L201-L205 HydrophobicContact CD1-CG 4.3Å; L201-L205 HydrophobicContact CG-CD1 4.06Å; L201-L205 VanDerWaalsContact O-CG 3.29Å; L201-L205 WeakPolarHBondContact O-CG 3.44Å; L201-L205 PolarHBondContact O-N 3.47Å; C202-L205 PolarHBondContact O-N 2.94Å; L205-G208 PolarHBondContact O-N 2.95Å; L205-A209 WeakPolarHBondContact O-CB 3.46Å; L205-A209 PolarHBondContact O-N 3.01Å |
| 206 | V | 89.1 | Confident | 88.7 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 173 | 162.1 | 0 | 0 | 0 | 0 | 111.3 | R117 I121 C202 N203 G208 A209 L210 V273 | R117-V206 HydrophobicContact CB-CG2 4.48Å; I121-V206 HydrophobicContact CD1-CG1 3.84Å; I121-V206 HydrophobicContact CD1-CG2 4.37Å; C202-V206 WeakPolarHBondContact O-CB 3.26Å; C202-V206 VanDerWaalsContact O-CG2 3.3Å; C202-V206 WeakPolarHBondContact O-CG2 3.33Å; C202-V206 PolarHBondContact O-N 3.29Å; N203-V206 PolarHBondContact O-N 2.91Å; V206-G208 PolarHBondContact O-N 3.21Å; V206-A209 PolarHBondContact O-N 3.47Å; V206-L210 PolarHBondContact O-N 2.9Å; V206-V273 HydrophobicContact CG1-CB 4.49Å; V206-V273 HydrophobicContact CG1-CG1 3.41Å; V206-V273 VanDerWaalsContact CG1-CG1 3.41Å; V206-V273 HydrophobicContact CG1-CG2 4.22Å |
| 207 | C | 87.7 | Confident | 87.5 | Confident | 46 Ų | 46 | 71.1 Ų | 71.1 | 31% | 0.311 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 173.9 | -76.4 | 0 | 0 | 0 | 0 | 111.9 | N203 V204 A209 L210 L211 I277 | N203-C207 WeakPolarHBondContact O-CB 3.49Å; N203-C207 PolarHBondContact O-N 2.91Å; N203-C207 PolarHBondContact O-SG 3Å; N203-C207 VanDerWaalsContact O-SG 3.33Å; V204-C207 PolarHBondContact O-N 3.34Å; C207-A209 PolarHBondContact O-N 3.12Å; C207-L210 PolarHBondContact O-N 3.22Å; C207-L211 WeakPolarHBondContact O-CB 3.26Å; C207-L211 VanDerWaalsContact O-CG 3.28Å; C207-L211 WeakPolarHBondContact O-CG 3.36Å; C207-L211 PolarHBondContact O-N 2.96Å; C207-I277 WeakPolarHBondContact SG-CD1 3.33Å |
| 208 | G | 88.1 | Confident | 86.3 | Confident | 28 Ų | 28 | 70.3 Ų | 70.3 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V204 L205 V206 L211 R212 | V204-G208 PolarHBondContact O-N 3.46Å; L205-G208 PolarHBondContact O-N 2.95Å; V206-G208 PolarHBondContact O-N 3.21Å; G208-L211 PolarHBondContact O-N 3.45Å; G208-R212 VanDerWaalsContact O-CG 3.26Å; G208-R212 WeakPolarHBondContact O-CG 3.48Å; G208-R212 PolarHBondContact O-N 2.85Å |
| 209 | A | 85.1 | Confident | 85.2 | Confident | 6 Ų | 6 | 78.3 Ų | 78.3 | 5% | 0.05 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65 | -46.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I121 N122 L205 V206 C207 L211 R212 M213 | I121-A209 HydrophobicContact CG2-CB 3.61Å; N122-A209 WeakPolarHBondContact OD1-CB 3.31Å; L205-A209 WeakPolarHBondContact O-CB 3.46Å; L205-A209 PolarHBondContact O-N 3.01Å; V206-A209 PolarHBondContact O-N 3.47Å; C207-A209 PolarHBondContact O-N 3.12Å; A209-L211 PolarHBondContact O-N 3.48Å; A209-R212 WeakPolarHBondContact O-CB 3.43Å; A209-R212 PolarHBondContact O-N 2.92Å; A209-M213 WeakPolarHBondContact O-CG 3.38Å; A209-M213 PolarHBondContact O-N 3.5Å |
| 210 | L | 82 | Confident | 83.9 | Confident | 47 Ų | 47 | 87.3 Ų | 87.3 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 175.2 | -73.4 | -168.8 | 0 | 0 | 0 | 112.6 | I121 V206 C207 R212 M213 H214 V273 | I121-L210 HydrophobicContact CD1-CD2 4.39Å; V206-L210 PolarHBondContact O-N 2.9Å; C207-L210 PolarHBondContact O-N 3.22Å; L210-R212 VanDerWaalsContact C-N 3.35Å; L210-R212 PolarHBondContact O-N 3.24Å; L210-M213 PolarHBondContact O-N 3.4Å; L210-H214 WeakPolarHBondContact O-CB 3.27Å; L210-H214 PolarHBondContact O-N 3.21Å; L210-V273 HydrophobicContact CD1-CB 3.87Å; L210-V273 HydrophobicContact CD1-CG1 3.49Å; L210-V273 VanDerWaalsContact CD1-CG1 3.49Å; L210-V273 HydrophobicContact CD1-CG2 4.19Å |
| 211 | L | 83.6 | Confident | 82.4 | Confident | 109 Ų | 109 | 87.3 Ų | 87.3 | 57% | 0.571 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.5 | -36.7 | 176.6 | -72.5 | 171.2 | 0 | 0 | 0 | 112.1 | C207 G208 A209 R215 | C207-L211 WeakPolarHBondContact O-CB 3.26Å; C207-L211 VanDerWaalsContact O-CG 3.28Å; C207-L211 WeakPolarHBondContact O-CG 3.36Å; C207-L211 PolarHBondContact O-N 2.96Å; G208-L211 PolarHBondContact O-N 3.45Å; A209-L211 PolarHBondContact O-N 3.48Å; L211-R215 WeakPolarHBondContact O-CB 3.31Å; L211-R215 VanDerWaalsContact O-CG 3.28Å; L211-R215 WeakPolarHBondContact O-CG 3.4Å; L211-R215 PolarHBondContact O-N 3.14Å |
| 212 | R | 84.4 | Confident | 80.7 | Confident | 179 Ų | 179 | 85.7 Ų | 85.7 | 68% | 0.675 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.3 | -49.4 | 171.4 | -71.9 | 166.9 | -178.7 | -175.5 | 0.8 | 111 | G208 A209 L210 H214 R215 Q216 | G208-R212 VanDerWaalsContact O-CG 3.26Å; G208-R212 WeakPolarHBondContact O-CG 3.48Å; G208-R212 PolarHBondContact O-N 2.85Å; A209-R212 WeakPolarHBondContact O-CB 3.43Å; A209-R212 PolarHBondContact O-N 2.92Å; L210-R212 VanDerWaalsContact C-N 3.35Å; L210-R212 PolarHBondContact O-N 3.24Å; R212-H214 PolarHBondContact O-N 2.88Å; R212-R215 PolarHBondContact O-N 3.36Å; R212-Q216 WeakPolarHBondContact O-CG 3.33Å; R212-Q216 PolarHBondContact O-N 3.29Å |
| 213 | M | 76.8 | Confident | 78.8 | Confident | 93 Ų | 93 | 90.3 Ų | 90.3 | 46% | 0.458 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 177.6 | -69.5 | -177.1 | -177.2 | 0 | 0 | 112.2 | I121 A209 L210 Q216 F217 | I121-M213 HydrophobicContact CG2-CE 3.77Å; I121-M213 HydrophobicContact CG2-SD 4.39Å; I121-M213 WeakPolarHBondContact O-CE 3.44Å; A209-M213 WeakPolarHBondContact O-CG 3.38Å; A209-M213 PolarHBondContact O-N 3.5Å; L210-M213 PolarHBondContact O-N 3.4Å; M213-Q216 PolarHBondContact O-N 2.9Å; M213-F217 WeakPolarHBondContact O-CB 3.37Å; M213-F217 PolarHBondContact O-N 3.29Å |
| 214 | H | 76.8 | Confident | 77.1 | Confident | 112 Ų | 112 | 90.7 Ų | 90.7 | 52% | 0.519 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 177.1 | -172.6 | -99.5 | 0 | 0 | 0 | 112 | L210 R212 Q216 F217 M218 | L210-H214 WeakPolarHBondContact O-CB 3.27Å; L210-H214 PolarHBondContact O-N 3.21Å; R212-H214 PolarHBondContact O-N 2.88Å; H214-Q216 VanDerWaalsContact C-N 3.33Å; H214-Q216 PolarHBondContact O-N 3.22Å; H214-F217 PolarHBondContact O-N 3.46Å; H214-M218 WeakPolarHBondContact O-CG 3.25Å; H214-M218 PolarHBondContact O-N 2.97Å |
| 215 | R | 82.5 | Confident | 75.3 | Confident | 182 Ų | 182 | 90.1 Ų | 90.1 | 69% | 0.687 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.9 | -40.4 | 173.9 | -75.3 | 175.5 | 177.1 | -168.1 | 0 | 111.9 | L211 R212 R219 | L211-R215 WeakPolarHBondContact O-CB 3.31Å; L211-R215 VanDerWaalsContact O-CG 3.28Å; L211-R215 WeakPolarHBondContact O-CG 3.4Å; L211-R215 PolarHBondContact O-N 3.14Å; R212-R215 PolarHBondContact O-N 3.36Å; R215-R219 WeakPolarHBondContact O-CG 3.14Å; R215-R219 PolarHBondContact O-N 3.41Å; R215-R219 VanDerWaalsContact O-N 3.12Å |
| 216 | Q | 78.6 | Confident | 73.3 | Confident | 109 Ų | 109 | 92.7 Ų | 92.7 | 51% | 0.509 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 174.3 | -73 | 178.6 | -1.4 | 0 | 0 | 112.6 | R212 M213 H214 R219 R220 | R212-Q216 WeakPolarHBondContact O-CG 3.33Å; R212-Q216 PolarHBondContact O-N 3.29Å; M213-Q216 PolarHBondContact O-N 2.9Å; H214-Q216 VanDerWaalsContact C-N 3.33Å; H214-Q216 PolarHBondContact O-N 3.22Å; Q216-R219 PolarHBondContact O-N 3.44Å; Q216-R220 WeakPolarHBondContact O-CG 3.4Å; Q216-R220 PolarHBondContact O-N 2.91Å |
| 217 | F | 71.3 | Confident | 71.6 | Confident | 83 Ų | 83 | 99.4 Ų | 99.4 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 175.9 | -178.9 | -93.4 | 0 | 0 | 0 | 111.4 | M213 H214 R219 R220 T221 | M213-F217 WeakPolarHBondContact O-CB 3.37Å; M213-F217 PolarHBondContact O-N 3.29Å; H214-F217 PolarHBondContact O-N 3.46Å; F217-R219 PolarHBondContact O-N 3.47Å; F217-R220 PolarHBondContact O-N 2.97Å; F217-R220 VanDerWaalsContact O-N 3.12Å; F217-T221 HydrophobicContact CD1-CG2 4.28Å; F217-T221 HydrophobicContact CE1-CG2 3.73Å; F217-T221 HydrophobicContact CZ-CG2 3.86Å; F217-T221 PolarHBondContact O-N 3.27Å; F217-T221 PolarHBondContact O-OG1 3.29Å |
| 218 | M | 72.7 | Confident | 69.8 | Low | 100 Ų | 100 | 103.4 Ų | 103.4 | 49% | 0.493 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 177.7 | -71.7 | -60.3 | -63.9 | 0 | 0 | 112.4 | H214 R220 T221 S222 | H214-M218 WeakPolarHBondContact O-CG 3.25Å; H214-M218 PolarHBondContact O-N 2.97Å; M218-R220 VanDerWaalsContact C-N 3.33Å; M218-R220 PolarHBondContact O-N 3.37Å; M218-T221 WeakPolarHBondContact CA-OG1 3.37Å; M218-T221 PolarHBondContact O-N 3.27Å; M218-T221 PolarHBondContact O-OG1 3.02Å; M218-S222 PolarHBondContact O-N 3.16Å; M218-S222 VanDerWaalsContact O-N 3.11Å |
| 219 | R | 72.4 | Confident | 67.9 | Low | 188 Ų | 188 | 107.9 Ų | 107.9 | 71% | 0.709 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.7 | -37.6 | 173.7 | -74.2 | 176.6 | 175.9 | -169.6 | -2.2 | 112.9 | R215 Q216 F217 S222 L223 | R215-R219 WeakPolarHBondContact O-CG 3.14Å; R215-R219 PolarHBondContact O-N 3.41Å; R215-R219 VanDerWaalsContact O-N 3.12Å; Q216-R219 PolarHBondContact O-N 3.44Å; F217-R219 PolarHBondContact O-N 3.47Å; R219-S222 PolarHBondContact O-OG 2.83Å; R219-S222 VanDerWaalsContact O-OG 3.05Å; R219-L223 PolarHBondContact O-N 3.16Å |
| 220 | R | 67.6 | Low | 66.4 | Low | 191 Ų | 191 | 110.6 Ų | 110.6 | 72% | 0.721 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.5 | -32.8 | 175.2 | -74.2 | 177 | 175.6 | 174.2 | -0.2 | 112.4 | Q216 F217 M218 G224 | Q216-R220 WeakPolarHBondContact O-CG 3.4Å; Q216-R220 PolarHBondContact O-N 2.91Å; F217-R220 PolarHBondContact O-N 2.97Å; F217-R220 VanDerWaalsContact O-N 3.12Å; M218-R220 VanDerWaalsContact C-N 3.33Å; M218-R220 PolarHBondContact O-N 3.37Å; R220-G224 PolarHBondContact O-N 3.27Å |
| 221 | T | 64.6 | Low | 65.1 | Low | 60 Ų | 60 | 110.9 Ų | 110.9 | 37% | 0.368 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72.2 | -36.8 | 176.2 | 44.9 | 0 | 0 | 0 | 0 | 113.5 | F217 M218 G224 T225 | F217-T221 HydrophobicContact CD1-CG2 4.28Å; F217-T221 HydrophobicContact CE1-CG2 3.73Å; F217-T221 HydrophobicContact CZ-CG2 3.86Å; F217-T221 PolarHBondContact O-N 3.27Å; F217-T221 PolarHBondContact O-OG1 3.29Å; M218-T221 WeakPolarHBondContact CA-OG1 3.37Å; M218-T221 PolarHBondContact O-N 3.27Å; M218-T221 PolarHBondContact O-OG1 3.02Å; T221-G224 PolarHBondContact O-N 3.01Å; T221-T225 PolarHBondContact O-N 3.27Å; T221-T225 PolarHBondContact O-OG1 3.41Å |
| 222 | S | 59.9 | Low | 63.7 | Low | 66 Ų | 66 | 108.2 Ų | 108.2 | 46% | 0.462 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.3 | -42.2 | 177.8 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | M218 R219 G224 T225 E226 | M218-S222 PolarHBondContact O-N 3.16Å; M218-S222 VanDerWaalsContact O-N 3.11Å; R219-S222 PolarHBondContact O-OG 2.83Å; R219-S222 VanDerWaalsContact O-OG 3.05Å; S222-G224 VanDerWaalsContact C-N 3.27Å; S222-G224 PolarHBondContact O-N 3.12Å; S222-T225 PolarHBondContact O-N 3.01Å; S222-T225 PolarHBondContact O-OG1 2.9Å; S222-E226 PolarHBondContact O-N 3.03Å |
| 223 | L | 55.2 | Low | 62.2 | Low | 112 Ų | 112 | 104.3 Ų | 104.3 | 59% | 0.586 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63 | -33.3 | 173.6 | -79.3 | 162.7 | 0 | 0 | 0 | 112.6 | R219 E226 Q227 | R219-L223 PolarHBondContact O-N 3.16Å; L223-E226 PolarHBondContact O-N 3.31Å; L223-Q227 WeakPolarHBondContact O-CG 3.27Å; L223-Q227 PolarHBondContact O-N 3.11Å |
| 224 | G | 56 | Low | 61 | Low | 25 Ų | 25 | 102.3 Ų | 102.3 | 26% | 0.258 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -35.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R220 T221 S222 H228 | R220-G224 PolarHBondContact O-N 3.27Å; T221-G224 PolarHBondContact O-N 3.01Å; S222-G224 VanDerWaalsContact C-N 3.27Å; S222-G224 PolarHBondContact O-N 3.12Å; G224-H228 PolarHBondContact O-CD2 2.99Å; G224-H228 VanDerWaalsContact O-CD2 3.25Å; G224-H228 PolarHBondContact O-N 3.25Å; G224-H228 VanDerWaalsContact O-N 3.16Å |
| 225 | T | 55.9 | Low | 60 | Low | 81 Ų | 81 | 101 Ų | 101 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.5 | -41.3 | 173.7 | 27.8 | 0 | 0 | 0 | 0 | 112.4 | T221 S222 H228 H229 | T221-T225 PolarHBondContact O-N 3.27Å; T221-T225 PolarHBondContact O-OG1 3.41Å; S222-T225 PolarHBondContact O-N 3.01Å; S222-T225 PolarHBondContact O-OG1 2.9Å; T225-H228 PolarHBondContact O-N 2.94Å; T225-H229 PolarHBondContact O-N 2.99Å; T225-H229 VanDerWaalsContact O-N 3.11Å |
| 226 | E | 50.2 | Low | 58.6 | Low | 129 Ų | 129 | 97.5 Ų | 97.5 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | 176 | -66.4 | -62 | 97.1 | 0 | 0 | 111.4 | S222 L223 H228 H229 A230 | S222-E226 PolarHBondContact O-N 3.03Å; L223-E226 PolarHBondContact O-N 3.31Å; E226-H228 VanDerWaalsContact C-N 3.32Å; E226-H228 PolarHBondContact O-N 3.22Å; E226-H229 PolarHBondContact O-N 3.43Å; E226-A230 WeakPolarHBondContact O-CB 3.36Å; E226-A230 PolarHBondContact O-N 2.95Å |
| 227 | Q | 51.9 | Low | 57.3 | Low | 141 Ų | 141 | 96.4 Ų | 96.4 | 66% | 0.659 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -36 | 178.2 | -73.6 | -176.3 | -48.1 | 0 | 0 | 112.9 | L223 A231 | L223-Q227 WeakPolarHBondContact O-CG 3.27Å; L223-Q227 PolarHBondContact O-N 3.11Å; Q227-A231 WeakPolarHBondContact O-CB 3.37Å; Q227-A231 PolarHBondContact O-N 2.68Å |
| 228 | H | 49.9 | Very low | 56.3 | Low | 131 Ų | 131 | 97 Ų | 97 | 61% | 0.606 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.4 | -35.2 | 175.4 | -89.3 | -64 | 0 | 0 | 0 | 113 | G224 T225 E226 A232 | G224-H228 PolarHBondContact O-CD2 2.99Å; G224-H228 VanDerWaalsContact O-CD2 3.25Å; G224-H228 PolarHBondContact O-N 3.25Å; G224-H228 VanDerWaalsContact O-N 3.16Å; T225-H228 PolarHBondContact O-N 2.94Å; E226-H228 VanDerWaalsContact C-N 3.32Å; E226-H228 PolarHBondContact O-N 3.22Å; H228-A232 PolarHBondContact O-N 3.09Å |
| 229 | H | 49.4 | Very low | 55.3 | Low | 121 Ų | 121 | 98.1 Ų | 98.1 | 56% | 0.56 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -73.3 | -46.3 | 173 | -80.8 | -50.4 | 0 | 0 | 0 | 112.1 | T225 E226 A231 A232 T233 | T225-H229 PolarHBondContact O-N 2.99Å; T225-H229 VanDerWaalsContact O-N 3.11Å; E226-H229 PolarHBondContact O-N 3.43Å; H229-A231 VanDerWaalsContact C-N 3.32Å; H229-A231 PolarHBondContact O-N 3.35Å; H229-A232 WeakPolarHBondContact O-CB 3.5Å; H229-A232 PolarHBondContact O-N 3.48Å; H229-A232 VanDerWaalsContact O-N 3.13Å; H229-T233 PolarHBondContact O-N 3.45Å; H229-T233 PolarHBondContact O-OG1 2.94Å; H229-T233 VanDerWaalsContact O-OG1 3.11Å |
| 230 | A | 52.4 | Low | 54.2 | Low | 63 Ų | 63 | 94.4 Ų | 94.4 | 52% | 0.521 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.9 | -41.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E226 T233 A234 | E226-A230 WeakPolarHBondContact O-CB 3.36Å; E226-A230 PolarHBondContact O-N 2.95Å; A230-T233 PolarHBondContact O-N 3.35Å; A230-A234 WeakPolarHBondContact O-CB 3.35Å; A230-A234 PolarHBondContact O-N 3.35Å |
| 231 | A | 54.8 | Low | 53.5 | Low | 54 Ų | 54 | 96.1 Ų | 96.1 | 45% | 0.446 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.9 | -38.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q227 H229 A234 V235 | Q227-A231 WeakPolarHBondContact O-CB 3.37Å; Q227-A231 PolarHBondContact O-N 2.68Å; H229-A231 VanDerWaalsContact C-N 3.32Å; H229-A231 PolarHBondContact O-N 3.35Å; A231-A234 PolarHBondContact O-N 3.5Å; A231-V235 WeakPolarHBondContact O-CG2 3.21Å; A231-V235 PolarHBondContact O-N 2.95Å |
| 232 | A | 54.3 | Low | 52.6 | Low | 53 Ų | 53 | 97.2 Ų | 97.2 | 44% | 0.438 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.5 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H228 H229 A234 V235 T236 | H228-A232 PolarHBondContact O-N 3.09Å; H229-A232 WeakPolarHBondContact O-CB 3.5Å; H229-A232 PolarHBondContact O-N 3.48Å; H229-A232 VanDerWaalsContact O-N 3.13Å; A232-A234 PolarHBondContact O-N 3.47Å; A232-V235 PolarHBondContact O-N 3.23Å; A232-T236 PolarHBondContact O-N 3.36Å; A232-T236 VanDerWaalsContact O-N 3.16Å; A232-T236 PolarHBondContact O-OG1 2.9Å |
| 233 | T | 53.3 | Low | 51.8 | Low | 97 Ų | 97 | 102.2 Ų | 102.2 | 60% | 0.595 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.3 | -40.7 | 175.8 | -49.9 | 0 | 0 | 0 | 0 | 111.9 | H229 A230 T236 S237 | H229-T233 PolarHBondContact O-N 3.45Å; H229-T233 PolarHBondContact O-OG1 2.94Å; H229-T233 VanDerWaalsContact O-OG1 3.11Å; A230-T233 PolarHBondContact O-N 3.35Å; T233-T236 WeakPolarHBondContact O-CB 3.37Å; T233-T236 PolarHBondContact O-N 3.4Å; T233-S237 PolarHBondContact O-N 2.86Å |
| 234 | A | 52.4 | Low | 51.4 | Low | 51 Ų | 51 | 103.3 Ų | 103.3 | 42% | 0.421 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.8 | -36.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A230 A231 A232 T236 S237 V238 | A230-A234 WeakPolarHBondContact O-CB 3.35Å; A230-A234 PolarHBondContact O-N 3.35Å; A231-A234 PolarHBondContact O-N 3.5Å; A232-A234 PolarHBondContact O-N 3.47Å; A234-T236 VanDerWaalsContact C-N 3.27Å; A234-T236 PolarHBondContact O-N 2.91Å; A234-S237 PolarHBondContact O-N 3.33Å; A234-S237 PolarHBondContact O-OG 2.91Å; A234-S237 VanDerWaalsContact O-OG 3.12Å; A234-V238 WeakPolarHBondContact O-CG2 3.2Å |
| 235 | V | 54.8 | Low | 50.7 | Low | 85 Ų | 85 | 106.1 Ų | 106.1 | 52% | 0.515 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.3 | -33.3 | 172.4 | 170 | 0 | 0 | 0 | 0 | 111.2 | A231 A232 S237 | A231-V235 WeakPolarHBondContact O-CG2 3.21Å; A231-V235 PolarHBondContact O-N 2.95Å; A232-V235 PolarHBondContact O-N 3.23Å; V235-S237 PolarHBondContact O-N 3.14Å |
| 236 | T | 53.2 | Low | 50.2 | Low | 107 Ų | 107 | 106.9 Ų | 106.9 | 66% | 0.656 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.6 | -31.1 | 178.4 | -52.2 | 0 | 0 | 0 | 0 | 113.1 | A232 T233 A234 | A232-T236 PolarHBondContact O-N 3.36Å; A232-T236 VanDerWaalsContact O-N 3.16Å; A232-T236 PolarHBondContact O-OG1 2.9Å; T233-T236 WeakPolarHBondContact O-CB 3.37Å; T233-T236 PolarHBondContact O-N 3.4Å; A234-T236 VanDerWaalsContact C-N 3.27Å; A234-T236 PolarHBondContact O-N 2.91Å |
| 237 | S | 50.5 | Low | 50 | Low | 86 Ų | 86 | 106.1 Ų | 106.1 | 60% | 0.601 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -84.4 | -17.2 | -178 | 59.5 | 0 | 0 | 0 | 0 | 115.1 | T233 A234 V235 | T233-S237 PolarHBondContact O-N 2.86Å; A234-S237 PolarHBondContact O-N 3.33Å; A234-S237 PolarHBondContact O-OG 2.91Å; A234-S237 VanDerWaalsContact O-OG 3.12Å; V235-S237 PolarHBondContact O-N 3.14Å |
| 238 | V | 50.7 | Low | 49.9 | Very low | 96 Ų | 96 | 104.5 Ų | 104.5 | 58% | 0.582 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -79.9 | -22.3 | -179.2 | 172.9 | 0 | 0 | 0 | 0 | 113 | A234 S240 R241 | A234-V238 WeakPolarHBondContact O-CG2 3.2Å; V238-S240 PolarHBondContact O-N 2.99Å; V238-R241 PolarHBondContact O-N 2.88Å |
| 239 | V | 51.9 | Low | 49.8 | Very low | 123 Ų | 123 | 101.8 Ų | 101.8 | 75% | 0.745 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -21.5 | -177 | 178 | 0 | 0 | 0 | 0 | 113.4 | R241 | V239-R241 PolarHBondContact O-N 3.48Š|
| 240 | S | 50.3 | Low | 49.8 | Very low | 111 Ų | 111 | 103.3 Ų | 103.3 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 6.6 | -177.6 | -55.9 | 0 | 0 | 0 | 0 | 115.8 | V238 | V238-S240 PolarHBondContact O-N 2.99Š|
| 241 | R | 51.2 | Low | 49.7 | Very low | 227 Ų | 227 | 103.6 Ų | 103.6 | 86% | 0.857 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -134.2 | 109.1 | 171.9 | -79.6 | -173.9 | 167.2 | 141.6 | -2.2 | 111.8 | V238 V239 H243 | V238-R241 PolarHBondContact O-N 2.88Å; V239-R241 PolarHBondContact O-N 3.48Å; R241-H243 PolarHBondContact O-N 3.41Å |
| 242 | G | 47.3 | Very low | 49.8 | Very low | 83 Ų | 83 | 110.3 Ų | 110.3 | 86% | 0.856 | 69% | 0.687 | S | S | * | * | trans | -74.6 | 80.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 243 | H | 43.1 | Very low | 49.8 | Very low | 171 Ų | 171 | 114.4 Ų | 114.4 | 79% | 0.792 | 70% | 0.702 | S | S | * | * | trans | -130 | 147.1 | 160 | -81.1 | -29.8 | 0 | 0 | 0 | 111 | R241 A245 | R241-H243 PolarHBondContact O-N 3.41Å; H243-A245 VanDerWaalsContact C-N 3.29Å; H243-A245 PolarHBondContact O-N 2.94Å | ||
| 244 | P | 46 | Very low | 49.9 | Very low | 135 Ų | 135 | 113 Ų | 113 | 88% | 0.877 | 70% | 0.695 | S | S | * | * | trans | -76.5 | 76.7 | -177.8 | 32.4 | -35.8 | 0 | 0 | 0 | 111.4 | ||||
| 245 | A | 42.4 | Very low | 50.1 | Low | 83 Ų | 83 | 113.9 Ų | 113.9 | 69% | 0.686 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 142.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | H243 | H243-A245 VanDerWaalsContact C-N 3.29Å; H243-A245 PolarHBondContact O-N 2.94Å |
| 246 | A | 44.9 | Very low | 50.1 | Low | 98 Ų | 98 | 115.4 Ų | 115.4 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 145.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 247 | S | 44.7 | Very low | 50.2 | Low | 113 Ų | 113 | 119.2 Ų | 119.2 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 130.6 | -175 | -51.3 | 0 | 0 | 0 | 0 | 112.6 | G249 | S247-G249 PolarHBondContact O-N 3.31Å; S247-G249 VanDerWaalsContact O-N 3.12Å |
| 248 | P | 49.8 | Very low | 50.3 | Low | 107 Ų | 107 | 124.1 Ų | 124.1 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 119.8 | 171.2 | -23.4 | 33.5 | 0 | 0 | 0 | 109.9 | L250 | P248-L250 PolarHBondContact O-N 3.12Š|
| 249 | G | 47.7 | Very low | 50.5 | Low | 74 Ų | 74 | 128.5 Ų | 128.5 | 76% | 0.763 | 71% | 0.707 | S | S | * | * | trans | -60.6 | 105.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S247 | S247-G249 PolarHBondContact O-N 3.31Å; S247-G249 VanDerWaalsContact O-N 3.12Å | ||
| 250 | L | 49.8 | Very low | 50.6 | Low | 153 Ų | 153 | 129.9 Ų | 129.9 | 80% | 0.801 | 70% | 0.698 | S | S | * | * | trans | -51.8 | 125.8 | 173.7 | -172.2 | 75 | 0 | 0 | 0 | 108.6 | P248 R252 | P248-L250 PolarHBondContact O-N 3.12Å; L250-R252 PolarHBondContact O-N 2.96Å | ||
| 251 | P | 51.7 | Low | 50.6 | Low | 69 Ų | 69 | 127 Ų | 127 | 45% | 0.448 | 68% | 0.679 | S | S | . | * | trans | -58.3 | 115.1 | -175.4 | -22.1 | 31.2 | 0 | 0 | 0 | 109.3 | L253 F256 | P251-L253 PolarHBondContact O-N 2.88Å; P251-F256 HydrophobicContact CB-CD2 4.47Å; P251-F256 HydrophobicContact CB-CE2 3.89Å; P251-F256 HydrophobicContact CG-CE2 4.47Å | ||
| 252 | R | 56.6 | Low | 50.7 | Low | 194 Ų | 194 | 123 Ų | 123 | 73% | 0.732 | 67% | 0.667 | S | S | * | * | trans | -56.4 | 140.2 | -164.9 | -69.3 | -173.7 | 174.8 | -166.4 | 0.3 | 109.9 | L250 S254 D255 | L250-R252 PolarHBondContact O-N 2.96Å; R252-S254 WeakPolarHBondContact CB-OG 3.47Å; R252-S254 PolarHBondContact O-N 3.26Å; R252-D255 PolarHBondContact O-N 3.4Å | ||
| 253 | L | 54.8 | Low | 51.1 | Low | 140 Ų | 140 | 127.5 Ų | 127.5 | 73% | 0.733 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -55.2 | -24.1 | 177.7 | -94.5 | 159.4 | 0 | 0 | 0 | 112.6 | P251 R257 | P251-L253 PolarHBondContact O-N 2.88Å; L253-R257 WeakPolarHBondContact O-CB 3.23Å; L253-R257 PolarHBondContact O-N 2.93Å |
| 254 | S | 55 | Low | 51.8 | Low | 66 Ų | 66 | 127.5 Ų | 127.5 | 46% | 0.462 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -57 | -41.8 | 167.9 | 49.5 | 0 | 0 | 0 | 0 | 113.5 | R252 R257 R258 | R252-S254 WeakPolarHBondContact CB-OG 3.47Å; R252-S254 PolarHBondContact O-N 3.26Å; S254-R257 CarbonylContact O-C 3.56Å; S254-R257 PolarHBondContact O-N 3.25Å; S254-R258 VanDerWaalsContact O-CB 3.24Å; S254-R258 WeakPolarHBondContact O-CB 3.43Å; S254-R258 PolarHBondContact O-N 2.72Å |
| 255 | D | 55.7 | Low | 52.5 | Low | 70 Ų | 70 | 125.4 Ų | 125.4 | 37% | 0.374 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -77.7 | -38.1 | -176.1 | -66.8 | -56.3 | 0 | 0 | 0 | 112.3 | R252 R257 R258 R259 | R252-D255 PolarHBondContact O-N 3.4Å; D255-R257 VanDerWaalsContact C-N 3.33Å; D255-R258 PolarHBondContact O-N 3.45Å; D255-R259 WeakPolarHBondContact O-CB 3.21Å; D255-R259 VanDerWaalsContact O-CG 3.32Å; D255-R259 WeakPolarHBondContact O-CG 3.5Å; D255-R259 PolarHBondContact O-N 3.33Å |
| 256 | F | 54.8 | Low | 53.4 | Low | 118 Ų | 118 | 122.7 Ų | 122.7 | 52% | 0.518 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.2 | -41.4 | 167.5 | -81.2 | -69.8 | 0 | 0 | 0 | 111.4 | P251 R259 R260 | P251-F256 HydrophobicContact CB-CD2 4.47Å; P251-F256 HydrophobicContact CB-CE2 3.89Å; P251-F256 HydrophobicContact CG-CE2 4.47Å; F256-R259 PolarHBondContact O-N 2.94Å; F256-R260 WeakPolarHBondContact O-CB 3.08Å; F256-R260 PolarHBondContact O-N 2.98Å |
| 257 | R | 55 | Low | 54.4 | Low | 187 Ų | 187 | 119.2 Ų | 119.2 | 71% | 0.706 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.2 | -41.3 | 174.5 | -168.4 | -178.9 | -65.1 | -163 | -0 | 111.7 | L253 S254 D255 R260 S261 | L253-R257 WeakPolarHBondContact O-CB 3.23Å; L253-R257 PolarHBondContact O-N 2.93Å; S254-R257 CarbonylContact O-C 3.56Å; S254-R257 PolarHBondContact O-N 3.25Å; D255-R257 VanDerWaalsContact C-N 3.33Å; R257-R260 CarbonylContact O-C 3.58Å; R257-R260 PolarHBondContact O-N 3.12Å; R257-S261 WeakPolarHBondContact O-CB 3.27Å; R257-S261 PolarHBondContact O-N 3.04Å |
| 258 | R | 52.5 | Low | 55.6 | Low | 188 Ų | 188 | 115.2 Ų | 115.2 | 71% | 0.709 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.7 | -43.3 | 175.7 | -164.2 | 176 | -172.1 | -169.5 | 3.8 | 111 | S254 D255 S261 F262 | S254-R258 VanDerWaalsContact O-CB 3.24Å; S254-R258 WeakPolarHBondContact O-CB 3.43Å; S254-R258 PolarHBondContact O-N 2.72Å; D255-R258 PolarHBondContact O-N 3.45Å; R258-S261 PolarHBondContact O-N 2.95Å; R258-F262 WeakPolarHBondContact O-CB 3.13Å; R258-F262 PolarHBondContact O-N 3.5Å |
| 259 | R | 55.8 | Low | 56.7 | Low | 188 Ų | 188 | 115 Ų | 115 | 71% | 0.709 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.3 | -45.4 | 172.7 | -70.2 | 179.2 | -173.7 | -142.7 | 4.6 | 112.5 | D255 F256 S261 R263 | D255-R259 WeakPolarHBondContact O-CB 3.21Å; D255-R259 VanDerWaalsContact O-CG 3.32Å; D255-R259 WeakPolarHBondContact O-CG 3.5Å; D255-R259 PolarHBondContact O-N 3.33Å; F256-R259 PolarHBondContact O-N 2.94Å; R259-S261 PolarHBondContact O-N 2.98Å; R259-R263 VanDerWaalsContact O-CB 3.31Å; R259-R263 WeakPolarHBondContact O-CB 3.33Å; R259-R263 PolarHBondContact O-N 3.48Å |
| 260 | R | 54 | Low | 58 | Low | 152 Ų | 152 | 115.4 Ų | 115.4 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.8 | -19 | 173.2 | -102.5 | 179.9 | 170.7 | 173.5 | -4 | 112.7 | F256 R257 R264 E386 | F256-R260 WeakPolarHBondContact O-CB 3.08Å; F256-R260 PolarHBondContact O-N 2.98Å; R257-R260 CarbonylContact O-C 3.58Å; R257-R260 PolarHBondContact O-N 3.12Å; R260-R264 PolarHBondContact O-NE 3.41Å; R260-E386 IonicContact CZ-OE1 3.69Å; R260-E386 IonicContact NH1-OE1 2.74Å; R260-E386 PolarHBondContact NH1-OE1 2.92Å; R260-E386 VanDerWaalsContact NH2-CD 3.34Å; R260-E386 IonicContact NH2-OE1 3.71Å; R260-E386 PolarHBondContact NH2-OE1 2.65Å; R260-E386 IonicContact NH2-OE2 2.78Å; R260-E386 PolarHBondContact NH2-OE2 3.29Å |
| 261 | S | 50.5 | Low | 59.3 | Low | 52 Ų | 52 | 110 Ų | 110 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -85 | -54.9 | 173.1 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | R257 R258 R259 R263 R264 I265 | R257-S261 WeakPolarHBondContact O-CB 3.27Å; R257-S261 PolarHBondContact O-N 3.04Å; R258-S261 PolarHBondContact O-N 2.95Å; R259-S261 PolarHBondContact O-N 2.98Å; S261-R263 VanDerWaalsContact C-N 3.27Å; S261-R263 PolarHBondContact O-N 3.35Å; S261-R264 WeakPolarHBondContact O-CA 3.48Å; S261-R264 WeakPolarHBondContact O-CB 3.48Å; S261-R264 PolarHBondContact O-N 3.47Å; S261-I265 PolarHBondContact O-N 2.89Å |
| 262 | F | 53.6 | Low | 60.6 | Low | 141 Ų | 141 | 107.6 Ų | 107.6 | 62% | 0.618 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -54.1 | -42.2 | 177.7 | -174.1 | -98.2 | 0 | 0 | 0 | 112.2 | R258 R264 I265 A266 | R258-F262 WeakPolarHBondContact O-CB 3.13Å; R258-F262 PolarHBondContact O-N 3.5Å; F262-R264 VanDerWaalsContact C-N 3.26Å; F262-R264 PolarHBondContact O-N 2.95Å; F262-I265 PolarHBondContact O-N 3.29Å; F262-A266 WeakPolarHBondContact O-CB 3.49Å; F262-A266 PolarHBondContact O-N 2.9Å |
| 263 | R | 55.8 | Low | 61.9 | Low | 178 Ų | 178 | 98.4 Ų | 98.4 | 67% | 0.672 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.5 | -21.5 | 176.7 | -152.8 | 178.8 | -156.7 | -179.5 | 6.9 | 113.8 | R259 S261 G267 | R259-R263 VanDerWaalsContact O-CB 3.31Å; R259-R263 WeakPolarHBondContact O-CB 3.33Å; R259-R263 PolarHBondContact O-N 3.48Å; S261-R263 VanDerWaalsContact C-N 3.27Å; S261-R263 PolarHBondContact O-N 3.35Å; R263-G267 PolarHBondContact O-N 3.43Å |
| 264 | R | 57.1 | Low | 63.3 | Low | 171 Ų | 171 | 95.9 Ų | 95.9 | 65% | 0.645 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -82.1 | -39.7 | 172.1 | -82.7 | -174.6 | -80.4 | 179.2 | -3.9 | 112.1 | R260 S261 F262 G267 A268 | R260-R264 PolarHBondContact O-NE 3.41Å; S261-R264 WeakPolarHBondContact O-CA 3.48Å; S261-R264 WeakPolarHBondContact O-CB 3.48Å; S261-R264 PolarHBondContact O-N 3.47Å; F262-R264 VanDerWaalsContact C-N 3.26Å; F262-R264 PolarHBondContact O-N 2.95Å; R264-G267 CarbonylContact O-C 3.6Å; R264-G267 PolarHBondContact O-N 2.87Å; R264-A268 PolarHBondContact O-N 3.41Å |
| 265 | I | 59.4 | Low | 64.7 | Low | 92 Ų | 92 | 93.4 Ų | 93.4 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.7 | -55.8 | 177.3 | -63.4 | 165.5 | 0 | 0 | 0 | 110.3 | S261 F262 G267 A268 E269 | S261-I265 PolarHBondContact O-N 2.89Å; F262-I265 PolarHBondContact O-N 3.29Å; I265-G267 PolarHBondContact O-N 3.35Å; I265-A268 WeakPolarHBondContact O-CA 3.29Å; I265-A268 WeakPolarHBondContact O-CB 3.49Å; I265-A268 PolarHBondContact O-N 3.37Å; I265-E269 PolarHBondContact O-N 3.02Å; I265-E269 VanDerWaalsContact O-N 3.09Å |
| 266 | A | 62.2 | Low | 66.2 | Low | 25 Ų | 25 | 90.1 Ų | 90.1 | 21% | 0.207 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.4 | -34.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F262 A268 E269 I270 | F262-A266 WeakPolarHBondContact O-CB 3.49Å; F262-A266 PolarHBondContact O-N 2.9Å; A266-A268 PolarHBondContact O-N 3.24Å; A266-E269 PolarHBondContact O-N 2.86Å; A266-I270 WeakPolarHBondContact O-CB 3.4Å; A266-I270 WeakPolarHBondContact O-CD1 3.26Å; A266-I270 VanDerWaalsContact O-CG1 3.23Å; A266-I270 WeakPolarHBondContact O-CG1 3.29Å; A266-I270 PolarHBondContact O-N 3.34Å |
| 267 | G | 66.7 | Low | 67.9 | Low | 25 Ų | 25 | 86.7 Ų | 86.7 | 26% | 0.258 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74.5 | -2.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R263 R264 I265 K336 | R263-G267 PolarHBondContact O-N 3.43Å; R264-G267 CarbonylContact O-C 3.6Å; R264-G267 PolarHBondContact O-N 2.87Å; I265-G267 PolarHBondContact O-N 3.35Å; G267-K336 PolarHBondContact O-NZ 2.75Å |
| 268 | A | 68.7 | Low | 69.5 | Low | 29 Ų | 29 | 79 Ų | 79 | 24% | 0.24 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -100.1 | -41 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R264 I265 A266 Q271 M272 | R264-A268 PolarHBondContact O-N 3.41Å; I265-A268 WeakPolarHBondContact O-CA 3.29Å; I265-A268 WeakPolarHBondContact O-CB 3.49Å; I265-A268 PolarHBondContact O-N 3.37Å; A266-A268 PolarHBondContact O-N 3.24Å; A268-Q271 WeakPolarHBondContact O-CB 3.49Å; A268-Q271 PolarHBondContact O-N 3.08Å; A268-Q271 VanDerWaalsContact O-N 3.13Å; A268-M272 WeakPolarHBondContact O-CG 3.26Å; A268-M272 PolarHBondContact O-N 3.21Å |
| 269 | E | 72.4 | Confident | 71.3 | Confident | 102 Ų | 102 | 70.2 Ų | 70.2 | 48% | 0.477 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 175.7 | -69.1 | 168.6 | 174.9 | 0 | 0 | 112.2 | I265 A266 Q271 M272 V273 | I265-E269 PolarHBondContact O-N 3.02Å; I265-E269 VanDerWaalsContact O-N 3.09Å; A266-E269 PolarHBondContact O-N 2.86Å; E269-Q271 PolarHBondContact O-N 2.91Å; E269-M272 WeakPolarHBondContact O-CB 3.28Å; E269-M272 PolarHBondContact O-N 2.92Å; E269-M272 VanDerWaalsContact O-N 3.11Å; E269-V273 PolarHBondContact O-N 3.07Å |
| 270 | I | 75.9 | Confident | 73.1 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 43% | 0.431 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.5 | -37.6 | 173.6 | -70.2 | 165.1 | 0 | 0 | 0 | 111.1 | A266 V273 I274 | A266-I270 WeakPolarHBondContact O-CB 3.4Å; A266-I270 WeakPolarHBondContact O-CD1 3.26Å; A266-I270 VanDerWaalsContact O-CG1 3.23Å; A266-I270 WeakPolarHBondContact O-CG1 3.29Å; A266-I270 PolarHBondContact O-N 3.34Å; I270-V273 PolarHBondContact O-N 3.45Å; I270-I274 HydrophobicContact CG2-CD1 3.83Å; I270-I274 HydrophobicContact CG2-CG1 4.43Å; I270-I274 VanDerWaalsContact O-CG1 3.31Å; I270-I274 WeakPolarHBondContact O-CG1 3.32Å; I270-I274 PolarHBondContact O-N 2.88Å |
| 271 | Q | 76.6 | Confident | 74.9 | Confident | 39 Ų | 39 | 58.6 Ų | 58.6 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.5 | -38.6 | 177.9 | -168.4 | -160.6 | -31.3 | 0 | 0 | 111.7 | A268 E269 V273 I274 L275 L334 K336 | A268-Q271 WeakPolarHBondContact O-CB 3.49Å; A268-Q271 PolarHBondContact O-N 3.08Å; A268-Q271 VanDerWaalsContact O-N 3.13Å; E269-Q271 PolarHBondContact O-N 2.91Å; Q271-V273 VanDerWaalsContact C-N 3.29Å; Q271-V273 PolarHBondContact O-N 2.95Å; Q271-I274 PolarHBondContact O-N 2.87Å; Q271-L275 VanDerWaalsContact O-CB 3.26Å; Q271-L275 WeakPolarHBondContact O-CB 3.4Å; Q271-L275 PolarHBondContact O-N 3.32Å; Q271-L334 PolarHBondContact NE2-O 2.99Å; Q271-K336 VanDerWaalsContact NE2-N 3.14Å |
| 272 | M | 79.1 | Confident | 76.9 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -35.3 | 173.3 | -64.4 | 176 | -161.4 | 0 | 0 | 111.8 | T52 F54 Y55 A268 E269 L276 | T52-M272 HydrophobicContact CG2-CE 4.41Å; F54-M272 HydrophobicContact CD1-CB 4.05Å; F54-M272 HydrophobicContact CD1-CG 3.92Å; F54-M272 HydrophobicContact CD1-SD 4.08Å; F54-M272 HydrophobicContact CE1-CB 3.81Å; F54-M272 HydrophobicContact CE1-CG 3.95Å; F54-M272 HydrophobicContact CZ-CB 4.2Å; F54-M272 WeakPolarHBondContact CZ-O 3.3Å; Y55-M272 HydrophobicContact CE2-CE 3.88Å; A268-M272 WeakPolarHBondContact O-CG 3.26Å; A268-M272 PolarHBondContact O-N 3.21Å; E269-M272 WeakPolarHBondContact O-CB 3.28Å; E269-M272 PolarHBondContact O-N 2.92Å; E269-M272 VanDerWaalsContact O-N 3.11Å; M272-L276 WeakPolarHBondContact O-CB 3.42Å; M272-L276 PolarHBondContact O-N 2.84Å |
| 273 | V | 83.5 | Confident | 78.8 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -75.7 | -41.1 | 177.1 | 178.1 | 0 | 0 | 0 | 0 | 112.4 | I121 V206 L210 E269 I270 Q271 L275 L276 I277 | I121-V273 HydrophobicContact CD1-CG2 3.64Å; V206-V273 HydrophobicContact CG1-CB 4.49Å; V206-V273 HydrophobicContact CG1-CG1 3.41Å; V206-V273 VanDerWaalsContact CG1-CG1 3.41Å; V206-V273 HydrophobicContact CG1-CG2 4.22Å; L210-V273 HydrophobicContact CD1-CB 3.87Å; L210-V273 HydrophobicContact CD1-CG1 3.49Å; L210-V273 VanDerWaalsContact CD1-CG1 3.49Å; L210-V273 HydrophobicContact CD1-CG2 4.19Å; E269-V273 PolarHBondContact O-N 3.07Å; I270-V273 PolarHBondContact O-N 3.45Å; Q271-V273 VanDerWaalsContact C-N 3.29Å; Q271-V273 PolarHBondContact O-N 2.95Å; V273-L275 PolarHBondContact O-N 2.87Å; V273-L276 PolarHBondContact O-N 3.09Å; V273-I277 HydrophobicContact CG1-CD1 3.71Å; V273-I277 HydrophobicContact CG1-CG1 4.28Å; V273-I277 WeakPolarHBondContact O-CD1 3.45Å; V273-I277 VanDerWaalsContact O-CG1 3.26Å; V273-I277 WeakPolarHBondContact O-CG1 3.47Å; V273-I277 PolarHBondContact O-N 3.27Å |
| 274 | I | 84.3 | Confident | 80.5 | Confident | 86 Ų | 86 | 43.5 Ų | 43.5 | 44% | 0.441 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.1 | -41.2 | 172.1 | -70.7 | 165.7 | 0 | 0 | 0 | 110.1 | I270 Q271 A278 L334 | I270-I274 HydrophobicContact CG2-CD1 3.83Å; I270-I274 HydrophobicContact CG2-CG1 4.43Å; I270-I274 VanDerWaalsContact O-CG1 3.31Å; I270-I274 WeakPolarHBondContact O-CG1 3.32Å; I270-I274 PolarHBondContact O-N 2.88Å; Q271-I274 PolarHBondContact O-N 2.87Å; I274-A278 WeakPolarHBondContact O-CB 3.25Å; I274-A278 PolarHBondContact O-N 2.89Å; I274-L334 HydrophobicContact CG2-CD1 4.42Å |
| 275 | L | 85.1 | Confident | 82.3 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 8% | 0.079 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.1 | -50.8 | 175.9 | 176.8 | 58.8 | 0 | 0 | 0 | 112.3 | F54 Q271 V273 I277 A278 T279 I330 Y331 L334 | F54-L275 HydrophobicContact CE1-CD2 3.92Å; F54-L275 HydrophobicContact CZ-CD2 4.09Å; F54-L275 HydrophobicContact CZ-CG 4.3Å; Q271-L275 VanDerWaalsContact O-CB 3.26Å; Q271-L275 WeakPolarHBondContact O-CB 3.4Å; Q271-L275 PolarHBondContact O-N 3.32Å; V273-L275 PolarHBondContact O-N 2.87Å; L275-I277 VanDerWaalsContact C-N 3.29Å; L275-I277 PolarHBondContact O-N 3.24Å; L275-A278 PolarHBondContact O-N 2.94Å; L275-A278 VanDerWaalsContact O-N 3.15Å; L275-T279 HydrophobicContact CD1-CG2 4.03Å; L275-T279 WeakPolarHBondContact O-CG2 3.29Å; L275-T279 PolarHBondContact O-N 3.47Å; L275-T279 PolarHBondContact O-OG1 3.41Å; L275-I330 HydrophobicContact CD1-CG2 3.95Å; L275-Y331 HydrophobicContact CD1-CD1 3.48Å; L275-Y331 VanDerWaalsContact CD1-CD1 3.48Å; L275-Y331 HydrophobicContact CD1-CE1 3.73Å; L275-Y331 HydrophobicContact CD1-CG 4.28Å; L275-Y331 HydrophobicContact CD2-CD1 3.59Å; L275-Y331 HydrophobicContact CD2-CE1 3.81Å; L275-Y331 HydrophobicContact CG-CD1 3.86Å; L275-Y331 HydrophobicContact CG-CE1 3.82Å; L275-L334 HydrophobicContact CD1-CB 4.43Å; L275-L334 HydrophobicContact CD1-CD1 4.14Å |
| 276 | L | 87.4 | Confident | 84 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -51.8 | -47.5 | 174.1 | 177.3 | 85.3 | 0 | 0 | 0 | 111.8 | F54 M113 R117 N203 M272 V273 T279 S280 | F54-L276 HydrophobicContact CE2-CB 4.25Å; F54-L276 HydrophobicContact CE2-CD1 4.21Å; M113-L276 HydrophobicContact CB-CD1 3.69Å; R117-L276 HydrophobicContact CB-CD2 3.83Å; R117-L276 HydrophobicContact CG-CD1 4.09Å; R117-L276 HydrophobicContact CG-CD2 3.86Å; R117-L276 HydrophobicContact CG-CG 4.37Å; N203-L276 WeakPolarHBondContact OD1-CD2 3.49Å; M272-L276 WeakPolarHBondContact O-CB 3.42Å; M272-L276 PolarHBondContact O-N 2.84Å; V273-L276 PolarHBondContact O-N 3.09Å; L276-T279 PolarHBondContact O-OG1 2.84Å; L276-S280 WeakPolarHBondContact O-CB 3.48Å; L276-S280 PolarHBondContact O-N 3Å; L276-S280 PolarHBondContact O-OG 3.16Å |
| 277 | I | 89.6 | Confident | 85.5 | Confident | 46 Ų | 46 | 36.1 Ų | 36.1 | 24% | 0.236 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | -179 | -67.5 | 161.5 | 0 | 0 | 0 | 110 | C207 V273 L275 L281 | C207-I277 WeakPolarHBondContact SG-CD1 3.33Å; V273-I277 HydrophobicContact CG1-CD1 3.71Å; V273-I277 HydrophobicContact CG1-CG1 4.28Å; V273-I277 WeakPolarHBondContact O-CD1 3.45Å; V273-I277 VanDerWaalsContact O-CG1 3.26Å; V273-I277 WeakPolarHBondContact O-CG1 3.47Å; V273-I277 PolarHBondContact O-N 3.27Å; L275-I277 VanDerWaalsContact C-N 3.29Å; L275-I277 PolarHBondContact O-N 3.24Å; I277-L281 HydrophobicContact CG2-CD1 3.8Å; I277-L281 HydrophobicContact CG2-CG 4.35Å; I277-L281 WeakPolarHBondContact O-CB 3.17Å; I277-L281 WeakPolarHBondContact O-CG 3.28Å; I277-L281 PolarHBondContact O-N 3.35Å |
| 278 | A | 90.3 | Very high | 86.9 | Confident | 27 Ų | 27 | 38.4 Ų | 38.4 | 22% | 0.223 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -46.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | I274 L275 L281 V282 I330 L334 | I274-A278 WeakPolarHBondContact O-CB 3.25Å; I274-A278 PolarHBondContact O-N 2.89Å; L275-A278 PolarHBondContact O-N 2.94Å; L275-A278 VanDerWaalsContact O-N 3.15Å; A278-L281 PolarHBondContact O-N 3.42Å; A278-V282 PolarHBondContact O-N 3.02Å; A278-V282 VanDerWaalsContact O-N 3.14Å; A278-I330 HydrophobicContact CB-CG2 3.58Å; A278-L334 HydrophobicContact CB-CD1 3.55Å |
| 279 | T | 89.8 | Confident | 88.2 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.2 | -43.1 | 177.8 | 61.2 | 0 | 0 | 0 | 0 | 110.8 | L275 L276 L281 V282 V283 D327 I330 Y331 | L275-T279 HydrophobicContact CD1-CG2 4.03Å; L275-T279 WeakPolarHBondContact O-CG2 3.29Å; L275-T279 PolarHBondContact O-N 3.47Å; L275-T279 PolarHBondContact O-OG1 3.41Å; L276-T279 PolarHBondContact O-OG1 2.84Å; T279-L281 VanDerWaalsContact C-N 3.33Å; T279-L281 PolarHBondContact O-N 3.12Å; T279-V282 PolarHBondContact O-N 3.5Å; T279-V283 WeakPolarHBondContact O-CB 3.29Å; T279-V283 WeakPolarHBondContact O-CG2 3.28Å; T279-V283 PolarHBondContact O-N 3.5Å; T279-D327 WeakPolarHBondContact CB-OD1 3.4Å; T279-I330 HydrophobicContact CG2-CB 4.06Å; T279-I330 HydrophobicContact CG2-CD1 4.15Å; T279-I330 HydrophobicContact CG2-CG2 3.69Å; T279-Y331 HydrophobicContact CG2-CE1 3.91Å; T279-Y331 HydrophobicContact CG2-CE2 4.1Å |
| 280 | S | 92.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.1 | -44 | 174.8 | -59 | 0 | 0 | 0 | 0 | 112.1 | N203 L276 V283 L284 | N203-S280 WeakPolarHBondContact ND2-CB 3.45Å; N203-S280 PolarHBondContact ND2-OG 3.16Å; L276-S280 WeakPolarHBondContact O-CB 3.48Å; L276-S280 PolarHBondContact O-N 3Å; L276-S280 PolarHBondContact O-OG 3.16Å; S280-V283 PolarHBondContact O-N 3.36Å; S280-L284 VanDerWaalsContact O-CB 3.27Å; S280-L284 WeakPolarHBondContact O-CB 3.3Å; S280-L284 WeakPolarHBondContact O-CD1 3.41Å; S280-L284 WeakPolarHBondContact O-CG 3.48Å; S280-L284 PolarHBondContact O-N 3.43Å |
| 281 | L | 92.8 | Very high | 90.2 | Very high | 95 Ų | 95 | 30.5 Ų | 30.5 | 50% | 0.497 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 178.9 | -77.3 | 169.9 | 0 | 0 | 0 | 112 | I277 A278 T279 I285 | I277-L281 HydrophobicContact CG2-CD1 3.8Å; I277-L281 HydrophobicContact CG2-CG 4.35Å; I277-L281 WeakPolarHBondContact O-CB 3.17Å; I277-L281 WeakPolarHBondContact O-CG 3.28Å; I277-L281 PolarHBondContact O-N 3.35Å; A278-L281 PolarHBondContact O-N 3.42Å; T279-L281 VanDerWaalsContact C-N 3.33Å; T279-L281 PolarHBondContact O-N 3.12Å; L281-I285 WeakPolarHBondContact O-CB 3.24Å; L281-I285 WeakPolarHBondContact O-CD1 3.45Å; L281-I285 WeakPolarHBondContact O-CG1 3.34Å; L281-I285 PolarHBondContact O-N 3.46Å |
| 282 | V | 93.4 | Very high | 91.1 | Very high | 33 Ų | 33 | 32 Ų | 32 | 20% | 0.2 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.1 | -46.8 | 177 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | A278 T279 L284 I285 C286 L326 I330 | A278-V282 PolarHBondContact O-N 3.02Å; A278-V282 VanDerWaalsContact O-N 3.14Å; T279-V282 PolarHBondContact O-N 3.5Å; V282-L284 VanDerWaalsContact C-N 3.32Å; V282-L284 PolarHBondContact O-N 3.49Å; V282-I285 PolarHBondContact O-N 3.23Å; V282-C286 WeakPolarHBondContact O-CB 3.48Å; V282-C286 PolarHBondContact O-N 3.21Å; V282-C286 PolarHBondContact O-SG 3.41Å; V282-L326 HydrophobicContact CG1-CB 3.82Å; V282-L326 HydrophobicContact CG1-CD1 3.69Å; V282-L326 HydrophobicContact CG1-CG 4.42Å; V282-I330 HydrophobicContact CB-CD1 3.75Å; V282-I330 HydrophobicContact CG1-CD1 4.14Å; V282-I330 HydrophobicContact CG2-CD1 3.57Å |
| 283 | V | 91.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.9 | -40.8 | 176.1 | 171.3 | 0 | 0 | 0 | 0 | 112 | L107 I110 T279 S280 C286 S287 N323 D327 | L107-V283 HydrophobicContact CD2-CG1 3.89Å; I110-V283 HydrophobicContact CD1-CB 4.4Å; I110-V283 HydrophobicContact CD1-CG2 3.84Å; I110-V283 HydrophobicContact CG1-CB 4.4Å; I110-V283 HydrophobicContact CG1-CG1 4.21Å; I110-V283 HydrophobicContact CG1-CG2 3.99Å; T279-V283 WeakPolarHBondContact O-CB 3.29Å; T279-V283 WeakPolarHBondContact O-CG2 3.28Å; T279-V283 PolarHBondContact O-N 3.5Å; S280-V283 PolarHBondContact O-N 3.36Å; V283-C286 PolarHBondContact O-N 2.03Å; V283-S287 WeakPolarHBondContact O-CB 2.99Å; V283-S287 PolarHBondContact O-N 2.74Å; V283-S287 PolarHBondContact O-OG 2.85Å; V283-N323 VanDerWaalsContact CA-OD1 3.27Å; V283-N323 WeakPolarHBondContact CA-OD1 3.46Å; V283-N323 WeakPolarHBondContact CG2-OD1 3.1Å; V283-D327 WeakPolarHBondContact CG2-OD2 3.33Å |
| 284 | L | 92.6 | Very high | 92.3 | Very high | 18 Ų | 18 | 32.7 Ų | 32.7 | 9% | 0.094 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.2 | -48.9 | 175 | -73 | 165.7 | 0 | 0 | 0 | 111.3 | I196 V200 S280 V282 C286 S287 I288 | I196-L284 HydrophobicContact CB-CD2 4.19Å; I196-L284 HydrophobicContact CG1-CD2 4.13Å; I196-L284 HydrophobicContact CG2-CD2 3.69Å; V200-L284 HydrophobicContact CG2-CD1 3.66Å; V200-L284 HydrophobicContact CG2-CD2 3.92Å; V200-L284 HydrophobicContact CG2-CG 4.49Å; S280-L284 VanDerWaalsContact O-CB 3.27Å; S280-L284 WeakPolarHBondContact O-CB 3.3Å; S280-L284 WeakPolarHBondContact O-CD1 3.41Å; S280-L284 WeakPolarHBondContact O-CG 3.48Å; S280-L284 PolarHBondContact O-N 3.43Å; V282-L284 VanDerWaalsContact C-N 3.32Å; V282-L284 PolarHBondContact O-N 3.49Å; L284-C286 VanDerWaalsContact C-N 3.3Å; L284-C286 PolarHBondContact O-N 3.01Å; L284-S287 PolarHBondContact O-N 2.96Å; L284-I288 HydrophobicContact CB-CD1 4.15Å; L284-I288 HydrophobicContact CD2-CD1 4.27Å; L284-I288 VanDerWaalsContact O-CB 3.29Å; L284-I288 WeakPolarHBondContact O-CB 3.37Å; L284-I288 WeakPolarHBondContact O-CD1 3.33Å; L284-I288 WeakPolarHBondContact O-CG1 3.4Å; L284-I288 PolarHBondContact O-N 3.39Å |
| 285 | I | 95.3 | Very high | 92.8 | Very high | 115 Ų | 115 | 31.4 Ų | 31.4 | 59% | 0.59 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -61.3 | -38.4 | 178 | -70.7 | 164.7 | 0 | 0 | 0 | 111.3 | L281 V282 P289 | L281-I285 WeakPolarHBondContact O-CB 3.24Å; L281-I285 WeakPolarHBondContact O-CD1 3.45Å; L281-I285 WeakPolarHBondContact O-CG1 3.34Å; L281-I285 PolarHBondContact O-N 3.46Å; V282-I285 PolarHBondContact O-N 3.23Å; I285-P289 WeakPolarHBondContact O-CD 3.44Å |
| 286 | C | 94.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 5% | 0.047 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -77.7 | -32.4 | -179.2 | -62.8 | 0 | 0 | 0 | 0 | 113.4 | V282 V283 L284 I319 A320 N323 | V282-C286 WeakPolarHBondContact O-CB 3.48Å; V282-C286 PolarHBondContact O-N 3.21Å; V282-C286 PolarHBondContact O-SG 3.41Å; V283-C286 PolarHBondContact O-N 2.03Å; L284-C286 VanDerWaalsContact C-N 3.3Å; L284-C286 PolarHBondContact O-N 3.01Å; C286-I319 HydrophobicContact CB-CG2 4.48Å; C286-A320 WeakPolarHBondContact O-CA 3.39Å; C286-N323 HydrophobicContact CB-CB 3.79Å |
| 287 | S | 94.6 | Very high | 93.4 | Very high | 11 Ų | 11 | 33.1 Ų | 33.1 | 8% | 0.077 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -93.5 | -34.8 | -172.9 | -52.3 | 0 | 0 | 0 | 0 | 114.1 | V283 L284 L290 V291 | V283-S287 WeakPolarHBondContact O-CB 2.99Å; V283-S287 PolarHBondContact O-N 2.74Å; V283-S287 PolarHBondContact O-OG 2.85Å; L284-S287 PolarHBondContact O-N 2.96Å; S287-L290 PolarHBondContact O-N 3.4Å; S287-V291 PolarHBondContact O-N 2.88Å |
| 288 | I | 94.8 | Very high | 93.5 | Very high | 73 Ų | 73 | 31.5 Ų | 31.5 | 37% | 0.374 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -55.9 | -44.5 | -177.2 | -73.6 | 167.5 | 0 | 0 | 0 | 112.5 | I196 L284 L290 V291 V292 | I196-I288 HydrophobicContact CD1-CG1 4.11Å; I196-I288 HydrophobicContact CG2-CD1 4.46Å; I196-I288 HydrophobicContact CG2-CG1 4.33Å; L284-I288 HydrophobicContact CB-CD1 4.15Å; L284-I288 HydrophobicContact CD2-CD1 4.27Å; L284-I288 VanDerWaalsContact O-CB 3.29Å; L284-I288 WeakPolarHBondContact O-CB 3.37Å; L284-I288 WeakPolarHBondContact O-CD1 3.33Å; L284-I288 WeakPolarHBondContact O-CG1 3.4Å; L284-I288 PolarHBondContact O-N 3.39Å; I288-L290 VanDerWaalsContact C-N 3.31Å; I288-L290 PolarHBondContact O-N 3.21Å; I288-V291 PolarHBondContact O-N 2.8Å; I288-V292 HydrophobicContact CG2-CG2 4.03Å; I288-V292 WeakPolarHBondContact O-CB 3.38Å; I288-V292 VanDerWaalsContact O-CG2 3.3Å; I288-V292 WeakPolarHBondContact O-CG2 3.48Å; I288-V292 PolarHBondContact O-N 3.22Å |
| 289 | P | 96.3 | Very high | 93.5 | Very high | 41 Ų | 41 | 34.6 Ų | 34.6 | 27% | 0.266 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.9 | -42.8 | 178.3 | -27.5 | 37.1 | 0 | 0 | 0 | 113 | I285 V292 R293 A316 I319 | I285-P289 WeakPolarHBondContact O-CD 3.44Å; P289-V292 PolarHBondContact O-N 2.74Å; P289-R293 WeakPolarHBondContact O-CG 2.98Å; P289-R293 PolarHBondContact O-N 3.44Å; P289-A316 HydrophobicContact CB-CB 3.99Å; P289-I319 HydrophobicContact CG-CG2 4.13Å |
| 290 | L | 94.2 | Very high | 93.4 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.2 | -48.1 | 179.9 | -174.3 | 63.4 | 0 | 0 | 0 | 111.2 | F171 W174 S287 I288 V292 R293 V294 I317 A320 | F171-L290 HydrophobicContact CE1-CD1 4.47Å; F171-L290 HydrophobicContact CZ-CD1 4.42Å; F171-L290 HydrophobicContact CZ-CD2 4.46Å; W174-L290 HydrophobicContact CZ3-CD1 4.39Å; S287-L290 PolarHBondContact O-N 3.4Å; I288-L290 VanDerWaalsContact C-N 3.31Å; I288-L290 PolarHBondContact O-N 3.21Å; L290-V292 VanDerWaalsContact C-N 3.33Å; L290-V292 PolarHBondContact O-N 2.98Å; L290-R293 PolarHBondContact O-N 3.38Å; L290-R293 VanDerWaalsContact O-N 3.14Å; L290-V294 WeakPolarHBondContact O-CG2 3.38Å; L290-V294 PolarHBondContact O-N 2.9Å; L290-V294 VanDerWaalsContact O-N 3.07Å; L290-I317 HydrophobicContact CD1-CD1 4.16Å; L290-I317 HydrophobicContact CD2-CD1 4.24Å; L290-A320 HydrophobicContact CD2-CB 4.18Å |
| 291 | V | 95.3 | Very high | 93 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -40.8 | 178.3 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | A189 S193 I196 S287 I288 R293 V294 F295 | A189-V291 HydrophobicContact CB-CG1 4.47Å; S193-V291 WeakPolarHBondContact OG-CG1 3.33Å; I196-V291 HydrophobicContact CD1-CG2 4.07Å; S287-V291 PolarHBondContact O-N 2.88Å; I288-V291 PolarHBondContact O-N 2.8Å; V291-R293 VanDerWaalsContact C-N 3.34Å; V291-R293 PolarHBondContact O-N 3.19Å; V291-V294 PolarHBondContact O-N 2.74Å; V291-F295 HydrophobicContact CG1-CD2 4.14Å; V291-F295 HydrophobicContact CG1-CE2 3.95Å; V291-F295 WeakPolarHBondContact O-CD2 3.39Å; V291-F295 PolarHBondContact O-N 3.47Å |
| 292 | V | 95.4 | Very high | 92.5 | Very high | 72 Ų | 72 | 45.5 Ų | 45.5 | 44% | 0.436 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63 | -38.8 | 174.9 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | I288 P289 L290 F295 V296 | I288-V292 HydrophobicContact CG2-CG2 4.03Å; I288-V292 WeakPolarHBondContact O-CB 3.38Å; I288-V292 VanDerWaalsContact O-CG2 3.3Å; I288-V292 WeakPolarHBondContact O-CG2 3.48Å; I288-V292 PolarHBondContact O-N 3.22Å; P289-V292 PolarHBondContact O-N 2.74Å; L290-V292 VanDerWaalsContact C-N 3.33Å; L290-V292 PolarHBondContact O-N 2.98Å; V292-F295 PolarHBondContact O-N 2.96Å; V292-V296 HydrophobicContact CG1-CG2 4.13Å; V292-V296 WeakPolarHBondContact O-CB 3.2Å; V292-V296 VanDerWaalsContact O-CG2 3.31Å; V292-V296 WeakPolarHBondContact O-CG2 3.25Å; V292-V296 PolarHBondContact O-N 2.88Å |
| 293 | R | 94.4 | Very high | 91.8 | Very high | 33 Ų | 33 | 49.6 Ų | 49.6 | 13% | 0.125 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66 | -38 | 174.9 | -68.4 | -55.9 | -64.5 | 145.9 | 1.6 | 112.9 | W174 P289 L290 V291 F295 V296 N297 D313 A316 | W174-R293 HydrophobicContact CH2-CB 4.33Å; W174-R293 HydrophobicContact CZ3-CB 4.25Å; P289-R293 WeakPolarHBondContact O-CG 2.98Å; P289-R293 PolarHBondContact O-N 3.44Å; L290-R293 PolarHBondContact O-N 3.38Å; L290-R293 VanDerWaalsContact O-N 3.14Å; V291-R293 VanDerWaalsContact C-N 3.34Å; V291-R293 PolarHBondContact O-N 3.19Å; R293-F295 PolarHBondContact O-N 3.19Å; R293-V296 PolarHBondContact O-N 2.99Å; R293-N297 PolarHBondContact NH1-OD1 3.31Å; R293-N297 PolarHBondContact NH2-OD1 3.39Å; R293-N297 VanDerWaalsContact O-CB 3.31Å; R293-N297 WeakPolarHBondContact O-CB 3.39Å; R293-N297 PolarHBondContact O-N 3.49Å; R293-N297 PolarHBondContact O-ND2 3.37Å; R293-D313 IonicContact CZ-OD1 2.73Å; R293-D313 IonicContact CZ-OD2 4Å; R293-D313 IonicContact NE-OD1 2.65Å; R293-D313 PolarHBondContact NE-OD1 3.13Å; R293-D313 IonicContact NE-OD2 2.94Å; R293-D313 IonicContact NH2-OD1 3.8Å; R293-D313 PolarHBondContact NH2-OD1 2.99Å; R293-D313 IonicContact NH2-OD2 3.19Å; R293-D313 PolarHBondContact NH2-OD2 3.12Å; R293-A316 HydrophobicContact CG-CB 3.78Å |
| 294 | V | 93.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.9 | -49.8 | 172.4 | -170.1 | 0 | 0 | 0 | 0 | 110.9 | F171 I172 W174 Y188 A189 L290 V291 Q298 | F171-V294 HydrophobicContact CE1-CG2 4.3Å; I172-V294 HydrophobicContact CD1-CG1 4.15Å; W174-V294 HydrophobicContact CB-CG1 4.5Å; W174-V294 HydrophobicContact CE3-CB 4.24Å; W174-V294 HydrophobicContact CE3-CG2 3.89Å; W174-V294 HydrophobicContact CZ3-CG2 4.09Å; Y188-V294 HydrophobicContact CD1-CG2 4.25Å; Y188-V294 HydrophobicContact CE1-CG2 4.21Å; A189-V294 HydrophobicContact CB-CB 4.02Å; A189-V294 HydrophobicContact CB-CG1 3.88Å; L290-V294 WeakPolarHBondContact O-CG2 3.38Å; L290-V294 PolarHBondContact O-N 2.9Å; L290-V294 VanDerWaalsContact O-N 3.07Å; V291-V294 PolarHBondContact O-N 2.74Å; V294-Q298 WeakPolarHBondContact O-CB 3.39Å; V294-Q298 PolarHBondContact O-N 2.98Å; V294-Q298 VanDerWaalsContact O-N 3.13Å |
| 295 | F | 94.3 | Very high | 90.7 | Very high | 59 Ų | 59 | 57 Ų | 57 | 26% | 0.259 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62 | -49.6 | 177.7 | -81.3 | -66 | 0 | 0 | 0 | 112.6 | Y186 A189 S193 V291 V292 R293 N297 Q298 L299 | Y186-F295 HydrophobicContact CD1-CD1 4.36Å; Y186-F295 HydrophobicContact CD1-CE1 4.34Å; A189-F295 HydrophobicContact CB-CD1 4.18Å; A189-F295 HydrophobicContact CB-CD2 3.81Å; A189-F295 HydrophobicContact CB-CE1 3.9Å; A189-F295 HydrophobicContact CB-CE2 3.5Å; A189-F295 HydrophobicContact CB-CG 4.14Å; A189-F295 HydrophobicContact CB-CZ 3.55Å; S193-F295 WeakPolarHBondContact OG-CE2 3.45Å; V291-F295 HydrophobicContact CG1-CD2 4.14Å; V291-F295 HydrophobicContact CG1-CE2 3.95Å; V291-F295 WeakPolarHBondContact O-CD2 3.39Å; V291-F295 PolarHBondContact O-N 3.47Å; V292-F295 PolarHBondContact O-N 2.96Å; R293-F295 PolarHBondContact O-N 3.19Å; F295-N297 VanDerWaalsContact C-N 3.35Å; F295-N297 PolarHBondContact O-N 3.47Å; F295-Q298 PolarHBondContact O-N 3.35Å; F295-L299 HydrophobicContact CB-CD1 4.23Å; F295-L299 HydrophobicContact CD1-CD1 4.27Å; F295-L299 VanDerWaalsContact O-CB 3.22Å; F295-L299 WeakPolarHBondContact O-CB 3.43Å; F295-L299 WeakPolarHBondContact O-CD1 3.42Å; F295-L299 VanDerWaalsContact O-CG 3.3Å; F295-L299 WeakPolarHBondContact O-CG 3.18Å; F295-L299 PolarHBondContact O-N 3.33Å |
| 296 | V | 93.8 | Very high | 90 | Very high | 43 Ų | 43 | 60.7 Ų | 60.7 | 26% | 0.261 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.5 | -38.7 | -174.8 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | V292 R293 Y300 P302 | V292-V296 HydrophobicContact CG1-CG2 4.13Å; V292-V296 WeakPolarHBondContact O-CB 3.2Å; V292-V296 VanDerWaalsContact O-CG2 3.31Å; V292-V296 WeakPolarHBondContact O-CG2 3.25Å; V292-V296 PolarHBondContact O-N 2.88Å; R293-V296 PolarHBondContact O-N 2.99Å; V296-Y300 HydrophobicContact CG1-CD2 4.39Å; V296-Y300 WeakPolarHBondContact O-CB 3.16Å; V296-Y300 PolarHBondContact O-N 2.88Å; V296-P302 HydrophobicContact CG1-CG 4.15Å |
| 297 | N | 92 | Very high | 89.4 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 177.7 | -67.1 | -19.2 | 0 | 0 | 0 | 111.8 | W174 T175 R293 F295 Q301 D313 | W174-N297 HydrophobicContact CB-CB 4.28Å; W174-N297 HydrophobicContact CD2-CB 4.22Å; W174-N297 HydrophobicContact CG-CB 3.91Å; W174-N297 WeakPolarHBondContact CZ2-ND2 3.32Å; W174-N297 CarbonylContact O-C 3.19Å; T175-N297 HydrophobicContact CG2-CB 4.49Å; R293-N297 PolarHBondContact NH1-OD1 3.31Å; R293-N297 PolarHBondContact NH2-OD1 3.39Å; R293-N297 VanDerWaalsContact O-CB 3.31Å; R293-N297 WeakPolarHBondContact O-CB 3.39Å; R293-N297 PolarHBondContact O-N 3.49Å; R293-N297 PolarHBondContact O-ND2 3.37Å; F295-N297 VanDerWaalsContact C-N 3.35Å; F295-N297 PolarHBondContact O-N 3.47Å; N297-Q301 WeakPolarHBondContact O-CA 3.46Å; N297-Q301 WeakPolarHBondContact O-CG 3.41Å; N297-Q301 PolarHBondContact O-N 3.49Å; N297-Q301 VanDerWaalsContact O-N 3.13Å; N297-D313 PolarHBondContact ND2-OD1 2.86Å |
| 298 | Q | 91 | Very high | 88.6 | Confident | 13 Ų | 13 | 67 Ų | 67 | 6% | 0.061 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -78.7 | -28.5 | -177 | -164.8 | 64.6 | 84.7 | 0 | 0 | 113.7 | W174 T176 A182 S185 Y186 V294 F295 | W174-Q298 WeakPolarHBondContact O-CA 3.16Å; W174-Q298 PolarHBondContact O-N 3.48Å; W174-Q298 VanDerWaalsContact O-N 3.13Å; W174-Q298 PolarHBondContact O-OE1 3.32Å; T176-Q298 PolarHBondContact O-NE2 3.17Å; A182-Q298 HydrophobicContact CB-CG 4.39Å; S185-Q298 VanDerWaalsContact CB-OE1 3.28Å; S185-Q298 PolarHBondContact OG-OE1 3.45Å; Y186-Q298 HydrophobicContact CD2-CG 4.23Å; Y186-Q298 HydrophobicContact CE1-CB 4.26Å; Y186-Q298 HydrophobicContact CE1-CG 4.02Å; Y186-Q298 HydrophobicContact CE2-CG 3.67Å; Y186-Q298 PolarHBondContact OH-O 3.37Å; Y186-Q298 VanDerWaalsContact OH-O 3.11Å; V294-Q298 WeakPolarHBondContact O-CB 3.39Å; V294-Q298 PolarHBondContact O-N 2.98Å; V294-Q298 VanDerWaalsContact O-N 3.13Å; F295-Q298 PolarHBondContact O-N 3.35Å |
| 299 | L | 91.3 | Very high | 87.9 | Confident | 92 Ų | 92 | 66.5 Ų | 66.5 | 48% | 0.482 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -86.6 | -41.3 | 178.3 | -72.8 | 165.6 | 0 | 0 | 0 | 113.8 | Y186 F295 | Y186-L299 HydrophobicContact CE1-CD2 3.86Å; Y186-L299 HydrophobicContact CE1-CG 3.94Å; Y186-L299 WeakPolarHBondContact OH-CD2 3.32Å; F295-L299 HydrophobicContact CB-CD1 4.23Å; F295-L299 HydrophobicContact CD1-CD1 4.27Å; F295-L299 VanDerWaalsContact O-CB 3.22Å; F295-L299 WeakPolarHBondContact O-CB 3.43Å; F295-L299 WeakPolarHBondContact O-CD1 3.42Å; F295-L299 VanDerWaalsContact O-CG 3.3Å; F295-L299 WeakPolarHBondContact O-CG 3.18Å; F295-L299 PolarHBondContact O-N 3.33Å |
| 300 | Y | 88 | Confident | 87.2 | Confident | 180 Ų | 180 | 70.3 Ų | 70.3 | 71% | 0.706 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -119.6 | -10.5 | -166.6 | -60.4 | -69 | 0 | 0 | 0 | 114.4 | V296 | V296-Y300 HydrophobicContact CG1-CD2 4.39Å; V296-Y300 WeakPolarHBondContact O-CB 3.16Å; V296-Y300 PolarHBondContact O-N 2.88Å |
| 301 | Q | 83.8 | Confident | 87 | Confident | 92 Ų | 92 | 70.2 Ų | 70.2 | 43% | 0.43 | 35% | 0.351 | S | S | . | . | trans | 40.4 | 56.6 | -179.4 | -65.2 | -179.1 | -1.4 | 0 | 0 | 113.1 | T175 N177 N297 | T175-Q301 PolarHBondContact O-NE2 2.69Å; N177-Q301 PolarHBondContact OD1-NE2 3.16Å; N297-Q301 WeakPolarHBondContact O-CA 3.46Å; N297-Q301 WeakPolarHBondContact O-CG 3.41Å; N297-Q301 PolarHBondContact O-N 3.49Å; N297-Q301 VanDerWaalsContact O-N 3.13Å | ||
| 302 | P | 82.4 | Confident | 86.7 | Confident | 54 Ų | 54 | 72.2 Ų | 72.2 | 35% | 0.351 | 37% | 0.365 | S | S | . | . | trans | -63 | 147.3 | -173.2 | 29.9 | -36.8 | 0 | 0 | 0 | 111.3 | V296 L304 | V296-P302 HydrophobicContact CG1-CG 4.15Å; P302-L304 PolarHBondContact O-N 3.47Å | ||
| 303 | S | 78.3 | Confident | 86.5 | Confident | 119 Ų | 119 | 69.5 Ų | 69.5 | 83% | 0.832 | 35% | 0.348 | S | S | * | . | trans | -53.2 | 126.6 | 175.4 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | E305 | S303-E305 PolarHBondContact O-N 3.24Å; S303-E305 VanDerWaalsContact O-N 3.13Å | ||
| 304 | L | 79.4 | Confident | 86.4 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | trans | -60 | 113 | -177.4 | 175.5 | 61.6 | 0 | 0 | 0 | 112.2 | Y165 P302 R306 | Y165-L304 HydrophobicContact CD1-CD1 4Å; Y165-L304 HydrophobicContact CD1-CD2 4.26Å; Y165-L304 HydrophobicContact CD1-CG 4.35Å; Y165-L304 HydrophobicContact CD2-CD2 3.92Å; Y165-L304 HydrophobicContact CG-CD1 4.09Å; Y165-L304 HydrophobicContact CG-CD2 3.76Å; Y165-L304 HydrophobicContact CG-CG 4.32Å; P302-L304 PolarHBondContact O-N 3.47Å; L304-R306 PolarHBondContact O-N 3.3Å | ||
| 305 | E | 81.8 | Confident | 86.3 | Confident | 81 Ų | 81 | 72.6 Ų | 72.6 | 38% | 0.379 | 36% | 0.364 | S | S | . | . | trans | -68.5 | 112.9 | 171.7 | -179 | 50.7 | -117.4 | 0 | 0 | 109.9 | S303 E307 K310 N311 | S303-E305 PolarHBondContact O-N 3.24Å; S303-E305 VanDerWaalsContact O-N 3.13Å; E305-E307 WeakPolarHBondContact OE1-CB 3.29Å; E305-E307 PolarHBondContact OE1-N 2.84Å; E305-K310 HydrophobicContact CG-CB 3.88Å; E305-N311 PolarHBondContact O-ND2 2.96Å | ||
| 306 | R | 80.6 | Confident | 86.3 | Confident | 194 Ų | 194 | 69.9 Ų | 69.9 | 73% | 0.732 | 35% | 0.352 | S | S | * | . | trans | -79.4 | -20.5 | -175.5 | -65.4 | -176.7 | -178.9 | -176.9 | -0.3 | 112.8 | Y165 L304 V308 | Y165-R306 PolarHBondContact OH-O 3.39Å; L304-R306 PolarHBondContact O-N 3.3Å; R306-V308 PolarHBondContact O-N 2.9Å | ||
| 307 | E | 81.6 | Confident | 86.2 | Confident | 90 Ų | 90 | 69 Ų | 69 | 42% | 0.421 | 35% | 0.346 | S | S | . | . | trans | -78.6 | 108.5 | 178.5 | -146.5 | -170.1 | 121.3 | 0 | 0 | 110.9 | E305 S309 K310 N311 | E305-E307 WeakPolarHBondContact OE1-CB 3.29Å; E305-E307 PolarHBondContact OE1-N 2.84Å; E307-S309 WeakPolarHBondContact CG-OG 3.26Å; E307-S309 PolarHBondContact O-N 2.87Å; E307-S309 PolarHBondContact OE1-OG 3.09Å; E307-K310 HydrophobicContact CB-CB 4.34Å; E307-K310 HydrophobicContact CB-CD 4.17Å; E307-K310 HydrophobicContact CB-CG 4.44Å; E307-K310 PolarHBondContact O-N 2.82Å; E307-K310 IonicContact OE1-NZ 3.56Å; E307-K310 WeakPolarHBondContact OE2-CE 3.4Å; E307-K310 IonicContact OE2-NZ 2.89Å; E307-K310 PolarHBondContact OE2-NZ 3.16Å; E307-N311 PolarHBondContact O-N 3Å | ||
| 308 | V | 78.9 | Confident | 86.3 | Confident | 59 Ų | 59 | 73.2 Ų | 73.2 | 36% | 0.358 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -17.6 | -176.1 | 175 | 0 | 0 | 0 | 0 | 114.4 | P166 R306 L314 R318 | P166-V308 HydrophobicContact CG-CG2 3.86Å; R306-V308 PolarHBondContact O-N 2.9Å; V308-L314 HydrophobicContact CG1-CD1 3.96Å; V308-R318 PolarHBondContact O-NH1 2.88Å |
| 309 | S | 78.6 | Confident | 86.4 | Confident | 64 Ų | 64 | 76 Ų | 76 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -42.3 | 170.6 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | E307 Q315 | E307-S309 WeakPolarHBondContact CG-OG 3.26Å; E307-S309 PolarHBondContact O-N 2.87Å; E307-S309 PolarHBondContact OE1-OG 3.09Å; S309-Q315 PolarHBondContact O-NE2 3.26Å |
| 310 | K | 83.3 | Confident | 86.5 | Confident | 120 Ų | 120 | 72.6 Ų | 72.6 | 52% | 0.522 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -21.2 | -173.3 | -65.4 | 171.4 | -174.8 | 161.9 | 0 | 113.1 | E305 E307 P312 | E305-K310 HydrophobicContact CG-CB 3.88Å; E307-K310 HydrophobicContact CB-CB 4.34Å; E307-K310 HydrophobicContact CB-CD 4.17Å; E307-K310 HydrophobicContact CB-CG 4.44Å; E307-K310 PolarHBondContact O-N 2.82Å; E307-K310 IonicContact OE1-NZ 3.56Å; E307-K310 WeakPolarHBondContact OE2-CE 3.4Å; E307-K310 IonicContact OE2-NZ 2.89Å; E307-K310 PolarHBondContact OE2-NZ 3.16Å; K310-P312 WeakPolarHBondContact O-CD 3.28Å; K310-P312 VanDerWaalsContact O-N 3.09Å |
| 311 | N | 88.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.011 | 35% | 0.346 | C | S | . | . | trans | -52.7 | 114.2 | -177.2 | -178.2 | -74.7 | 0 | 0 | 0 | 111 | E305 E307 D313 L314 Q315 | E305-N311 PolarHBondContact O-ND2 2.96Å; E307-N311 PolarHBondContact O-N 3Å; N311-D313 VanDerWaalsContact C-N 3.35Å; N311-D313 PolarHBondContact O-N 2.83Å; N311-D313 PolarHBondContact OD1-N 3.13Å; N311-L314 HydrophobicContact CB-CB 4.24Å; N311-L314 HydrophobicContact CB-CD1 3.99Å; N311-L314 PolarHBondContact O-N 3.31Å; N311-L314 PolarHBondContact OD1-N 3.33Å; N311-Q315 WeakPolarHBondContact O-CG 3.36Å; N311-Q315 PolarHBondContact O-N 3.16Å; N311-Q315 VanDerWaalsContact O-N 3.1Å | ||
| 312 | P | 89.6 | Confident | 87.1 | Confident | 47 Ų | 47 | 64.8 Ų | 64.8 | 31% | 0.305 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -76.3 | -22.1 | -167.8 | 30.3 | -36.9 | 0 | 0 | 0 | 113.1 | K310 A316 | K310-P312 WeakPolarHBondContact O-CD 3.28Å; K310-P312 VanDerWaalsContact O-N 3.09Å; P312-A316 WeakPolarHBondContact O-CB 3.32Å; P312-A316 PolarHBondContact O-N 2.9Å |
| 313 | D | 91.8 | Very high | 87.6 | Confident | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.08 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -71 | -45.5 | 174.8 | -55.3 | -65.8 | 0 | 0 | 0 | 110.8 | W169 W174 R293 N297 N311 Q315 A316 I317 | W169-D313 HydrophobicContact CH2-CB 4.21Å; W169-D313 HydrophobicContact CZ2-CB 3.93Å; W174-D313 HydrophobicContact CH2-CB 4.11Å; W174-D313 HydrophobicContact CZ2-CB 3.93Å; W174-D313 WeakPolarHBondContact CZ2-OD1 3.17Å; R293-D313 IonicContact CZ-OD1 2.73Å; R293-D313 IonicContact CZ-OD2 4Å; R293-D313 IonicContact NE-OD1 2.65Å; R293-D313 PolarHBondContact NE-OD1 3.13Å; R293-D313 IonicContact NE-OD2 2.94Å; R293-D313 IonicContact NH2-OD1 3.8Å; R293-D313 PolarHBondContact NH2-OD1 2.99Å; R293-D313 IonicContact NH2-OD2 3.19Å; R293-D313 PolarHBondContact NH2-OD2 3.12Å; N297-D313 PolarHBondContact ND2-OD1 2.86Å; N311-D313 VanDerWaalsContact C-N 3.35Å; N311-D313 PolarHBondContact O-N 2.83Å; N311-D313 PolarHBondContact OD1-N 3.13Å; D313-Q315 VanDerWaalsContact C-N 3.32Å; D313-Q315 PolarHBondContact O-N 3.37Å; D313-A316 PolarHBondContact O-N 3.32Å; D313-I317 WeakPolarHBondContact O-CG2 3.28Å; D313-I317 PolarHBondContact O-N 2.81Å |
| 314 | L | 90.7 | Very high | 88.2 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.058 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -38 | 171.8 | -85.1 | 167.1 | 0 | 0 | 0 | 112.6 | V308 N311 R318 | V308-L314 HydrophobicContact CG1-CD1 3.96Å; N311-L314 HydrophobicContact CB-CB 4.24Å; N311-L314 HydrophobicContact CB-CD1 3.99Å; N311-L314 PolarHBondContact O-N 3.31Å; N311-L314 PolarHBondContact OD1-N 3.33Å; L314-R318 VanDerWaalsContact O-CB 3.28Å; L314-R318 WeakPolarHBondContact O-CB 3.46Å; L314-R318 VanDerWaalsContact O-CD 3.27Å; L314-R318 WeakPolarHBondContact O-CD 3.49Å; L314-R318 WeakPolarHBondContact O-CG 3.28Å; L314-R318 PolarHBondContact O-N 3.22Å; L314-R318 VanDerWaalsContact O-N 3.16Å |
| 315 | Q | 91.9 | Very high | 88.8 | Confident | 88 Ų | 88 | 55 Ų | 55 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 172.9 | -70.1 | -178.8 | 9.3 | 0 | 0 | 111.3 | S309 N311 D313 R318 I319 | S309-Q315 PolarHBondContact O-NE2 3.26Å; N311-Q315 WeakPolarHBondContact O-CG 3.36Å; N311-Q315 PolarHBondContact O-N 3.16Å; N311-Q315 VanDerWaalsContact O-N 3.1Å; D313-Q315 VanDerWaalsContact C-N 3.32Å; D313-Q315 PolarHBondContact O-N 3.37Å; Q315-R318 PolarHBondContact O-N 2.93Å; Q315-I319 WeakPolarHBondContact O-CB 3.36Å; Q315-I319 WeakPolarHBondContact O-CD1 3.21Å; Q315-I319 VanDerWaalsContact O-CG1 3.25Å; Q315-I319 WeakPolarHBondContact O-CG1 3.29Å; Q315-I319 PolarHBondContact O-N 3.14Å |
| 316 | A | 94.2 | Very high | 89.2 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P289 R293 P312 D313 I319 A320 | P289-A316 HydrophobicContact CB-CB 3.99Å; R293-A316 HydrophobicContact CG-CB 3.78Å; P312-A316 WeakPolarHBondContact O-CB 3.32Å; P312-A316 PolarHBondContact O-N 2.9Å; D313-A316 PolarHBondContact O-N 3.32Å; A316-I319 PolarHBondContact O-N 2.88Å; A316-A320 PolarHBondContact O-N 3.07Å |
| 317 | I | 92.6 | Very high | 89.5 | Confident | 25 Ų | 25 | 45.3 Ų | 45.3 | 13% | 0.128 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.4 | -32.6 | 178.6 | -164.2 | 63.4 | 0 | 0 | 0 | 112.5 | L99 W169 L290 D313 A320 S321 | L99-I317 HydrophobicContact CD1-CD1 4.45Å; L99-I317 HydrophobicContact CD2-CD1 4.39Å; W169-I317 HydrophobicContact CD2-CG2 4.4Å; W169-I317 HydrophobicContact CE3-CB 4.43Å; W169-I317 HydrophobicContact CE3-CG1 4.09Å; W169-I317 HydrophobicContact CE3-CG2 4.26Å; W169-I317 HydrophobicContact CH2-CB 4.44Å; W169-I317 HydrophobicContact CH2-CG2 4.37Å; W169-I317 HydrophobicContact CZ3-CB 4.11Å; W169-I317 HydrophobicContact CZ3-CD1 4.45Å; W169-I317 HydrophobicContact CZ3-CG1 4.05Å; W169-I317 HydrophobicContact CZ3-CG2 4.24Å; L290-I317 HydrophobicContact CD1-CD1 4.16Å; L290-I317 HydrophobicContact CD2-CD1 4.24Å; D313-I317 WeakPolarHBondContact O-CG2 3.28Å; D313-I317 PolarHBondContact O-N 2.81Å; I317-A320 PolarHBondContact O-N 2.95Å; I317-S321 PolarHBondContact O-N 3.29Å; I317-S321 PolarHBondContact O-OG 3.46Å |
| 318 | R | 93.1 | Very high | 89.8 | Confident | 95 Ų | 95 | 41 Ų | 41 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.2 | -38.1 | 171.2 | -74.7 | 169.4 | -178.4 | 152.1 | 1.7 | 112.3 | V308 L314 Q315 S321 V322 | V308-R318 PolarHBondContact O-NH1 2.88Å; L314-R318 VanDerWaalsContact O-CB 3.28Å; L314-R318 WeakPolarHBondContact O-CB 3.46Å; L314-R318 VanDerWaalsContact O-CD 3.27Å; L314-R318 WeakPolarHBondContact O-CD 3.49Å; L314-R318 WeakPolarHBondContact O-CG 3.28Å; L314-R318 PolarHBondContact O-N 3.22Å; L314-R318 VanDerWaalsContact O-N 3.16Å; Q315-R318 PolarHBondContact O-N 2.93Å; R318-S321 PolarHBondContact O-N 3.14Å; R318-S321 PolarHBondContact O-OG 2.92Å; R318-S321 VanDerWaalsContact O-OG 3.12Å; R318-V322 WeakPolarHBondContact O-CG2 3.27Å; R318-V322 PolarHBondContact O-N 3.32Å |
| 319 | I | 94.3 | Very high | 90.1 | Very high | 70 Ų | 70 | 42.6 Ų | 42.6 | 36% | 0.359 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.8 | -41.5 | 176.1 | -74 | 164.3 | 0 | 0 | 0 | 110.3 | C286 P289 Q315 A316 S321 V322 | C286-I319 HydrophobicContact CB-CG2 4.48Å; P289-I319 HydrophobicContact CG-CG2 4.13Å; Q315-I319 WeakPolarHBondContact O-CB 3.36Å; Q315-I319 WeakPolarHBondContact O-CD1 3.21Å; Q315-I319 VanDerWaalsContact O-CG1 3.25Å; Q315-I319 WeakPolarHBondContact O-CG1 3.29Å; Q315-I319 PolarHBondContact O-N 3.14Å; A316-I319 PolarHBondContact O-N 2.88Å; I319-S321 PolarHBondContact O-N 3.42Å; I319-V322 PolarHBondContact O-N 3.33Å |
| 320 | A | 93.3 | Very high | 90.4 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 17% | 0.174 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.3 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C286 L290 A316 I317 V322 N323 | C286-A320 WeakPolarHBondContact O-CA 3.39Å; L290-A320 HydrophobicContact CD2-CB 4.18Å; A316-A320 PolarHBondContact O-N 3.07Å; I317-A320 PolarHBondContact O-N 2.95Å; A320-V322 PolarHBondContact O-N 3Å; A320-N323 WeakPolarHBondContact O-CB 3.49Å; A320-N323 PolarHBondContact O-N 2.99Å; A320-N323 VanDerWaalsContact O-N 3.11Å |
| 321 | S | 92.3 | Very high | 90.1 | Very high | 57 Ų | 57 | 35.8 Ų | 35.8 | 40% | 0.399 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -72.2 | -8.2 | -179 | 70.4 | 0 | 0 | 0 | 0 | 115 | I317 R318 I319 | I317-S321 PolarHBondContact O-N 3.29Å; I317-S321 PolarHBondContact O-OG 3.46Å; R318-S321 PolarHBondContact O-N 3.14Å; R318-S321 PolarHBondContact O-OG 2.92Å; R318-S321 VanDerWaalsContact O-OG 3.12Å; I319-S321 PolarHBondContact O-N 3.42Å |
| 322 | V | 92.6 | Very high | 89.6 | Confident | 52 Ų | 52 | 37.3 Ų | 37.3 | 32% | 0.315 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -20.5 | 170.1 | 170.2 | 0 | 0 | 0 | 0 | 112.1 | M27 R318 I319 A320 I325 L326 | M27-V322 HydrophobicContact CE-CG2 3.91Å; R318-V322 WeakPolarHBondContact O-CG2 3.27Å; R318-V322 PolarHBondContact O-N 3.32Å; I319-V322 PolarHBondContact O-N 3.33Å; A320-V322 PolarHBondContact O-N 3Å; V322-I325 WeakPolarHBondContact O-CB 3.45Å; V322-I325 PolarHBondContact O-N 3.24Å; V322-I325 VanDerWaalsContact O-N 3.12Å; V322-L326 HydrophobicContact CG1-CD1 3.69Å; V322-L326 HydrophobicContact CG1-CG 3.8Å; V322-L326 PolarHBondContact O-N 3.3Å |
| 323 | N | 92.5 | Very high | 88.9 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56 | -52 | -176 | -167.1 | 84.4 | 0 | 0 | 0 | 114.1 | V283 C286 A320 I325 L326 D327 | V283-N323 VanDerWaalsContact CA-OD1 3.27Å; V283-N323 WeakPolarHBondContact CA-OD1 3.46Å; V283-N323 WeakPolarHBondContact CG2-OD1 3.1Å; C286-N323 HydrophobicContact CB-CB 3.79Å; A320-N323 WeakPolarHBondContact O-CB 3.49Å; A320-N323 PolarHBondContact O-N 2.99Å; A320-N323 VanDerWaalsContact O-N 3.11Å; N323-I325 PolarHBondContact O-N 3.2Å; N323-L326 PolarHBondContact O-N 3.15Å; N323-D327 PolarHBondContact ND2-OD2 3.24Å; N323-D327 PolarHBondContact O-N 3.01Å |
| 324 | P | 91 | Very high | 87.9 | Confident | 24 Ų | 24 | 41 Ų | 41 | 16% | 0.156 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63 | -17.5 | -178.6 | -22.8 | 36.7 | 0 | 0 | 0 | 113.5 | N35 D65 T69 P328 | N35-P324 PolarHBondContact ND2-O 3.04Å; D65-P324 HydrophobicContact CB-CB 3.92Å; T69-P324 WeakPolarHBondContact OG1-CB 3.34Å; P324-P328 VanDerWaalsContact O-CD 3.3Å; P324-P328 WeakPolarHBondContact O-CD 3.28Å |
| 325 | I | 91.6 | Very high | 87.1 | Confident | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.128 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -80.5 | -42.7 | 175.9 | -50.6 | 174.9 | 0 | 0 | 0 | 110 | M27 F30 V322 N323 P328 | M27-I325 HydrophobicContact CB-CD1 3.7Å; M27-I325 HydrophobicContact CE-CD1 3.7Å; M27-I325 HydrophobicContact CG-CD1 3.75Å; F30-I325 HydrophobicContact CB-CG2 3.95Å; V322-I325 WeakPolarHBondContact O-CB 3.45Å; V322-I325 PolarHBondContact O-N 3.24Å; V322-I325 VanDerWaalsContact O-N 3.12Å; N323-I325 PolarHBondContact O-N 3.2Å; I325-P328 WeakPolarHBondContact O-CG 3.39Å |
| 326 | L | 90.5 | Very high | 85.7 | Confident | 70 Ų | 70 | 45.2 Ų | 45.2 | 37% | 0.366 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -76.1 | -46.4 | -172.7 | -68.6 | 179.2 | 0 | 0 | 0 | 113.1 | V282 V322 N323 W329 I330 | V282-L326 HydrophobicContact CG1-CB 3.82Å; V282-L326 HydrophobicContact CG1-CD1 3.69Å; V282-L326 HydrophobicContact CG1-CG 4.42Å; V322-L326 HydrophobicContact CG1-CD1 3.69Å; V322-L326 HydrophobicContact CG1-CG 3.8Å; V322-L326 PolarHBondContact O-N 3.3Å; N323-L326 PolarHBondContact O-N 3.15Å; L326-W329 WeakPolarHBondContact O-CA 3.46Å; L326-W329 WeakPolarHBondContact O-CB 3.44Å; L326-W329 PolarHBondContact O-N 3.25Å; L326-I330 WeakPolarHBondContact O-CG1 3.46Å; L326-I330 PolarHBondContact O-N 2.95Å; L326-I330 VanDerWaalsContact O-N 3.11Å |
| 327 | D | 86.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -49.1 | -49.9 | -175.3 | -86.2 | -42.8 | 0 | 0 | 0 | 114.6 | T279 V283 N323 W329 I330 Y331 | T279-D327 WeakPolarHBondContact CB-OD1 3.4Å; V283-D327 WeakPolarHBondContact CG2-OD2 3.33Å; N323-D327 PolarHBondContact ND2-OD2 3.24Å; N323-D327 PolarHBondContact O-N 3.01Å; D327-W329 VanDerWaalsContact C-N 3.29Å; D327-W329 PolarHBondContact O-N 2.88Å; D327-I330 WeakPolarHBondContact O-CB 3.25Å; D327-I330 PolarHBondContact O-N 3.2Å; D327-Y331 HydrophobicContact CB-CE2 4.29Å; D327-Y331 WeakPolarHBondContact O-CD2 3.32Å; D327-Y331 PolarHBondContact O-N 3.28Å; D327-Y331 VanDerWaalsContact O-N 3.17Å |
| 328 | P | 87.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.5 | -36.8 | 175.5 | 21.3 | -33.7 | 0 | 0 | 0 | 113.9 | G34 N35 A38 P324 I325 Y331 I332 | G34-P328 VanDerWaalsContact O-CB 3.28Å; G34-P328 WeakPolarHBondContact O-CB 3.37Å; N35-P328 WeakPolarHBondContact OD1-CD 3.21Å; A38-P328 HydrophobicContact CB-CB 3.82Å; P324-P328 VanDerWaalsContact O-CD 3.3Å; P324-P328 WeakPolarHBondContact O-CD 3.28Å; I325-P328 WeakPolarHBondContact O-CG 3.39Å; P328-Y331 PolarHBondContact O-N 2.98Å; P328-I332 WeakPolarHBondContact O-CB 3.4Å; P328-I332 WeakPolarHBondContact O-CD1 3.46Å; P328-I332 WeakPolarHBondContact O-CG1 3.5Å; P328-I332 PolarHBondContact O-N 2.98Å |
| 329 | W | 85.1 | Confident | 81.6 | Confident | 93 Ų | 93 | 49 Ų | 49 | 35% | 0.352 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.9 | -32.5 | 176.4 | -63.2 | 111.7 | 0 | 0 | 0 | 112.4 | F30 L326 D327 I332 L333 | F30-W329 HydrophobicContact CD1-CZ2 4.01Å; F30-W329 HydrophobicContact CE1-CZ2 4.34Å; L326-W329 WeakPolarHBondContact O-CA 3.46Å; L326-W329 WeakPolarHBondContact O-CB 3.44Å; L326-W329 PolarHBondContact O-N 3.25Å; D327-W329 VanDerWaalsContact C-N 3.29Å; D327-W329 PolarHBondContact O-N 2.88Å; W329-I332 HydrophobicContact CE3-CD1 4.24Å; W329-I332 HydrophobicContact CZ3-CD1 4.44Å; W329-I332 PolarHBondContact O-N 3.33Å; W329-L333 HydrophobicContact CB-CD1 4.31Å; W329-L333 VanDerWaalsContact O-CB 3.24Å; W329-L333 WeakPolarHBondContact O-CB 3.3Å; W329-L333 WeakPolarHBondContact O-CG 3.36Å; W329-L333 PolarHBondContact O-N 3.44Å |
| 330 | I | 85.7 | Confident | 80.1 | Confident | 21 Ų | 21 | 49 Ų | 49 | 11% | 0.108 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61 | -47.2 | 173.4 | -55.5 | 169.7 | 0 | 0 | 0 | 109.6 | L275 A278 T279 V282 L326 D327 I332 L334 | L275-I330 HydrophobicContact CD1-CG2 3.95Å; A278-I330 HydrophobicContact CB-CG2 3.58Å; T279-I330 HydrophobicContact CG2-CB 4.06Å; T279-I330 HydrophobicContact CG2-CD1 4.15Å; T279-I330 HydrophobicContact CG2-CG2 3.69Å; V282-I330 HydrophobicContact CB-CD1 3.75Å; V282-I330 HydrophobicContact CG1-CD1 4.14Å; V282-I330 HydrophobicContact CG2-CD1 3.57Å; L326-I330 WeakPolarHBondContact O-CG1 3.46Å; L326-I330 PolarHBondContact O-N 2.95Å; L326-I330 VanDerWaalsContact O-N 3.11Å; D327-I330 WeakPolarHBondContact O-CB 3.25Å; D327-I330 PolarHBondContact O-N 3.2Å; I330-I332 PolarHBondContact O-N 3.1Å; I330-L334 HydrophobicContact CG2-CD1 3.62Å; I330-L334 HydrophobicContact CG2-CG 4.34Å; I330-L334 VanDerWaalsContact O-CB 3.29Å; I330-L334 WeakPolarHBondContact O-CB 3.44Å; I330-L334 WeakPolarHBondContact O-CG 3.13Å; I330-L334 PolarHBondContact O-N 2.78Å; I330-L334 VanDerWaalsContact O-N 3.07Å |
| 331 | Y | 77.4 | Confident | 78.9 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 8% | 0.075 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 175.4 | -66 | -64.8 | 0 | 0 | 0 | 113.1 | V58 L275 T279 D327 P328 R335 | V58-Y331 HydrophobicContact CB-CE1 4.09Å; V58-Y331 HydrophobicContact CG1-CD1 3.62Å; V58-Y331 HydrophobicContact CG1-CD2 4.5Å; V58-Y331 HydrophobicContact CG1-CE1 3.24Å; V58-Y331 HydrophobicContact CG1-CE2 4.17Å; V58-Y331 HydrophobicContact CG1-CG 4.29Å; V58-Y331 HydrophobicContact CG2-CE1 3.7Å; L275-Y331 HydrophobicContact CD1-CD1 3.48Å; L275-Y331 VanDerWaalsContact CD1-CD1 3.48Å; L275-Y331 HydrophobicContact CD1-CE1 3.73Å; L275-Y331 HydrophobicContact CD1-CG 4.28Å; L275-Y331 HydrophobicContact CD2-CD1 3.59Å; L275-Y331 HydrophobicContact CD2-CE1 3.81Å; L275-Y331 HydrophobicContact CG-CD1 3.86Å; L275-Y331 HydrophobicContact CG-CE1 3.82Å; T279-Y331 HydrophobicContact CG2-CE1 3.91Å; T279-Y331 HydrophobicContact CG2-CE2 4.1Å; D327-Y331 HydrophobicContact CB-CE2 4.29Å; D327-Y331 WeakPolarHBondContact O-CD2 3.32Å; D327-Y331 PolarHBondContact O-N 3.28Å; D327-Y331 VanDerWaalsContact O-N 3.17Å; P328-Y331 PolarHBondContact O-N 2.98Å; Y331-R335 PolarHBondContact O-N 2.98Å |
| 332 | I | 76.8 | Confident | 77.5 | Confident | 34 Ų | 34 | 54.1 Ų | 54.1 | 17% | 0.174 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.1 | -46.8 | -177.5 | -68.9 | 163.3 | 0 | 0 | 0 | 111.6 | V37 P328 W329 I330 R335 | V37-I332 HydrophobicContact CB-CD1 4.44Å; V37-I332 HydrophobicContact CG1-CD1 3.85Å; P328-I332 WeakPolarHBondContact O-CB 3.4Å; P328-I332 WeakPolarHBondContact O-CD1 3.46Å; P328-I332 WeakPolarHBondContact O-CG1 3.5Å; P328-I332 PolarHBondContact O-N 2.98Å; W329-I332 HydrophobicContact CE3-CD1 4.24Å; W329-I332 HydrophobicContact CZ3-CD1 4.44Å; W329-I332 PolarHBondContact O-N 3.33Å; I330-I332 PolarHBondContact O-N 3.1Å; I332-R335 VanDerWaalsContact O-CB 3.32Å; I332-R335 WeakPolarHBondContact O-CB 3.48Å; I332-R335 PolarHBondContact O-N 3.45Å |
| 333 | L | 74.8 | Confident | 76.3 | Confident | 101 Ų | 101 | 55.3 Ų | 55.3 | 53% | 0.529 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -73.9 | -38.3 | -175.2 | -66.2 | 170.8 | 0 | 0 | 0 | 112.6 | W329 R335 | W329-L333 HydrophobicContact CB-CD1 4.31Å; W329-L333 VanDerWaalsContact O-CB 3.24Å; W329-L333 WeakPolarHBondContact O-CB 3.3Å; W329-L333 WeakPolarHBondContact O-CG 3.36Å; W329-L333 PolarHBondContact O-N 3.44Å; L333-R335 PolarHBondContact O-N 3.43Å |
| 334 | L | 71.6 | Confident | 75.4 | Confident | 38 Ų | 38 | 60.4 Ų | 60.4 | 20% | 0.199 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 1.4 | 177 | -59.6 | -179.3 | 0 | 0 | 0 | 113.3 | Q271 I274 L275 A278 I330 K336 | Q271-L334 PolarHBondContact NE2-O 2.99Å; I274-L334 HydrophobicContact CG2-CD1 4.42Å; L275-L334 HydrophobicContact CD1-CB 4.43Å; L275-L334 HydrophobicContact CD1-CD1 4.14Å; A278-L334 HydrophobicContact CB-CD1 3.55Å; I330-L334 HydrophobicContact CG2-CD1 3.62Å; I330-L334 HydrophobicContact CG2-CG 4.34Å; I330-L334 VanDerWaalsContact O-CB 3.29Å; I330-L334 WeakPolarHBondContact O-CB 3.44Å; I330-L334 WeakPolarHBondContact O-CG 3.13Å; I330-L334 PolarHBondContact O-N 2.78Å; I330-L334 VanDerWaalsContact O-N 3.07Å; L334-K336 PolarHBondContact O-N 3.28Å |
| 335 | R | 73 | Confident | 74.4 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 35% | 0.347 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -65.1 | 124.4 | 172.7 | -165 | 176.6 | -169 | -157.3 | 1.7 | 109.8 | Y331 I332 L333 T337 V338 L339 | Y331-R335 PolarHBondContact O-N 2.98Å; I332-R335 VanDerWaalsContact O-CB 3.32Å; I332-R335 WeakPolarHBondContact O-CB 3.48Å; I332-R335 PolarHBondContact O-N 3.45Å; L333-R335 PolarHBondContact O-N 3.43Å; R335-T337 PolarHBondContact O-N 3.41Å; R335-V338 HydrophobicContact CB-CG2 4.49Å; R335-V338 WeakPolarHBondContact O-CA 3.42Å; R335-V338 PolarHBondContact O-N 2.7Å; R335-L339 PolarHBondContact O-N 3.27Å |
| 336 | K | 64.4 | Low | 73.6 | Confident | 97 Ų | 97 | 69.2 Ų | 69.2 | 42% | 0.422 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -38 | -44.8 | -176.7 | -152.1 | 168.4 | -171.3 | 150.4 | 0 | 115.7 | G267 Q271 L334 S340 | G267-K336 PolarHBondContact O-NZ 2.75Å; Q271-K336 VanDerWaalsContact NE2-N 3.14Å; L334-K336 PolarHBondContact O-N 3.28Å; K336-S340 VanDerWaalsContact O-CB 3.23Å; K336-S340 WeakPolarHBondContact O-CB 3.49Å; K336-S340 PolarHBondContact O-N 2.94Å; K336-S340 PolarHBondContact O-OG 2.74Å |
| 337 | T | 66.9 | Low | 72.8 | Confident | 88 Ų | 88 | 72.4 Ų | 72.4 | 54% | 0.54 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.2 | -33.5 | -178.5 | 46.9 | 0 | 0 | 0 | 0 | 113.7 | R335 K341 | R335-T337 PolarHBondContact O-N 3.41Å; T337-K341 WeakPolarHBondContact O-CG 3.05Å |
| 338 | V | 64.7 | Low | 71.9 | Confident | 57 Ų | 57 | 76.1 Ų | 76.1 | 35% | 0.345 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -77.5 | -51.6 | 173 | -178.9 | 0 | 0 | 0 | 0 | 109 | R335 S340 K341 A342 | R335-V338 HydrophobicContact CB-CG2 4.49Å; R335-V338 WeakPolarHBondContact O-CA 3.42Å; R335-V338 PolarHBondContact O-N 2.7Å; V338-S340 PolarHBondContact O-N 2.81Å; V338-K341 PolarHBondContact O-N 3.38Å; V338-K341 VanDerWaalsContact O-N 3.15Å; V338-A342 WeakPolarHBondContact O-CB 3.22Å; V338-A342 PolarHBondContact O-N 3.48Å |
| 339 | L | 61.5 | Low | 71 | Confident | 57 Ų | 57 | 80.9 Ų | 80.9 | 30% | 0.298 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.7 | -41.1 | -178.8 | -175.1 | 61.2 | 0 | 0 | 0 | 112.9 | R335 A342 I343 | R335-L339 PolarHBondContact O-N 3.27Å; L339-A342 PolarHBondContact O-N 3.23Å; L339-I343 HydrophobicContact CD1-CD1 3.92Å; L339-I343 HydrophobicContact CD1-CG1 4.25Å; L339-I343 HydrophobicContact CG-CD1 3.86Å; L339-I343 WeakPolarHBondContact O-CB 3.47Å; L339-I343 VanDerWaalsContact O-CG1 3.23Å; L339-I343 WeakPolarHBondContact O-CG1 3.31Å; L339-I343 PolarHBondContact O-N 3.35Å |
| 340 | S | 62.8 | Low | 70.2 | Confident | 69 Ų | 69 | 83.5 Ų | 83.5 | 48% | 0.483 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 175.2 | -67 | 0 | 0 | 0 | 0 | 112.3 | K336 V338 I343 E344 | K336-S340 VanDerWaalsContact O-CB 3.23Å; K336-S340 WeakPolarHBondContact O-CB 3.49Å; K336-S340 PolarHBondContact O-N 2.94Å; K336-S340 PolarHBondContact O-OG 2.74Å; V338-S340 PolarHBondContact O-N 2.81Å; S340-I343 PolarHBondContact O-N 2.73Å; S340-E344 VanDerWaalsContact O-CB 3.31Å; S340-E344 WeakPolarHBondContact O-CB 3.22Å; S340-E344 PolarHBondContact O-N 2.94Å |
| 341 | K | 67.6 | Low | 69.3 | Low | 145 Ų | 145 | 87.1 Ų | 87.1 | 63% | 0.63 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.6 | -37.5 | 176.4 | -73.4 | -178.9 | 175.5 | -173 | 0 | 112.1 | T337 V338 E344 K345 | T337-K341 WeakPolarHBondContact O-CG 3.05Å; V338-K341 PolarHBondContact O-N 3.38Å; V338-K341 VanDerWaalsContact O-N 3.15Å; K341-E344 PolarHBondContact O-N 3.46Å; K341-K345 WeakPolarHBondContact O-CB 3.5Å; K341-K345 VanDerWaalsContact O-CG 3.31Å; K341-K345 WeakPolarHBondContact O-CG 3.31Å; K341-K345 PolarHBondContact O-N 3.47Å |
| 342 | A | 62.8 | Low | 68.7 | Low | 41 Ų | 41 | 95.9 Ų | 95.9 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.2 | -48.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V338 L339 E344 K345 I346 | V338-A342 WeakPolarHBondContact O-CB 3.22Å; V338-A342 PolarHBondContact O-N 3.48Å; L339-A342 PolarHBondContact O-N 3.23Å; A342-E344 VanDerWaalsContact C-N 3.3Å; A342-E344 PolarHBondContact O-N 3.35Å; A342-K345 PolarHBondContact O-N 3.43Å; A342-I346 WeakPolarHBondContact O-CB 3.34Å; A342-I346 WeakPolarHBondContact O-CD1 3.33Å; A342-I346 WeakPolarHBondContact O-CG1 3.21Å; A342-I346 PolarHBondContact O-N 3.38Å |
| 343 | I | 67.8 | Low | 68 | Low | 76 Ų | 76 | 99.7 Ų | 99.7 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -37.9 | 176.2 | -71.2 | 168.8 | 0 | 0 | 0 | 111.4 | L339 S340 K347 | L339-I343 HydrophobicContact CD1-CD1 3.92Å; L339-I343 HydrophobicContact CD1-CG1 4.25Å; L339-I343 HydrophobicContact CG-CD1 3.86Å; L339-I343 WeakPolarHBondContact O-CB 3.47Å; L339-I343 VanDerWaalsContact O-CG1 3.23Å; L339-I343 WeakPolarHBondContact O-CG1 3.31Å; L339-I343 PolarHBondContact O-N 3.35Å; S340-I343 PolarHBondContact O-N 2.73Å; I343-K347 HydrophobicContact CG2-CD 4.12Å; I343-K347 WeakPolarHBondContact O-CB 3.36Å; I343-K347 VanDerWaalsContact O-CG 3.26Å; I343-K347 WeakPolarHBondContact O-CG 3.47Å; I343-K347 PolarHBondContact O-N 3.16Å |
| 344 | E | 73.1 | Confident | 67.1 | Low | 122 Ų | 122 | 97.3 Ų | 97.3 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63 | -50.9 | 174.3 | -177 | 174 | -145.4 | 0 | 0 | 111.6 | S340 K341 A342 I346 K347 C348 | S340-E344 VanDerWaalsContact O-CB 3.31Å; S340-E344 WeakPolarHBondContact O-CB 3.22Å; S340-E344 PolarHBondContact O-N 2.94Å; K341-E344 PolarHBondContact O-N 3.46Å; A342-E344 VanDerWaalsContact C-N 3.3Å; A342-E344 PolarHBondContact O-N 3.35Å; E344-I346 PolarHBondContact O-N 3.13Å; E344-K347 PolarHBondContact O-N 3.35Å; E344-C348 PolarHBondContact O-N 3.13Å; E344-C348 PolarHBondContact O-SG 3.13Å; E344-C348 VanDerWaalsContact O-SG 3.33Å |
| 345 | K | 69.7 | Low | 66.2 | Low | 149 Ų | 149 | 97.6 Ų | 97.6 | 65% | 0.648 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.5 | -40.9 | 175.7 | -69.8 | -68.6 | -177.3 | -178.6 | 0 | 112.7 | K341 A342 C348 L349 | K341-K345 WeakPolarHBondContact O-CB 3.5Å; K341-K345 VanDerWaalsContact O-CG 3.31Å; K341-K345 WeakPolarHBondContact O-CG 3.31Å; K341-K345 PolarHBondContact O-N 3.47Å; A342-K345 PolarHBondContact O-N 3.43Å; K345-C348 PolarHBondContact O-N 2.91Å; K345-L349 WeakPolarHBondContact O-CG 3.3Å; K345-L349 PolarHBondContact O-N 2.89Å |
| 346 | I | 75.9 | Confident | 64.9 | Low | 85 Ų | 85 | 98 Ų | 98 | 44% | 0.436 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 175.8 | -71.4 | 165.1 | 0 | 0 | 0 | 110.5 | A342 E344 L349 F350 | A342-I346 WeakPolarHBondContact O-CB 3.34Å; A342-I346 WeakPolarHBondContact O-CD1 3.33Å; A342-I346 WeakPolarHBondContact O-CG1 3.21Å; A342-I346 PolarHBondContact O-N 3.38Å; E344-I346 PolarHBondContact O-N 3.13Å; I346-L349 WeakPolarHBondContact O-CB 3.21Å; I346-L349 PolarHBondContact O-N 3.11Å; I346-F350 HydrophobicContact CG2-CD2 3.71Å; I346-F350 HydrophobicContact CG2-CE2 3.8Å; I346-F350 WeakPolarHBondContact O-CD2 3.42Å; I346-F350 PolarHBondContact O-N 2.85Å |
| 347 | K | 73.8 | Confident | 63.8 | Low | 136 Ų | 136 | 104.9 Ų | 104.9 | 59% | 0.591 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.1 | -44.2 | 173.3 | -77.1 | 173.7 | 179.1 | -177.3 | 0 | 111.9 | I343 E344 L349 F350 C351 | I343-K347 HydrophobicContact CG2-CD 4.12Å; I343-K347 WeakPolarHBondContact O-CB 3.36Å; I343-K347 VanDerWaalsContact O-CG 3.26Å; I343-K347 WeakPolarHBondContact O-CG 3.47Å; I343-K347 PolarHBondContact O-N 3.16Å; E344-K347 PolarHBondContact O-N 3.35Å; K347-L349 VanDerWaalsContact C-N 3.31Å; K347-L349 PolarHBondContact O-N 3.41Å; K347-F350 PolarHBondContact O-N 3.25Å; K347-C351 WeakPolarHBondContact O-CB 3.33Å; K347-C351 PolarHBondContact O-N 2.58Å; K347-C351 PolarHBondContact O-SG 2.99Å |
| 348 | C | 67.9 | Low | 62.8 | Low | 79 Ų | 79 | 111.3 Ų | 111.3 | 53% | 0.534 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.5 | -40.1 | 173.9 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | E344 K345 C351 R352 | E344-C348 PolarHBondContact O-N 3.13Å; E344-C348 PolarHBondContact O-SG 3.13Å; E344-C348 VanDerWaalsContact O-SG 3.33Å; K345-C348 PolarHBondContact O-N 2.91Å; C348-C351 PolarHBondContact O-N 2.87Å; C348-R352 WeakPolarHBondContact O-CB 3.19Å; C348-R352 PolarHBondContact O-N 3.21Å |
| 349 | L | 67.3 | Low | 61.7 | Low | 99 Ų | 99 | 117.4 Ų | 117.4 | 52% | 0.518 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.7 | -48.1 | 174.7 | -74.3 | 165.4 | 0 | 0 | 0 | 111.7 | K345 I346 K347 C351 R352 I353 | K345-L349 WeakPolarHBondContact O-CG 3.3Å; K345-L349 PolarHBondContact O-N 2.89Å; I346-L349 WeakPolarHBondContact O-CB 3.21Å; I346-L349 PolarHBondContact O-N 3.11Å; K347-L349 VanDerWaalsContact C-N 3.31Å; K347-L349 PolarHBondContact O-N 3.41Å; L349-C351 PolarHBondContact O-N 2.99Å; L349-R352 PolarHBondContact O-N 2.88Å; L349-I353 WeakPolarHBondContact O-CB 3.37Å; L349-I353 VanDerWaalsContact O-CG1 3.27Å; L349-I353 WeakPolarHBondContact O-CG1 3.45Å; L349-I353 PolarHBondContact O-N 3.06Å |
| 350 | F | 69.6 | Low | 60.6 | Low | 148 Ų | 148 | 126.7 Ų | 126.7 | 65% | 0.649 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.9 | -35.2 | 176.3 | -85.3 | -72.9 | 0 | 0 | 0 | 113.1 | I346 K347 G354 | I346-F350 HydrophobicContact CG2-CD2 3.71Å; I346-F350 HydrophobicContact CG2-CE2 3.8Å; I346-F350 WeakPolarHBondContact O-CD2 3.42Å; I346-F350 PolarHBondContact O-N 2.85Å; K347-F350 PolarHBondContact O-N 3.25Å; F350-G354 PolarHBondContact O-N 3.24Å |
| 351 | C | 65.9 | Low | 59.2 | Low | 97 Ų | 97 | 129.1 Ų | 129.1 | 66% | 0.655 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.5 | -41.9 | 171.7 | -71 | 0 | 0 | 0 | 0 | 111.9 | K347 C348 L349 G355 | K347-C351 WeakPolarHBondContact O-CB 3.33Å; K347-C351 PolarHBondContact O-N 2.58Å; K347-C351 PolarHBondContact O-SG 2.99Å; C348-C351 PolarHBondContact O-N 2.87Å; L349-C351 PolarHBondContact O-N 2.99Å; C351-G355 PolarHBondContact O-N 2.94Å |
| 352 | R | 64.7 | Low | 57.7 | Low | 204 Ų | 204 | 125.4 Ų | 125.4 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.4 | -41.7 | 176.7 | 175.6 | 172.5 | 156.8 | 137 | -5.6 | 112.3 | C348 L349 S356 | C348-R352 WeakPolarHBondContact O-CB 3.19Å; C348-R352 PolarHBondContact O-N 3.21Å; L349-R352 PolarHBondContact O-N 2.88Å; R352-S356 PolarHBondContact O-N 2.86Å |
| 353 | I | 63.1 | Low | 56.3 | Low | 114 Ų | 114 | 132.4 Ų | 132.4 | 59% | 0.585 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68.9 | -41.6 | 176.5 | -67.4 | 163.9 | 0 | 0 | 0 | 110.8 | L349 | L349-I353 WeakPolarHBondContact O-CB 3.37Å; L349-I353 VanDerWaalsContact O-CG1 3.27Å; L349-I353 WeakPolarHBondContact O-CG1 3.45Å; L349-I353 PolarHBondContact O-N 3.06Å |
| 354 | G | 55.9 | Low | 54.5 | Low | 51 Ų | 51 | 136.9 Ų | 136.9 | 53% | 0.526 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -68.7 | -36.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F350 | F350-G354 PolarHBondContact O-N 3.24Å |
| 355 | G | 51 | Low | 52.3 | Low | 44 Ų | 44 | 137.4 Ų | 137.4 | 45% | 0.454 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -63.2 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | C351 R357 R358 | C351-G355 PolarHBondContact O-N 2.94Å; G355-R357 PolarHBondContact O-N 3.13Å; G355-R358 PolarHBondContact O-N 3.01Å; G355-R358 VanDerWaalsContact O-N 3.07Å |
| 356 | S | 46.1 | Very low | 50.5 | Low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -5.6 | -177.5 | -166.2 | 0 | 0 | 0 | 0 | 115.3 | R352 | R352-S356 PolarHBondContact O-N 2.86Š|
| 357 | R | 42.5 | Very low | 48.5 | Very low | 240 Ų | 240 | 137.8 Ų | 137.8 | 91% | 0.906 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 6.9 | 176.9 | -150.4 | 179.9 | -178.2 | -179.2 | 1.1 | 113.9 | G355 | G355-R357 PolarHBondContact O-N 3.13Š|
| 358 | R | 45 | Very low | 46.3 | Very low | 223 Ų | 223 | 136.9 Ų | 136.9 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -115.4 | -6.5 | -178.4 | -154.5 | 165.7 | -177.1 | 162.9 | 1.8 | 115.8 | G355 R360 | G355-R358 PolarHBondContact O-N 3.01Å; G355-R358 VanDerWaalsContact O-N 3.07Å; R358-R360 VanDerWaalsContact C-N 3.31Å; R358-R360 PolarHBondContact O-N 2.83Å; R358-R360 VanDerWaalsContact O-N 3.16Å |
| 359 | E | 41.8 | Very low | 44.6 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | -88.5 | 53.8 | 175.8 | -65.4 | -171.8 | 134.9 | 0 | 0 | 113.2 | ||||
| 360 | R | 38.7 | Very low | 42.9 | Very low | 253 Ų | 253 | 149.4 Ų | 149.4 | 96% | 0.955 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -153.9 | 49.3 | 166.4 | -131.2 | 177.1 | -168.6 | -165.4 | 2.5 | 115.8 | R358 | R358-R360 VanDerWaalsContact C-N 3.31Å; R358-R360 PolarHBondContact O-N 2.83Å; R358-R360 VanDerWaalsContact O-N 3.16Å |
| 361 | S | 34.2 | Very low | 41 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -148 | 117.9 | 148.8 | -169.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 362 | G | 36.1 | Very low | 39.4 | Very low | 68 Ų | 68 | 149 Ų | 149 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -115.4 | 135.3 | -175 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 363 | Q | 31.7 | Very low | 37.8 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -149 | 100.9 | 163.7 | -117.5 | 158.4 | -3.4 | 0 | 0 | 111.4 | ||||
| 364 | H | 30.8 | Very low | 36.3 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | 45.1 | 99.7 | 137.8 | -146.7 | 51.2 | 0 | 0 | 0 | 118.1 | ||||
| 365 | C | 26.9 | Very low | 35.1 | Very low | 134 Ų | 134 | 150.5 Ų | 150.5 | 91% | 0.905 | 80% | 0.803 | S | S | * | * | trans | -95.2 | 112.3 | 154.5 | -62.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 366 | S | 31.3 | Very low | 34.1 | Very low | 99 Ų | 99 | 154.1 Ų | 154.1 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | trans | -93.2 | 140.9 | 164.8 | 36.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 367 | D | 33.5 | Very low | 33.3 | Very low | 143 Ų | 143 | 153 Ų | 153 | 77% | 0.765 | 83% | 0.826 | S | S | * | * | trans | -85.8 | 134.7 | -172.8 | -175.5 | 20.4 | 0 | 0 | 0 | 111.8 | ||||
| 368 | S | 28.6 | Very low | 32.7 | Very low | 117 Ų | 117 | 150 Ų | 150 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -161.9 | 148.8 | 164.4 | -166.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 369 | R | 32.6 | Very low | 32.1 | Very low | 208 Ų | 208 | 144.3 Ų | 144.3 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -115.4 | 129.5 | -172.9 | -49.6 | 173.9 | -169.8 | 173.3 | 3.2 | 110.9 | ||||
| 370 | R | 31.8 | Very low | 31.6 | Very low | 233 Ų | 233 | 145.9 Ų | 145.9 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | 165.2 | 153.6 | 121.4 | -93.7 | 174.9 | 171.4 | -179.8 | -2 | 115.1 | |||||
| 371 | T | 29.4 | Very low | 31.1 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | 52.4 | 106.3 | 149.4 | 52.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 372 | S | 31.6 | Very low | 31 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | 46.8 | 110.7 | 119 | -49.3 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 373 | S | 30.9 | Very low | 30.8 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | -166.9 | 169.5 | 118.1 | 45.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 374 | A | 32.2 | Very low | 30.9 | Very low | 92 Ų | 92 | 146.6 Ų | 146.6 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | trans | -104.9 | 151.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 375 | M | 30.8 | Very low | 31 | Very low | 180 Ų | 180 | 149.6 Ų | 149.6 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | 175.4 | 151.9 | 115.9 | -87.5 | -145.5 | 78.4 | 0 | 0 | 112.1 | |||||
| 376 | S | 29.9 | Very low | 31.3 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | 50.4 | 122.5 | 155.5 | -153.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 377 | G | 28.9 | Very low | 31.3 | Very low | 78 Ų | 78 | 154.2 Ų | 154.2 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | 174.8 | 84.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 378 | H | 30.8 | Very low | 31.2 | Very low | 178 Ų | 178 | 157.2 Ų | 157.2 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | -94.5 | 109 | -167 | -166.5 | 97.2 | 0 | 0 | 0 | 113.5 | ||||
| 379 | S | 32.3 | Very low | 31.3 | Very low | 103 Ų | 103 | 160.3 Ų | 160.3 | 72% | 0.72 | 83% | 0.832 | S | S | * | * | trans | -174.4 | 110.5 | 145.2 | -89.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 380 | R | 31.5 | Very low | 31.3 | Very low | 217 Ų | 217 | 158.8 Ų | 158.8 | 82% | 0.819 | 84% | 0.838 | S | S | * | * | trans | 44.3 | 109 | 135.1 | -60.9 | 178.7 | 176.6 | 171.3 | 0 | 121.5 | ||||
| 381 | S | 28.2 | Very low | 31.2 | Very low | 119 Ų | 119 | 153.3 Ų | 153.3 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | trans | -155 | 62.3 | 140 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | F383 | S381-F383 PolarHBondContact O-N 2.92Š| ||
| 382 | F | 31.3 | Very low | 31.2 | Very low | 202 Ų | 202 | 153 Ų | 153 | 89% | 0.886 | 84% | 0.838 | S | S | * | * | trans | -73.9 | 84.4 | 177 | -114.5 | -89.8 | 0 | 0 | 0 | 112.1 | ||||
| 383 | F | 32.3 | Very low | 31.1 | Very low | 197 Ų | 197 | 154.1 Ų | 154.1 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | trans | -151.3 | 50.7 | 177 | -133.8 | -78.8 | 0 | 0 | 0 | 114.9 | S381 | S381-F383 PolarHBondContact O-N 2.92Š| ||
| 384 | S | 34 | Very low | 30.9 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -154.8 | 34.8 | 174.9 | -86.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 385 | R | 32.6 | Very low | 30.8 | Very low | 233 Ų | 233 | 158.7 Ų | 158.7 | 88% | 0.879 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -138.7 | 15.2 | -177.2 | -127 | 178.4 | -174.9 | -177.1 | 0.7 | 118.1 | ||
| 386 | E | 33.2 | Very low | 30.8 | Very low | 157 Ų | 157 | 156.4 Ų | 156.4 | 73% | 0.734 | 84% | 0.841 | S | S | * | * | S | Bend | trans | -115.8 | 26.9 | 171.2 | -131.4 | -173 | -173.5 | 0 | 0 | 111.6 | R260 | R260-E386 IonicContact CZ-OE1 3.69Å; R260-E386 IonicContact NH1-OE1 2.74Å; R260-E386 PolarHBondContact NH1-OE1 2.92Å; R260-E386 VanDerWaalsContact NH2-CD 3.34Å; R260-E386 IonicContact NH2-OE1 3.71Å; R260-E386 PolarHBondContact NH2-OE1 2.65Å; R260-E386 IonicContact NH2-OE2 2.78Å; R260-E386 PolarHBondContact NH2-OE2 3.29Å |
| 387 | L | 31.7 | Very low | 30.6 | Very low | 172 Ų | 172 | 158.6 Ų | 158.6 | 90% | 0.901 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -133.8 | 21.5 | -177.9 | -127 | 177.7 | 0 | 0 | 0 | 114.6 | ||
| 388 | K | 30.9 | Very low | 30.4 | Very low | 207 Ų | 207 | 162.3 Ų | 162.3 | 90% | 0.9 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -135.5 | 30.5 | 174.8 | -152.6 | 179.1 | 178.7 | 179.2 | 0 | 113.3 | ||
| 389 | E | 30.8 | Very low | 30.4 | Very low | 182 Ų | 182 | 159.3 Ų | 159.3 | 85% | 0.85 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -138.5 | 31 | -178.4 | -153.7 | 169.9 | -158.3 | 0 | 0 | 113.4 | ||
| 390 | I | 31.4 | Very low | 30.1 | Very low | 176 Ų | 176 | 161.5 Ų | 161.5 | 90% | 0.903 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -136.5 | 63.3 | 158.9 | -47.9 | 179.2 | 0 | 0 | 0 | 108.1 | ||
| 391 | S | 31.5 | Very low | 29.9 | Very low | 118 Ų | 118 | 159.5 Ų | 159.5 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -159.4 | 32.9 | 176.8 | -168.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 392 | S | 28.2 | Very low | 29.8 | Very low | 112 Ų | 112 | 158.7 Ų | 158.7 | 78% | 0.783 | 84% | 0.842 | S | S | * | * | trans | -165.1 | 101.3 | 161.8 | -171.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 393 | T | 29.6 | Very low | 29.8 | Very low | 139 Ų | 139 | 155.9 Ų | 155.9 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | -174.9 | 73.4 | 155.4 | 14.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 394 | S | 27.3 | Very low | 30 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | -173.3 | 82 | 156.1 | -80.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 395 | Q | 29.8 | Very low | 29.6 | Very low | 200 Ų | 200 | 153 Ų | 153 | 94% | 0.935 | 83% | 0.826 | S | S | * | * | trans | -96.4 | 120.8 | 153.4 | -79 | -178.3 | -25.8 | 0 | 0 | 107.1 | ||||
| 396 | T | 29.5 | Very low | 29.4 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | -145.9 | 149.6 | 163.8 | 14.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 397 | L | 27.2 | Very low | 29.1 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | trans | -71.2 | 142.2 | -157 | -76.3 | 69.5 | 0 | 0 | 0 | 113.9 | ||||
| 398 | L | 25 | Very low | 29 | Very low | 156 Ų | 156 | 148.2 Ų | 148.2 | 82% | 0.817 | 83% | 0.827 | S | S | * | * | trans | -76.6 | 148.1 | 143.5 | -78.8 | 168.4 | 0 | 0 | 0 | 109.2 | ||||
| 399 | P | 29.3 | Very low | 28.8 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | -113.2 | 148.5 | 131.3 | 33.9 | -30.8 | 0 | 0 | 0 | 110.5 | ||||
| 400 | D | 27.1 | Very low | 28.7 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | trans | -67 | 154.3 | 176 | -58.9 | -78 | 0 | 0 | 0 | 112.8 | ||||
| 401 | L | 26.6 | Very low | 28.5 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -148 | 142.4 | 134.7 | -143.2 | 73.6 | 0 | 0 | 0 | 110.9 | ||||
| 402 | S | 27.3 | Very low | 28.3 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | trans | -84.9 | 165.1 | -176.1 | 56.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 403 | L | 31.2 | Very low | 28.3 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 75% | 0.749 | 82% | 0.822 | S | S | * | * | trans | -55.8 | 157.9 | 159.5 | -121.2 | 80.1 | 0 | 0 | 0 | 111 | ||||
| 404 | P | 34.6 | Very low | 28.3 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | -137.1 | 179.5 | 102.4 | 38.5 | -27.1 | 0 | 0 | 0 | 114.7 | |||||
| 405 | D | 27 | Very low | 28.4 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 76% | 0.759 | 82% | 0.823 | S | S | * | * | trans | -79.8 | 173.3 | -164.3 | -60 | -83.9 | 0 | 0 | 0 | 117.3 | ||||
| 406 | L | 27.5 | Very low | 28.4 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -65.9 | 142.4 | 166 | -80.9 | 69 | 0 | 0 | 0 | 111.5 | ||||
| 407 | S | 27.3 | Very low | 28.3 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 88% | 0.881 | 82% | 0.823 | S | S | * | * | trans | -150.1 | 171.2 | 153.1 | -155.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 408 | E | 29.8 | Very low | 29 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | trans | -97.6 | 162.9 | -161.2 | -69.8 | -174.1 | 59.6 | 0 | 0 | 116.1 | ||||
| 409 | N | 27.4 | Very low | 29.2 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | 39.1 | 113.1 | 139.9 | -67.9 | -42.6 | 0 | 0 | 0 | 120.1 | ||||
| 410 | G | 27.4 | Very low | 29.2 | Very low | 78 Ų | 78 | 139.1 Ų | 139.1 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -165.5 | 122.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 411 | L | 27.3 | Very low | 30 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 95% | 0.948 | 83% | 0.828 | S | S | * | * | trans | -55.2 | 147.7 | -172.2 | -77.1 | 62.3 | 0 | 0 | 0 | 118.2 | ||||
| 412 | G | 28.1 | Very low | 30 | Very low | 84 Ų | 84 | 133.5 Ų | 133.5 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | 94.2 | 151.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 413 | G | 28 | Very low | 30.1 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | cis | 161.7 | 147 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 414 | R | 29.3 | Very low | 29.9 | Very low | 237 Ų | 237 | 134.3 Ų | 134.3 | 89% | 0.894 | 83% | 0.829 | S | S | * | * | trans | 68.8 | 119 | -177.7 | -68.3 | 173.3 | 165.4 | 164.9 | -6.1 | 114.4 | ||||
| 415 | N | 29.3 | Very low | 29.5 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 80% | 0.797 | 84% | 0.837 | S | S | * | * | 79 | 113.9 | 64.8 | -69.8 | 9.3 | 0 | 0 | 0 | 113.8 | |||||
| 416 | L | 29.7 | Very low | 29.6 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 89% | 0.89 | 83% | 0.833 | S | S | * | * | -174.9 | 126.4 | 129.3 | -100.7 | 159.4 | 0 | 0 | 0 | 112.5 | |||||
| 417 | L | 28 | Very low | 29.6 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -115.2 | 149.1 | 157.4 | -78.1 | 169.5 | 0 | 0 | 0 | 105.8 | ||||
| 418 | P | 42.7 | Very low | 29.6 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | -156.9 | -176.4 | 86.7 | 41.2 | -21.7 | 0 | 0 | 0 | 116.1 | |||||
| 419 | G | 27.8 | Very low | 29.4 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | 113.9 | 79.9 | 140 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 420 | V | 31 | Very low | 29.7 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -89 | 149.7 | 157.7 | 170.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 421 | P | 43.5 | Very low | 29.8 | Very low | 129 Ų | 129 | 135 Ų | 135 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | cis | -144.8 | -170.2 | 46.7 | 38.7 | -16.2 | 0 | 0 | 0 | 116.8 | ||||
| 422 | G | 27 | Very low | 29.8 | Very low | 75 Ų | 75 | 131.3 Ų | 131.3 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 155.2 | 10.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 423 | M | 28.5 | Very low | 29.7 | Very low | 201 Ų | 201 | 133 Ų | 133 | 99% | 0.99 | 79% | 0.788 | S | S | * | * | trans | 23.6 | 116.6 | 153.5 | -167.1 | 172.9 | -170.5 | 0 | 0 | 121.7 | ||||
| 424 | G | 26.8 | Very low | 29.7 | Very low | 63 Ų | 63 | 139.7 Ų | 139.7 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | trans | 170.6 | 123.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 425 | L | 27.2 | Very low | 29.7 | Very low | 179 Ų | 179 | 134.8 Ų | 134.8 | 94% | 0.937 | 79% | 0.788 | S | S | * | * | trans | 61.5 | 145.1 | 165 | -62.4 | 106.5 | 0 | 0 | 0 | 119.8 | ||||
| 426 | A | 28.1 | Very low | 29.5 | Very low | 82 Ų | 82 | 135.6 Ų | 135.6 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | cis | -164.7 | 156.3 | -20.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 427 | Q | 27.3 | Very low | 29.2 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | 70.9 | 100.2 | 153.8 | -140 | 138.6 | -39.7 | 0 | 0 | 120 | ||||
| 428 | K | 28.2 | Very low | 29 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 70% | 0.7 | 78% | 0.784 | S | S | * | * | 79.2 | 147.2 | 104.5 | -86.5 | 176.8 | 146.4 | -79.2 | 0 | 116.6 | |||||
| 429 | D | 25.9 | Very low | 28.1 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | cis | -140.7 | -170.7 | 15.3 | -120.2 | -39.9 | 0 | 0 | 0 | 115.3 | ||||
| 430 | T | 32.2 | Very low | 28.1 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | trans | -89.7 | -179.6 | -159.6 | 60.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 431 | T | 29.8 | Very low | 27.9 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | cis | -159.3 | 170.1 | 21.1 | -23 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 432 | S | 26.6 | Very low | 27.1 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | trans | -61.3 | 163.2 | -178.9 | -142 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 433 | L | 26.8 | Very low | 27 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 63% | 0.628 | 76% | 0.762 | S | S | * | * | cis | 94.3 | 126.9 | 2.6 | -131.4 | -173.6 | 0 | 0 | 0 | 119.1 | ||||
| 434 | R | 28.7 | Very low | 26.8 | Very low | 212 Ų | 212 | 136.3 Ų | 136.3 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | trans | 63.5 | 171.1 | 164.3 | -87.4 | 160.4 | -162.1 | 139.9 | 5.5 | 119 | ||||
| 435 | T | 28.7 | Very low | 26.8 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | cis | -176.6 | 156 | -43 | -85.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 436 | L | 24.8 | Very low | 26.7 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | -130 | 141.8 | -171.1 | -112.1 | 172.7 | 0 | 0 | 0 | 115.3 | ||||
| 437 | R | 24.8 | Very low | 26.6 | Very low | 227 Ų | 227 | 137.7 Ų | 137.7 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -171.7 | 148.9 | 149.8 | -121.5 | -176.2 | -173.4 | 158 | 4 | 115.2 | ||||
| 438 | I | 23.1 | Very low | 26.6 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | trans | 83.4 | 112.8 | 154.5 | -63.7 | 164.1 | 0 | 0 | 0 | 118.7 | ||||
| 439 | S | 24 | Very low | 26.5 | Very low | 90 Ų | 90 | 135.6 Ų | 135.6 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | trans | 43.2 | 151 | 132.4 | -62.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 440 | E | 27.1 | Very low | 26.6 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | cis | -166.5 | -175.1 | -5.7 | -118.1 | 166.5 | 117.6 | 0 | 0 | 113.1 | ||||
| 441 | T | 26.3 | Very low | 26.5 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | 83.8 | 117.8 | 160.8 | 57.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 442 | S | 26.4 | Very low | 26.4 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | trans | 65 | 154.8 | 131.9 | -51.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 443 | D | 24.8 | Very low | 26.4 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | cis | -155.6 | 154.3 | 5.7 | -142.6 | -31.5 | 0 | 0 | 0 | 114.6 | ||||
| 444 | S | 25.1 | Very low | 26.3 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | trans | 55.4 | 158.5 | 165.4 | 72.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 445 | S | 27.1 | Very low | 26.2 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | cis | -170 | 169 | -19.9 | 54.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 446 | Q | 25.4 | Very low | 26.2 | Very low | 186 Ų | 186 | 136.8 Ų | 136.8 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | cis | -156.2 | -176.3 | -0.3 | -126.1 | 174.9 | -25.8 | 0 | 0 | 105.4 | ||||
| 447 | G | 24.8 | Very low | 26.4 | Very low | 59 Ų | 59 | 135.8 Ų | 135.8 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | cis | 154 | 125.9 | -5.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 448 | Q | 27.2 | Very low | 26.8 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | trans | 67.1 | 153.3 | 168.9 | -68.5 | 176.1 | -96.8 | 0 | 0 | 117.7 | ||||
| 449 | D | 27 | Very low | 27.1 | Very low | 124 Ų | 124 | 131 Ų | 131 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | cis | -159.7 | 166.2 | -5.9 | -118.7 | -24.5 | 0 | 0 | 0 | 114.4 | ||||
| 450 | S | 28.5 | Very low | 27.4 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | 71.8 | 156.9 | 152.1 | -67.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 451 | E | 30.1 | Very low | 27.4 | Very low | 184 Ų | 184 | 126.4 Ų | 126.4 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -118.4 | 165 | -178.5 | -66.7 | -177.1 | 65.2 | 0 | 0 | 114.2 | ||||
| 452 | S | 27.6 | Very low | 27.7 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | trans | 87.4 | 119.3 | 138.7 | 76.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 453 | V | 26.8 | Very low | 27.9 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | 92 | 133.1 | 118.5 | 164.1 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 454 | L | 24.3 | Very low | 28.2 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | 70.5 | 124.5 | 158.1 | -119.8 | 73.3 | 0 | 0 | 0 | 122.4 | ||||
| 455 | L | 25.5 | Very low | 28.5 | Very low | 159 Ų | 159 | 130 Ų | 130 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | -168.4 | 172.4 | 96.3 | -102 | 171 | 0 | 0 | 0 | 113 | |||||
| 456 | V | 29.1 | Very low | 28.7 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | trans | -139.9 | 167.4 | -171.7 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 457 | D | 29.5 | Very low | 29.6 | Very low | 145 Ų | 145 | 126.2 Ų | 126.2 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | 118.6 | 149.8 | 167.1 | -68.1 | -6.7 | 0 | 0 | 0 | 114 | ||||
| 458 | E | 32.4 | Very low | 30 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 71% | 0.71 | 79% | 0.792 | S | S | * | * | cis | -162.3 | 174.2 | -5.6 | -118.1 | -81.5 | 66.9 | 0 | 0 | 110.3 | ||||
| 459 | V | 30.5 | Very low | 30.9 | Very low | 118 Ų | 118 | 125 Ų | 125 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | trans | 40.1 | 134.2 | 151.1 | 158.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 460 | G | 29.2 | Very low | 31 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | cis | 116.3 | 122.7 | 24.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 461 | G | 28.7 | Very low | 31.1 | Very low | 84 Ų | 84 | 127 Ų | 127 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -163.1 | 158.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 462 | S | 30.9 | Very low | 31.2 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 94% | 0.944 | 80% | 0.802 | S | S | * | * | trans | -141.9 | 149.8 | -163.3 | -179.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 463 | G | 30.9 | Very low | 31.4 | Very low | 70 Ų | 70 | 124.9 Ų | 124.9 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | 160.9 | 90.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 464 | R | 32 | Very low | 31.6 | Very low | 249 Ų | 249 | 125.9 Ų | 125.9 | 94% | 0.94 | 81% | 0.806 | S | S | * | * | trans | 31.8 | 117 | 142.9 | -78.1 | 179.8 | 165.8 | 170.5 | -4.7 | 123.9 | ||||
| 465 | A | 30.9 | Very low | 31.7 | Very low | 98 Ų | 98 | 127.6 Ų | 127.6 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | 83.3 | 89.3 | 111.1 | 0 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 466 | G | 31.6 | Very low | 31.9 | Very low | 77 Ų | 77 | 125 Ų | 125 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 70.1 | 176.2 | 132.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 467 | P | 44.4 | Very low | 31.9 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | cis | -113.4 | -176 | -11.6 | 40.9 | -28.5 | 0 | 0 | 0 | 113.9 | ||||
| 468 | A | 33.6 | Very low | 32.1 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -92.3 | 168.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 469 | P | 45.3 | Very low | 32.2 | Very low | 115 Ų | 115 | 125 Ų | 125 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | -152.4 | 160.8 | 93.6 | 39.7 | -22.1 | 0 | 0 | 0 | 118.7 | |||||
| 470 | K | 30.1 | Very low | 32.2 | Very low | 204 Ų | 204 | 124.6 Ų | 124.6 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | 61 | 84 | 149.2 | -68.8 | 172.5 | -179.7 | 178.8 | 0 | 121.1 | ||||
| 471 | G | 29.4 | Very low | 32.3 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | 78 | 121.3 | 99.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 472 | S | 32.8 | Very low | 32.5 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -165.2 | 174.2 | 134.3 | 41 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 473 | S | 32.1 | Very low | 32.5 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -63.5 | 154.7 | -167.1 | -174.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 474 | L | 29.4 | Very low | 32.5 | Very low | 153 Ų | 153 | 137.5 Ų | 137.5 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | trans | -56.9 | 140.1 | 161.7 | -75.6 | 85.9 | 0 | 0 | 0 | 110.6 | ||||
| 475 | Q | 27.3 | Very low | 32.5 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -132 | 120.7 | 155.5 | -123.1 | -175.8 | 7.4 | 0 | 0 | 107.6 | ||||
| 476 | V | 30.4 | Very low | 32.5 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | trans | -97.1 | 103.9 | 173.4 | 177.6 | 0 | 0 | 0 | 0 | 107.7 | F478 | V476-F478 HydrophobicContact CG1-CD2 4.23Å; V476-F478 HydrophobicContact CG1-CE2 3.75Å; V476-F478 HydrophobicContact CG1-CZ 4.18Å; V476-F478 PolarHBondContact O-N 2.99Å | ||
| 477 | T | 29.1 | Very low | 32.6 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -80.8 | 110.8 | 178.8 | -55 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 478 | F | 33.9 | Very low | 32.1 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 72% | 0.724 | 82% | 0.817 | S | S | * | * | trans | -85.6 | 135.8 | 163.3 | -69.6 | -90.2 | 0 | 0 | 0 | 109.2 | V476 | V476-F478 HydrophobicContact CG1-CD2 4.23Å; V476-F478 HydrophobicContact CG1-CE2 3.75Å; V476-F478 HydrophobicContact CG1-CZ 4.18Å; V476-F478 PolarHBondContact O-N 2.99Å | ||
| 479 | P | 33.4 | Very low | 32 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -69.6 | 139.4 | 176.1 | 28.4 | -33.7 | 0 | 0 | 0 | 111.3 | ||||
| 480 | S | 30.2 | Very low | 31.5 | Very low | 110 Ų | 110 | 152.4 Ų | 152.4 | 77% | 0.769 | 85% | 0.849 | S | S | * | * | trans | -103.9 | 108.9 | -168.8 | -60.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 481 | E | 32.3 | Very low | 31.6 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | trans | -136.4 | 65.3 | 160.8 | -75.5 | -152.9 | 127.3 | 0 | 0 | 111.6 | ||||
| 482 | T | 32.2 | Very low | 31.7 | Very low | 136 Ų | 136 | 153.6 Ų | 153.6 | 83% | 0.834 | 85% | 0.849 | S | S | * | * | trans | -137.1 | 78.9 | 171.5 | 37.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 483 | L | 31.1 | Very low | 31.6 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 83% | 0.832 | 85% | 0.845 | S | S | * | * | trans | -123.3 | 146.1 | 168.3 | -96.2 | 168.5 | 0 | 0 | 0 | 110.8 | ||||
| 484 | N | 30.4 | Very low | 31.6 | Very low | 145 Ų | 145 | 157.4 Ų | 157.4 | 78% | 0.775 | 85% | 0.849 | S | S | * | * | S | Bend | trans | 63.7 | 88.9 | 177.5 | -56.3 | -44.1 | 0 | 0 | 0 | 116.9 | ||
| 485 | L | 33.1 | Very low | 31.7 | Very low | 180 Ų | 180 | 157.6 Ų | 157.6 | 94% | 0.942 | 85% | 0.852 | S | S | * | * | 179.2 | 82.7 | 106.5 | -96.1 | 157.1 | 0 | 0 | 0 | 112 | |||||
| 486 | S | 30.9 | Very low | 32 | Very low | 117 Ų | 117 | 156.1 Ų | 156.1 | 82% | 0.818 | 85% | 0.852 | S | S | * | * | trans | -148.2 | 62.1 | 168.9 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 487 | E | 33.7 | Very low | 32.1 | Very low | 188 Ų | 188 | 159.8 Ų | 159.8 | 88% | 0.879 | 87% | 0.868 | S | S | * | * | trans | -157.7 | 108.3 | 159 | -128.9 | 175.4 | -168.3 | 0 | 0 | 113.3 | ||||
| 488 | K | 33.2 | Very low | 32.4 | Very low | 216 Ų | 216 | 162.8 Ų | 162.8 | 94% | 0.939 | 88% | 0.877 | S | S | * | * | trans | -176.3 | 83.8 | 145.4 | -106.2 | 165.5 | -175.2 | 171.5 | 0 | 111.1 | ||||
| 489 | C | 31.6 | Very low | 32.2 | Very low | 132 Ų | 132 | 162.6 Ų | 162.6 | 89% | 0.892 | 89% | 0.89 | S | S | * | * | trans | -98.2 | 117.5 | 158.3 | -76.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 490 | I | 35.1 | Very low | 32.1 | Very low | 246 Ų | 246 | 165.6 Ų | 165.6 | 100% | 1.262 | 90% | 0.895 | S | S | * | * | trans | -140.9 | 0 | 145.9 | -57.1 | -175.5 | 0 | 0 | 0 | 106.1 |
Retrieved 490 of 490 residues in 648.3 ms
(Link to these results)