| 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 | 26.5 | Very low | 27 | Very low | 71 Ų | 71 | 115.5 Ų | 115.5 | 35% | 0.35 | 71% | 0.713 | S | S | . | * | 0 | -19.5 | 0 | -70.6 | -161.7 | 81.6 | 0 | 0 | 114.1 | T3 V4 F31 T55 L59 C70 | M1-T3 PolarHBondContact O-N 3.4Å; M1-V4 PolarHBondContact O-N 3.04Å; M1-F31 HydrophobicContact SD-CE2 4.31Å; M1-T55 HydrophobicContact CB-CG2 4.36Å; M1-T55 HydrophobicContact SD-CG2 4.31Å; M1-L59 HydrophobicContact CE-CD2 4.49Å; M1-C70 HydrophobicContact CE-CB 3.7Å; M1-C70 HydrophobicContact SD-CB 3.55Å; M1-C70 VanDerWaalsContact SD-CB 3.55Å | |||
| 2 | T | 29.4 | Very low | 26.9 | Very low | 149 Ų | 149 | 116.8 Ų | 116.8 | 91% | 0.914 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 7.6 | 176.3 | 42.1 | 0 | 0 | 0 | 0 | 115.9 | ||
| 3 | T | 27.6 | Very low | 26.9 | Very low | 118 Ų | 118 | 118.1 Ų | 118.1 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | -1.5 | -174.2 | 45.2 | 0 | 0 | 0 | 0 | 114.2 | M1 | M1-T3 PolarHBondContact O-N 3.4Š|
| 4 | V | 27.9 | Very low | 27.1 | Very low | 86 Ų | 86 | 118.2 Ų | 118.2 | 52% | 0.521 | 73% | 0.734 | S | S | . | * | trans | -95.5 | 12.5 | -173.1 | -161.4 | 0 | 0 | 0 | 0 | 112.8 | M1 H6 I7 | M1-V4 PolarHBondContact O-N 3.04Å; V4-H6 PolarHBondContact O-N 3.34Å; V4-I7 HydrophobicContact CG1-CD1 4.21Å | ||
| 5 | G | 25.8 | Very low | 27.1 | Very low | 75 Ų | 75 | 119.4 Ų | 119.4 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | trans | -71.2 | 25.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 6 | H | 26.2 | Very low | 27.1 | Very low | 182 Ų | 182 | 124.6 Ų | 124.6 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -142.9 | 41.3 | -172.4 | -92.1 | -62.3 | 0 | 0 | 0 | 113.9 | V4 | V4-H6 PolarHBondContact O-N 3.34Š| ||
| 7 | I | 26.2 | Very low | 27.1 | Very low | 137 Ų | 137 | 121.4 Ų | 121.4 | 70% | 0.703 | 74% | 0.744 | S | S | * | * | trans | -122.5 | 73.8 | 168.5 | -50.2 | -177.1 | 0 | 0 | 0 | 110.1 | V4 | V4-I7 HydrophobicContact CG1-CD1 4.21Š| ||
| 8 | S | 26.5 | Very low | 27.1 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | -95.4 | 97.1 | 176 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | A10 | S8-A10 VanDerWaalsContact C-N 3.26Å; S8-A10 PolarHBondContact O-N 3.41Å | ||
| 9 | K | 26.6 | Very low | 27 | Very low | 189 Ų | 189 | 128.9 Ų | 128.9 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 52.7 | 24.3 | 158.1 | -66.5 | 178.6 | 177 | 167.1 | 0 | 118.1 | ||
| 10 | A | 28.4 | Very low | 26.9 | Very low | 87 Ų | 87 | 128.7 Ų | 128.7 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | trans | -80.6 | 141.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S8 C12 | S8-A10 VanDerWaalsContact C-N 3.26Å; S8-A10 PolarHBondContact O-N 3.41Å; A10-C12 PolarHBondContact O-N 3.05Å | ||
| 11 | G | 26.3 | Very low | 27 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | trans | -60.1 | 126.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T13 | G11-T13 PolarHBondContact O-N 2.76Š| ||
| 12 | C | 25 | Very low | 26.9 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 107.2 | 175.7 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | A10 | A10-C12 PolarHBondContact O-N 3.05Š|
| 13 | T | 27.7 | Very low | 26.9 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.7 | -20.5 | 162.5 | 7.2 | 0 | 0 | 0 | 0 | 113.2 | G11 | G11-T13 PolarHBondContact O-N 2.76Š|
| 14 | T | 29.4 | Very low | 27 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -140.3 | 52 | -167.7 | 49.1 | 0 | 0 | 0 | 0 | 117.1 | ||
| 15 | I | 27.7 | Very low | 27.1 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 70% | 0.697 | 77% | 0.768 | S | S | * | * | trans | -142.5 | 92.7 | 145.1 | -61.2 | 90.7 | 0 | 0 | 0 | 110.2 | K18 | I15-K18 HydrophobicContact CG2-CB 4.21Š| ||
| 16 | E | 26.2 | Very low | 27.6 | Very low | 202 Ų | 202 | 130.1 Ų | 130.1 | 94% | 0.944 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -96.6 | -16.9 | 150.9 | -70.5 | -170 | 122.4 | 0 | 0 | 111.6 | ||
| 17 | G | 27.9 | Very low | 28.2 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -96.5 | 14.5 | -158.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 18 | K | 27.2 | Very low | 29.8 | Very low | 171 Ų | 171 | 125.6 Ų | 125.6 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -134.2 | 2.6 | -171.2 | -78.7 | -166 | 174.2 | 179.5 | 0 | 119.9 | I15 | I15-K18 HydrophobicContact CG2-CB 4.21Š|
| 19 | Y | 24.1 | Very low | 32 | Very low | 215 Ų | 215 | 121.1 Ų | 121.1 | 84% | 0.843 | 72% | 0.719 | S | S | * | * | trans | -131.9 | 50.2 | 173.7 | -74.6 | -70.6 | 0 | 0 | 0 | 113.8 | ||||
| 20 | C | 25.8 | Very low | 34.5 | Very low | 123 Ų | 123 | 113.3 Ų | 113.3 | 83% | 0.831 | 69% | 0.687 | S | S | * | * | trans | -95.7 | 28.1 | 178.8 | -143.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 21 | S | 28.1 | Very low | 37 | Very low | 92 Ų | 92 | 109.2 Ų | 109.2 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | trans | -128.8 | 6.8 | -163 | 55.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 22 | L | 25.6 | Very low | 39.5 | Very low | 143 Ų | 143 | 107.9 Ų | 107.9 | 75% | 0.749 | 63% | 0.63 | S | S | * | * | trans | -127 | 67.4 | 169.5 | -86.2 | 93.1 | 0 | 0 | 0 | 111.8 | G24 | L22-G24 VanDerWaalsContact C-N 3.25Å; L22-G24 PolarHBondContact O-N 3.46Å | ||
| 23 | T | 27.8 | Very low | 42.2 | Very low | 139 Ų | 139 | 104 Ų | 104 | 85% | 0.853 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 7.8 | 175.7 | 47.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 24 | G | 29.8 | Very low | 44.8 | Very low | 71 Ų | 71 | 97.6 Ų | 97.6 | 73% | 0.732 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | L22 | L22-G24 VanDerWaalsContact C-N 3.25Å; L22-G24 PolarHBondContact O-N 3.46Å |
| 25 | V | 30.3 | Very low | 47.4 | Very low | 97 Ų | 97 | 93.5 Ų | 93.5 | 59% | 0.588 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -133.5 | 116.3 | 177 | -179 | 0 | 0 | 0 | 0 | 109 | H27 | V25-H27 PolarHBondContact O-N 2.88Š|
| 26 | P | 35.7 | Very low | 49.8 | Very low | 117 Ų | 117 | 91.2 Ų | 91.2 | 76% | 0.76 | 52% | 0.524 | S | S | * | . | trans | -66.7 | 110.7 | 169.4 | 27.9 | -31.8 | 0 | 0 | 0 | 108 | S28 | P26-S28 PolarHBondContact O-N 2.8Š| ||
| 27 | H | 40.7 | Very low | 52.5 | Low | 160 Ų | 160 | 82.9 Ų | 82.9 | 74% | 0.741 | 49% | 0.487 | S | S | * | . | trans | -70.6 | 70.7 | 170.7 | -74.3 | -53.5 | 0 | 0 | 0 | 109.7 | V25 C29 | V25-H27 PolarHBondContact O-N 2.88Å; H27-C29 PolarHBondContact O-N 2.65Å; H27-C29 VanDerWaalsContact O-N 3.09Å | ||
| 28 | S | 58.5 | Low | 54.9 | Low | 64 Ų | 64 | 80 Ų | 80 | 45% | 0.448 | 46% | 0.455 | S | S | . | . | trans | -49.3 | 118.1 | -176.7 | 61.8 | 0 | 0 | 0 | 0 | 109.6 | P26 | P26-S28 PolarHBondContact O-N 2.8Š| ||
| 29 | C | 73 | Confident | 57.1 | Low | 12 Ų | 12 | 79.6 Ų | 79.6 | 8% | 0.081 | 45% | 0.449 | C | S | . | . | trans | -61.1 | 145.7 | 176 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | H27 F31 T32 N33 C70 C72 | H27-C29 PolarHBondContact O-N 2.65Å; H27-C29 VanDerWaalsContact O-N 3.09Å; C29-F31 PolarHBondContact O-N 3.35Å; C29-T32 CarbonylContact O-C 3.55Å; C29-T32 WeakPolarHBondContact O-CA 3.41Å; C29-T32 WeakPolarHBondContact O-CB 3.42Å; C29-T32 PolarHBondContact O-N 3.49Å; C29-N33 PolarHBondContact O-N 3.44Å; C29-C70 PolarHBondContact SG-SG 2.96Å; C29-C72 HydrophobicContact CB-CB 3.86Å; C29-C72 WeakPolarHBondContact CB-SG 3.36Å | ||
| 30 | V | 79.3 | Confident | 59.8 | Low | 24 Ų | 24 | 72.7 Ų | 72.7 | 15% | 0.145 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.2 | -32.3 | -173.1 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | Y34 K51 T52 T55 | V30-Y34 PolarHBondContact O-N 2.96Å; V30-K51 HydrophobicContact CG1-CB 3.6Å; V30-T52 HydrophobicContact CG1-CG2 3.91Å; V30-T55 HydrophobicContact CG2-CG2 4.49Å |
| 31 | F | 80.2 | Confident | 62.2 | Low | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.009 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -70.4 | -40.5 | 174.1 | -52.7 | -71.8 | 0 | 0 | 0 | 112.6 | M1 C29 Y34 L35 T52 T55 L56 L59 I73 L80 | M1-F31 HydrophobicContact SD-CE2 4.31Å; C29-F31 PolarHBondContact O-N 3.35Å; F31-Y34 PolarHBondContact O-N 3.12Å; F31-L35 WeakPolarHBondContact O-CG 3.15Å; F31-L35 PolarHBondContact O-N 3.15Å; F31-T52 HydrophobicContact CD1-CG2 3.86Å; F31-T52 HydrophobicContact CE1-CG2 4.13Å; F31-T55 HydrophobicContact CE2-CG2 3.84Å; F31-T55 HydrophobicContact CZ-CG2 3.77Å; F31-L56 HydrophobicContact CE1-CD1 4.24Å; F31-L56 HydrophobicContact CE1-CD2 3.8Å; F31-L56 HydrophobicContact CE1-CG 3.81Å; F31-L56 HydrophobicContact CZ-CD2 3.88Å; F31-L56 HydrophobicContact CZ-CG 4.02Å; F31-L59 HydrophobicContact CE2-CD1 4.45Å; F31-L59 HydrophobicContact CZ-CD1 4.3Å; F31-I73 HydrophobicContact CD1-CG1 4.3Å; F31-I73 HydrophobicContact CD2-CD1 3.93Å; F31-I73 HydrophobicContact CD2-CG1 3.45Å; F31-I73 VanDerWaalsContact CD2-CG1 3.45Å; F31-I73 HydrophobicContact CE1-CD1 4.28Å; F31-I73 HydrophobicContact CE1-CG1 4.39Å; F31-I73 HydrophobicContact CE2-CD1 3.47Å; F31-I73 VanDerWaalsContact CE2-CD1 3.47Å; F31-I73 HydrophobicContact CE2-CG1 3.57Å; F31-I73 HydrophobicContact CG-CG1 3.86Å; F31-I73 HydrophobicContact CZ-CD1 3.66Å; F31-I73 HydrophobicContact CZ-CG1 4.05Å; F31-L80 HydrophobicContact CD1-CD1 4.48Å; F31-L80 HydrophobicContact CD1-CD2 3.91Å; F31-L80 HydrophobicContact CG-CD2 4.48Å |
| 32 | T | 79.1 | Confident | 64.5 | Low | 43 Ų | 43 | 73.6 Ų | 73.6 | 26% | 0.264 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 172.1 | -44 | 0 | 0 | 0 | 0 | 110.6 | C29 Y34 L35 D36 | C29-T32 CarbonylContact O-C 3.55Å; C29-T32 WeakPolarHBondContact O-CA 3.41Å; C29-T32 WeakPolarHBondContact O-CB 3.42Å; C29-T32 PolarHBondContact O-N 3.49Å; T32-Y34 VanDerWaalsContact C-N 3.26Å; T32-Y34 PolarHBondContact O-N 2.8Å; T32-L35 CarbonylContact O-C 3.58Å; T32-L35 WeakPolarHBondContact O-CA 3.29Å; T32-L35 WeakPolarHBondContact O-CB 3.06Å; T32-L35 PolarHBondContact O-N 3.28Å; T32-D36 VanDerWaalsContact O-CG 3.23Å; T32-D36 PolarHBondContact O-N 3.28Å; T32-D36 VanDerWaalsContact O-OD2 3.1Å |
| 33 | N | 81 | Confident | 67.1 | Low | 47 Ų | 47 | 72.9 Ų | 72.9 | 25% | 0.251 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.4 | -34.5 | 177 | -174.6 | -116.8 | 0 | 0 | 0 | 112.3 | C29 V37 | C29-N33 PolarHBondContact O-N 3.44Å; N33-V37 WeakPolarHBondContact O-CB 3.32Å; N33-V37 WeakPolarHBondContact O-CG2 3.43Å; N33-V37 PolarHBondContact O-N 2.99Å; N33-V37 VanDerWaalsContact O-N 3.15Å |
| 34 | Y | 84 | Confident | 69.7 | Low | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68 | -41.4 | 170.4 | 171.3 | -106.4 | 0 | 0 | 0 | 112.6 | V30 F31 T32 D36 V37 C38 V45 A48 L49 T52 L80 A83 L84 S87 | V30-Y34 PolarHBondContact O-N 2.96Å; F31-Y34 PolarHBondContact O-N 3.12Å; T32-Y34 VanDerWaalsContact C-N 3.26Å; T32-Y34 PolarHBondContact O-N 2.8Å; Y34-D36 PolarHBondContact O-N 3.34Å; Y34-V37 CarbonylContact O-C 3.55Å; Y34-V37 PolarHBondContact O-N 2.97Å; Y34-V37 VanDerWaalsContact O-N 3.15Å; Y34-C38 HydrophobicContact CD2-CB 4.48Å; Y34-C38 HydrophobicContact CE1-CB 4.42Å; Y34-C38 HydrophobicContact CE2-CB 3.99Å; Y34-C38 VanDerWaalsContact O-CB 3.29Å; Y34-C38 WeakPolarHBondContact O-CB 3.45Å; Y34-C38 PolarHBondContact O-N 2.82Å; Y34-V45 HydrophobicContact CE2-CG1 4.34Å; Y34-A48 HydrophobicContact CD2-CB 3.89Å; Y34-L49 HydrophobicContact CD2-CD2 4.08Å; Y34-L49 HydrophobicContact CD2-CG 4.23Å; Y34-L49 HydrophobicContact CE2-CD2 3.4Å; Y34-L49 VanDerWaalsContact CE2-CD2 3.4Å; Y34-L49 HydrophobicContact CE2-CG 3.69Å; Y34-T52 HydrophobicContact CG-CG2 4.27Å; Y34-L80 HydrophobicContact CD1-CD1 3.59Å; Y34-L80 HydrophobicContact CE1-CD1 3.93Å; Y34-A83 HydrophobicContact CE1-CB 3.72Å; Y34-A83 VanDerWaalsContact OH-C 3.26Å; Y34-A83 PolarHBondContact OH-O 2.93Å; Y34-L84 HydrophobicContact CE1-CD2 4.16Å; Y34-L84 HydrophobicContact CE1-CG 4.03Å; Y34-L84 PolarHBondContact OH-N 3.15Å; Y34-S87 PolarHBondContact OH-OG 3.02Å |
| 35 | L | 82.5 | Confident | 72.3 | Confident | 34 Ų | 34 | 65.4 Ų | 65.4 | 18% | 0.178 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 175.1 | -68.9 | 170.6 | 0 | 0 | 0 | 112.6 | F31 T32 V37 C38 N76 R79 A83 | F31-L35 WeakPolarHBondContact O-CG 3.15Å; F31-L35 PolarHBondContact O-N 3.15Å; T32-L35 CarbonylContact O-C 3.58Å; T32-L35 WeakPolarHBondContact O-CA 3.29Å; T32-L35 WeakPolarHBondContact O-CB 3.06Å; T32-L35 PolarHBondContact O-N 3.28Å; L35-V37 VanDerWaalsContact C-N 3.26Å; L35-V37 PolarHBondContact O-N 3.5Å; L35-C38 PolarHBondContact O-SG 2.84Å; L35-N76 HydrophobicContact CD1-CB 3.88Å; L35-R79 HydrophobicContact CD1-CB 4.44Å; L35-R79 HydrophobicContact CD2-CB 4.1Å; L35-A83 HydrophobicContact CD2-CB 4Å |
| 36 | D | 79.7 | Confident | 75 | Confident | 89 Ų | 89 | 62.2 Ų | 62.2 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69 | -25 | 174.9 | -57.7 | -42.6 | 0 | 0 | 0 | 112.1 | T32 Y34 | T32-D36 VanDerWaalsContact O-CG 3.23Å; T32-D36 PolarHBondContact O-N 3.28Å; T32-D36 VanDerWaalsContact O-OD2 3.1Å; Y34-D36 PolarHBondContact O-N 3.34Å |
| 37 | V | 82.7 | Confident | 77.3 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -104.8 | -17 | -172.2 | 172 | 0 | 0 | 0 | 0 | 113.4 | N33 Y34 L35 W39 T40 S44 V45 A48 | N33-V37 WeakPolarHBondContact O-CB 3.32Å; N33-V37 WeakPolarHBondContact O-CG2 3.43Å; N33-V37 PolarHBondContact O-N 2.99Å; N33-V37 VanDerWaalsContact O-N 3.15Å; Y34-V37 CarbonylContact O-C 3.55Å; Y34-V37 PolarHBondContact O-N 2.97Å; Y34-V37 VanDerWaalsContact O-N 3.15Å; L35-V37 VanDerWaalsContact C-N 3.26Å; L35-V37 PolarHBondContact O-N 3.5Å; V37-W39 PolarHBondContact O-N 3.09Å; V37-W39 VanDerWaalsContact O-N 3.12Å; V37-T40 WeakPolarHBondContact CG1-OG1 3.32Å; V37-T40 WeakPolarHBondContact O-CB 3.44Å; V37-T40 WeakPolarHBondContact O-CG2 3.39Å; V37-T40 PolarHBondContact O-N 3.03Å; V37-T40 PolarHBondContact O-OG1 3.4Å; V37-S44 VanDerWaalsContact CG1-C 3.47Å; V37-S44 WeakPolarHBondContact CG1-O 3.29Å; V37-V45 WeakPolarHBondContact O-CG2 3.38Å; V37-A48 HydrophobicContact CB-CB 4.29Å; V37-A48 HydrophobicContact CG1-CB 3.98Å |
| 38 | C | 77.2 | Confident | 79.5 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.6 | -171 | 64.5 | 0 | 0 | 0 | 0 | 114.6 | Y34 L35 A83 | Y34-C38 HydrophobicContact CD2-CB 4.48Å; Y34-C38 HydrophobicContact CE1-CB 4.42Å; Y34-C38 HydrophobicContact CE2-CB 3.99Å; Y34-C38 VanDerWaalsContact O-CB 3.29Å; Y34-C38 WeakPolarHBondContact O-CB 3.45Å; Y34-C38 PolarHBondContact O-N 2.82Å; L35-C38 PolarHBondContact O-SG 2.84Å; C38-A83 HydrophobicContact CB-CB 4.22Å |
| 39 | W | 74.6 | Confident | 81 | Confident | 164 Ų | 164 | 48.9 Ų | 48.9 | 62% | 0.621 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 9.3 | 175.3 | -53.5 | 110.2 | 0 | 0 | 0 | 114.1 | V37 F86 | V37-W39 PolarHBondContact O-N 3.09Å; V37-W39 VanDerWaalsContact O-N 3.12Å; W39-F86 HydrophobicContact CE3-CD1 4.29Å; W39-F86 AromaticContact CE3-CE1 3.95Å; W39-F86 HydrophobicContact CE3-CE1 3.95Å; W39-F86 HydrophobicContact CE3-CZ 4.35Å; W39-F86 HydrophobicContact CH2-CD1 4.19Å; W39-F86 HydrophobicContact CH2-CD2 4.32Å; W39-F86 HydrophobicContact CH2-CE1 4.43Å; W39-F86 HydrophobicContact CH2-CG 4.14Å; W39-F86 AromaticContact CZ3-CD1 3.69Å; W39-F86 HydrophobicContact CZ3-CD1 3.69Å; W39-F86 HydrophobicContact CZ3-CD2 4.13Å; W39-F86 AromaticContact CZ3-CE1 3.52Å; W39-F86 HydrophobicContact CZ3-CE1 3.52Å; W39-F86 AromaticContact CZ3-CE2 3.98Å; W39-F86 HydrophobicContact CZ3-CE2 3.98Å; W39-F86 AromaticContact CZ3-CG 4Å; W39-F86 HydrophobicContact CZ3-CG 4Å; W39-F86 AromaticContact CZ3-CZ 3.68Å; W39-F86 HydrophobicContact CZ3-CZ 3.68Å |
| 40 | T | 80.6 | Confident | 81.8 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 43% | 0.429 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -100.9 | -163.7 | -176 | 73.8 | 0 | 0 | 0 | 0 | 112.8 | V37 S44 | V37-T40 WeakPolarHBondContact CG1-OG1 3.32Å; V37-T40 WeakPolarHBondContact O-CB 3.44Å; V37-T40 WeakPolarHBondContact O-CG2 3.39Å; V37-T40 PolarHBondContact O-N 3.03Å; V37-T40 PolarHBondContact O-OG1 3.4Å; T40-S44 PolarHBondContact OG1-OG 3.01Å |
| 41 | K | 75.5 | Confident | 82.2 | Confident | 158 Ų | 158 | 55.3 Ų | 55.3 | 69% | 0.687 | 29% | 0.289 | S | S | * | . | trans | -62.9 | 147.5 | -179 | -65.3 | -177.1 | -179.7 | -179.2 | 0 | 111.6 | D43 S44 V45 | K41-D43 PolarHBondContact O-N 3.33Å; K41-D43 VanDerWaalsContact O-N 3.14Å; K41-S44 PolarHBondContact N-OG 2.93Å; K41-S44 PolarHBondContact O-N 3.04Å; K41-S44 PolarHBondContact O-OG 2.84Å; K41-V45 WeakPolarHBondContact O-CG2 3.49Å; K41-V45 PolarHBondContact O-N 2.82Å | ||
| 42 | P | 76.7 | Confident | 82.5 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -57.4 | -34.2 | -175.9 | 21.8 | -33.6 | 0 | 0 | 0 | 113.5 | S44 V45 L46 | P42-S44 PolarHBondContact O-N 2.95Å; P42-V45 PolarHBondContact O-N 3.12Å; P42-L46 VanDerWaalsContact O-CB 3.29Å; P42-L46 WeakPolarHBondContact O-CB 3.48Å; P42-L46 PolarHBondContact O-N 3.14Å |
| 43 | D | 80.1 | Confident | 82.9 | Confident | 129 Ų | 129 | 55.3 Ų | 55.3 | 69% | 0.69 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.9 | -40.3 | 177.1 | -55.8 | -48.9 | 0 | 0 | 0 | 112.8 | K41 C47 | K41-D43 PolarHBondContact O-N 3.33Å; K41-D43 VanDerWaalsContact O-N 3.14Å; D43-C47 VanDerWaalsContact O-CB 3.29Å; D43-C47 WeakPolarHBondContact O-CB 3.29Å; D43-C47 PolarHBondContact O-N 3.5Å |
| 44 | S | 81.8 | Confident | 83.1 | Confident | 46 Ų | 46 | 58.4 Ų | 58.4 | 32% | 0.322 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74.3 | -37.9 | 177.1 | 39.9 | 0 | 0 | 0 | 0 | 111.5 | V37 T40 K41 P42 C47 A48 | V37-S44 VanDerWaalsContact CG1-C 3.47Å; V37-S44 WeakPolarHBondContact CG1-O 3.29Å; T40-S44 PolarHBondContact OG1-OG 3.01Å; K41-S44 PolarHBondContact N-OG 2.93Å; K41-S44 PolarHBondContact O-N 3.04Å; K41-S44 PolarHBondContact O-OG 2.84Å; P42-S44 PolarHBondContact O-N 2.95Å; S44-C47 PolarHBondContact O-N 2.83Å; S44-A48 WeakPolarHBondContact O-CB 3.48Å; S44-A48 PolarHBondContact O-N 3.45Å |
| 45 | V | 85.9 | Confident | 83 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 171.3 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | Y34 V37 K41 P42 C47 A48 L49 | Y34-V45 HydrophobicContact CE2-CG1 4.34Å; V37-V45 WeakPolarHBondContact O-CG2 3.38Å; K41-V45 WeakPolarHBondContact O-CG2 3.49Å; K41-V45 PolarHBondContact O-N 2.82Å; P42-V45 PolarHBondContact O-N 3.12Å; V45-C47 VanDerWaalsContact C-N 3.35Å; V45-C47 PolarHBondContact O-N 2.93Å; V45-A48 PolarHBondContact O-N 3.48Å; V45-A48 VanDerWaalsContact O-N 3.17Å; V45-L49 HydrophobicContact CG1-CD1 4Å; V45-L49 HydrophobicContact CG1-CG 4.35Å; V45-L49 WeakPolarHBondContact O-CB 3.44Å; V45-L49 WeakPolarHBondContact O-CG 3.23Å; V45-L49 PolarHBondContact O-N 2.68Å |
| 46 | L | 86.8 | Confident | 83.1 | Confident | 30 Ų | 30 | 57.6 Ų | 57.6 | 16% | 0.157 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 177.9 | -177.5 | 59.3 | 0 | 0 | 0 | 112 | P42 A48 N50 L94 | P42-L46 VanDerWaalsContact O-CB 3.29Å; P42-L46 WeakPolarHBondContact O-CB 3.48Å; P42-L46 PolarHBondContact O-N 3.14Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 3.27Å; L46-N50 WeakPolarHBondContact O-CB 3.38Å; L46-N50 VanDerWaalsContact O-CG 3.3Å; L46-N50 PolarHBondContact O-N 2.99Å; L46-N50 PolarHBondContact O-ND2 3.17Å; L46-L94 HydrophobicContact CD1-CB 4.16Å; L46-L94 HydrophobicContact CD2-CB 3.91Å; L46-L94 HydrophobicContact CD2-CD1 4.23Å |
| 47 | C | 84.5 | Confident | 83.3 | Confident | 58 Ų | 58 | 56.3 Ų | 56.3 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 172.6 | -171.6 | 0 | 0 | 0 | 0 | 112.1 | D43 S44 V45 K51 | D43-C47 VanDerWaalsContact O-CB 3.29Å; D43-C47 WeakPolarHBondContact O-CB 3.29Å; D43-C47 PolarHBondContact O-N 3.5Å; S44-C47 PolarHBondContact O-N 2.83Å; V45-C47 VanDerWaalsContact C-N 3.35Å; V45-C47 PolarHBondContact O-N 2.93Å; C47-K51 WeakPolarHBondContact O-CD 3.41Å; C47-K51 VanDerWaalsContact O-CG 3.27Å; C47-K51 WeakPolarHBondContact O-CG 3.35Å; C47-K51 PolarHBondContact O-N 3.17Å; C47-K51 VanDerWaalsContact SG-CE 3.57Å; C47-K51 PolarHBondContact SG-NZ 2.92Å |
| 48 | A | 86.8 | Confident | 83 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.2 | -45.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y34 V37 S44 V45 L46 N50 K51 T52 | Y34-A48 HydrophobicContact CD2-CB 3.89Å; V37-A48 HydrophobicContact CB-CB 4.29Å; V37-A48 HydrophobicContact CG1-CB 3.98Å; S44-A48 WeakPolarHBondContact O-CB 3.48Å; S44-A48 PolarHBondContact O-N 3.45Å; V45-A48 PolarHBondContact O-N 3.48Å; V45-A48 VanDerWaalsContact O-N 3.17Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 3.27Å; A48-N50 VanDerWaalsContact C-N 3.33Å; A48-N50 PolarHBondContact O-N 2.91Å; A48-K51 WeakPolarHBondContact O-CA 3.42Å; A48-K51 WeakPolarHBondContact O-CB 3.48Å; A48-K51 PolarHBondContact O-N 2.78Å; A48-T52 PolarHBondContact O-N 2.96Å; A48-T52 PolarHBondContact O-OG1 3.02Å |
| 49 | L | 89.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57 | -42.8 | 175.5 | -75.8 | 172.3 | 0 | 0 | 0 | 112.6 | Y34 V45 K51 T52 E53 L84 A99 N102 | Y34-L49 HydrophobicContact CD2-CD2 4.08Å; Y34-L49 HydrophobicContact CD2-CG 4.23Å; Y34-L49 HydrophobicContact CE2-CD2 3.4Å; Y34-L49 VanDerWaalsContact CE2-CD2 3.4Å; Y34-L49 HydrophobicContact CE2-CG 3.69Å; V45-L49 HydrophobicContact CG1-CD1 4Å; V45-L49 HydrophobicContact CG1-CG 4.35Å; V45-L49 WeakPolarHBondContact O-CB 3.44Å; V45-L49 WeakPolarHBondContact O-CG 3.23Å; V45-L49 PolarHBondContact O-N 2.68Å; L49-K51 VanDerWaalsContact C-N 3.3Å; L49-K51 PolarHBondContact O-N 3.5Å; L49-T52 WeakPolarHBondContact CA-OG1 3.5Å; L49-T52 PolarHBondContact O-N 3.03Å; L49-T52 PolarHBondContact O-OG1 3.17Å; L49-E53 VanDerWaalsContact O-CB 3.31Å; L49-E53 WeakPolarHBondContact O-CB 3.49Å; L49-E53 PolarHBondContact O-N 3.38Å; L49-L84 HydrophobicContact CD2-CD2 3.5Å; L49-L84 VanDerWaalsContact CD2-CD2 3.5Å; L49-A99 HydrophobicContact CD1-CB 4.41Å; L49-A99 HydrophobicContact CD2-CB 4.45Å; L49-N102 PolarHBondContact O-ND2 2.73Å |
| 50 | N | 89.7 | Confident | 82.7 | Confident | 72 Ų | 72 | 52.9 Ų | 52.9 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.3 | -30 | 175.7 | -72.4 | -45.1 | 0 | 0 | 0 | 112.3 | L46 A48 N54 | L46-N50 WeakPolarHBondContact O-CB 3.38Å; L46-N50 VanDerWaalsContact O-CG 3.3Å; L46-N50 PolarHBondContact O-N 2.99Å; L46-N50 PolarHBondContact O-ND2 3.17Å; A48-N50 VanDerWaalsContact C-N 3.33Å; A48-N50 PolarHBondContact O-N 2.91Å; N50-N54 WeakPolarHBondContact O-CB 3.47Å; N50-N54 VanDerWaalsContact O-CG 3.29Å; N50-N54 PolarHBondContact O-N 3.38Å; N50-N54 VanDerWaalsContact O-N 3.17Å; N50-N54 PolarHBondContact O-ND2 2.89Å |
| 51 | K | 86.9 | Confident | 82.2 | Confident | 100 Ų | 100 | 54 Ų | 54 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74.3 | -40.9 | 174.5 | -70.3 | 164.1 | -177.5 | 166.5 | 0 | 111.8 | V30 C47 A48 L49 T55 | V30-K51 HydrophobicContact CG1-CB 3.6Å; C47-K51 WeakPolarHBondContact O-CD 3.41Å; C47-K51 VanDerWaalsContact O-CG 3.27Å; C47-K51 WeakPolarHBondContact O-CG 3.35Å; C47-K51 PolarHBondContact O-N 3.17Å; C47-K51 VanDerWaalsContact SG-CE 3.57Å; C47-K51 PolarHBondContact SG-NZ 2.92Å; A48-K51 WeakPolarHBondContact O-CA 3.42Å; A48-K51 WeakPolarHBondContact O-CB 3.48Å; A48-K51 PolarHBondContact O-N 2.78Å; L49-K51 VanDerWaalsContact C-N 3.3Å; L49-K51 PolarHBondContact O-N 3.5Å; K51-T55 WeakPolarHBondContact O-CB 3.42Å; K51-T55 PolarHBondContact O-N 3.5Å; K51-T55 PolarHBondContact O-OG1 2.75Å |
| 52 | T | 85.7 | Confident | 81.6 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 173.9 | 50.8 | 0 | 0 | 0 | 0 | 110.8 | V30 F31 Y34 A48 L49 N54 T55 L56 N102 | V30-T52 HydrophobicContact CG1-CG2 3.91Å; F31-T52 HydrophobicContact CD1-CG2 3.86Å; F31-T52 HydrophobicContact CE1-CG2 4.13Å; Y34-T52 HydrophobicContact CG-CG2 4.27Å; A48-T52 PolarHBondContact O-N 2.96Å; A48-T52 PolarHBondContact O-OG1 3.02Å; L49-T52 WeakPolarHBondContact CA-OG1 3.5Å; L49-T52 PolarHBondContact O-N 3.03Å; L49-T52 PolarHBondContact O-OG1 3.17Å; T52-N54 PolarHBondContact O-N 3.46Å; T52-T55 CarbonylContact O-C 3.57Å; T52-T55 PolarHBondContact O-N 2.85Å; T52-L56 WeakPolarHBondContact O-CG 3.5Å; T52-L56 PolarHBondContact O-N 2.84Å; T52-N102 VanDerWaalsContact CB-OD1 3.24Å; T52-N102 WeakPolarHBondContact CB-OD1 3.49Å; T52-N102 PolarHBondContact OG1-OD1 3.01Å |
| 53 | E | 88.7 | Confident | 80.6 | Confident | 42 Ų | 42 | 48.8 Ų | 48.8 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.8 | -48.7 | 177.9 | -162.4 | 176.8 | 142.2 | 0 | 0 | 111.2 | L49 T55 L56 N57 S98 Q101 N102 L105 | L49-E53 VanDerWaalsContact O-CB 3.31Å; L49-E53 WeakPolarHBondContact O-CB 3.49Å; L49-E53 PolarHBondContact O-N 3.38Å; E53-T55 VanDerWaalsContact C-N 3.29Å; E53-T55 PolarHBondContact O-N 3.42Å; E53-L56 PolarHBondContact O-N 3.48Å; E53-N57 WeakPolarHBondContact O-CB 3.42Å; E53-N57 PolarHBondContact O-N 2.91Å; E53-N57 PolarHBondContact O-ND2 3Å; E53-N57 VanDerWaalsContact O-ND2 3.08Å; E53-S98 WeakPolarHBondContact OE2-CB 3.01Å; E53-S98 PolarHBondContact OE2-OG 2.78Å; E53-Q101 HydrophobicContact CG-CG 4.09Å; E53-Q101 WeakPolarHBondContact OE1-CG 3.24Å; E53-N102 WeakPolarHBondContact CA-OD1 3.31Å; E53-N102 PolarHBondContact N-OD1 3.38Å; E53-L105 HydrophobicContact CG-CD1 3.7Å |
| 54 | N | 84.9 | Confident | 79.1 | Confident | 112 Ų | 112 | 48.2 Ų | 48.2 | 60% | 0.599 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.3 | -33.9 | 174.3 | -74.5 | -39.9 | 0 | 0 | 0 | 112.9 | N50 T52 A58 | N50-N54 WeakPolarHBondContact O-CB 3.47Å; N50-N54 VanDerWaalsContact O-CG 3.29Å; N50-N54 PolarHBondContact O-N 3.38Å; N50-N54 VanDerWaalsContact O-N 3.17Å; N50-N54 PolarHBondContact O-ND2 2.89Å; T52-N54 PolarHBondContact O-N 3.46Å; N54-A58 WeakPolarHBondContact O-CB 3.41Å; N54-A58 PolarHBondContact O-N 3.01Å |
| 55 | T | 82.9 | Confident | 77.5 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.4 | -38.9 | 178 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | M1 V30 F31 K51 T52 E53 A58 L59 | M1-T55 HydrophobicContact CB-CG2 4.36Å; M1-T55 HydrophobicContact SD-CG2 4.31Å; V30-T55 HydrophobicContact CG2-CG2 4.49Å; F31-T55 HydrophobicContact CE2-CG2 3.84Å; F31-T55 HydrophobicContact CZ-CG2 3.77Å; K51-T55 WeakPolarHBondContact O-CB 3.42Å; K51-T55 PolarHBondContact O-N 3.5Å; K51-T55 PolarHBondContact O-OG1 2.75Å; T52-T55 CarbonylContact O-C 3.57Å; T52-T55 PolarHBondContact O-N 2.85Å; E53-T55 VanDerWaalsContact C-N 3.29Å; E53-T55 PolarHBondContact O-N 3.42Å; T55-A58 WeakPolarHBondContact O-CB 3.27Å; T55-A58 PolarHBondContact O-N 2.93Å; T55-L59 HydrophobicContact CG2-CD1 4.46Å; T55-L59 WeakPolarHBondContact O-CG 3.24Å; T55-L59 PolarHBondContact O-N 3.48Å |
| 56 | L | 83.2 | Confident | 75.8 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.8 | -41.8 | 175.9 | -68.6 | 162.2 | 0 | 0 | 0 | 111.5 | F31 T52 E53 A58 L59 L60 N102 L105 I106 V109 | F31-L56 HydrophobicContact CE1-CD1 4.24Å; F31-L56 HydrophobicContact CE1-CD2 3.8Å; F31-L56 HydrophobicContact CE1-CG 3.81Å; F31-L56 HydrophobicContact CZ-CD2 3.88Å; F31-L56 HydrophobicContact CZ-CG 4.02Å; T52-L56 WeakPolarHBondContact O-CG 3.5Å; T52-L56 PolarHBondContact O-N 2.84Å; E53-L56 PolarHBondContact O-N 3.48Å; L56-A58 VanDerWaalsContact C-N 3.29Å; L56-A58 PolarHBondContact O-N 2.79Å; L56-L59 PolarHBondContact O-N 3.43Å; L56-L60 WeakPolarHBondContact O-CG 3.3Å; L56-L60 PolarHBondContact O-N 3.3Å; L56-N102 HydrophobicContact CD1-CB 4.46Å; L56-N102 WeakPolarHBondContact CD1-OD1 3.43Å; L56-L105 HydrophobicContact CB-CB 3.89Å; L56-L105 HydrophobicContact CB-CD1 4.22Å; L56-L105 HydrophobicContact CD1-CB 4.01Å; L56-L105 HydrophobicContact CG-CB 4.49Å; L56-I106 HydrophobicContact CD1-CD1 4.3Å; L56-I106 HydrophobicContact CD1-CG1 3.77Å; L56-I106 HydrophobicContact CD2-CG1 3.91Å; L56-V109 HydrophobicContact CD2-CG2 4.07Å |
| 57 | N | 83.3 | Confident | 74.1 | Confident | 63 Ų | 63 | 58 Ų | 58 | 34% | 0.337 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 171.3 | -74.6 | -41 | 0 | 0 | 0 | 111.1 | E53 L60 S61 L105 | E53-N57 WeakPolarHBondContact O-CB 3.42Å; E53-N57 PolarHBondContact O-N 2.91Å; E53-N57 PolarHBondContact O-ND2 3Å; E53-N57 VanDerWaalsContact O-ND2 3.08Å; N57-L60 PolarHBondContact O-N 3.04Å; N57-S61 VanDerWaalsContact O-CB 3.25Å; N57-S61 WeakPolarHBondContact O-CB 3.41Å; N57-S61 PolarHBondContact O-N 2.93Å; N57-S61 PolarHBondContact O-OG 3.33Å; N57-L105 VanDerWaalsContact OD1-CD2 3.3Å; N57-L105 WeakPolarHBondContact OD1-CD2 3.46Å |
| 58 | A | 77.4 | Confident | 72.6 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 42% | 0.421 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.4 | -47.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N54 T55 L56 L60 S61 S62 | N54-A58 WeakPolarHBondContact O-CB 3.41Å; N54-A58 PolarHBondContact O-N 3.01Å; T55-A58 WeakPolarHBondContact O-CB 3.27Å; T55-A58 PolarHBondContact O-N 2.93Å; L56-A58 VanDerWaalsContact C-N 3.29Å; L56-A58 PolarHBondContact O-N 2.79Å; A58-L60 VanDerWaalsContact C-N 3.34Å; A58-L60 PolarHBondContact O-N 3.39Å; A58-S61 WeakPolarHBondContact CA-OG 3.44Å; A58-S61 PolarHBondContact O-N 2.98Å; A58-S61 VanDerWaalsContact O-N 3.08Å; A58-S61 PolarHBondContact O-OG 3.16Å; A58-S62 PolarHBondContact O-N 3.34Å; A58-S62 VanDerWaalsContact O-N 3.07Å |
| 59 | L | 72.7 | Confident | 71.3 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 13% | 0.131 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.9 | -35.5 | 177.5 | -73 | 166.3 | 0 | 0 | 0 | 113.4 | M1 F31 T55 L56 S62 I73 | M1-L59 HydrophobicContact CE-CD2 4.49Å; F31-L59 HydrophobicContact CE2-CD1 4.45Å; F31-L59 HydrophobicContact CZ-CD1 4.3Å; T55-L59 HydrophobicContact CG2-CD1 4.46Å; T55-L59 WeakPolarHBondContact O-CG 3.24Å; T55-L59 PolarHBondContact O-N 3.48Å; L56-L59 PolarHBondContact O-N 3.43Å; L59-S62 PolarHBondContact O-OG 2.94Å; L59-I73 HydrophobicContact CD1-CD1 3.97Å |
| 60 | L | 73.4 | Confident | 70.1 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -76.9 | -25.8 | 173.7 | -69 | 169.7 | 0 | 0 | 0 | 112.5 | L56 N57 A58 L105 R108 V109 | L56-L60 WeakPolarHBondContact O-CG 3.3Å; L56-L60 PolarHBondContact O-N 3.3Å; N57-L60 PolarHBondContact O-N 3.04Å; A58-L60 VanDerWaalsContact C-N 3.34Å; A58-L60 PolarHBondContact O-N 3.39Å; L60-L105 HydrophobicContact CD1-CB 4.5Å; L60-L105 HydrophobicContact CD1-CD2 3.63Å; L60-R108 HydrophobicContact CD1-CB 3.89Å; L60-R108 HydrophobicContact CD2-CB 4.04Å; L60-V109 HydrophobicContact CD1-CG2 4.2Å; L60-V109 HydrophobicContact CD2-CG2 3.71Å; L60-V109 HydrophobicContact CG-CG2 3.74Å |
| 61 | S | 70.5 | Confident | 69.1 | Low | 94 Ų | 94 | 63.3 Ų | 63.3 | 66% | 0.657 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -83.3 | -18.8 | 179.8 | 73.4 | 0 | 0 | 0 | 0 | 114.6 | N57 A58 G63 | N57-S61 VanDerWaalsContact O-CB 3.25Å; N57-S61 WeakPolarHBondContact O-CB 3.41Å; N57-S61 PolarHBondContact O-N 2.93Å; N57-S61 PolarHBondContact O-OG 3.33Å; A58-S61 WeakPolarHBondContact CA-OG 3.44Å; A58-S61 PolarHBondContact O-N 2.98Å; A58-S61 VanDerWaalsContact O-N 3.08Å; A58-S61 PolarHBondContact O-OG 3.16Å; S61-G63 PolarHBondContact O-N 3.12Å |
| 62 | S | 61.6 | Low | 68.2 | Low | 64 Ų | 64 | 60 Ų | 60 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -66.4 | -22 | -175.6 | 36.7 | 0 | 0 | 0 | 0 | 113.9 | A58 L59 D64 | A58-S62 PolarHBondContact O-N 3.34Å; A58-S62 VanDerWaalsContact O-N 3.07Å; L59-S62 PolarHBondContact O-OG 2.94Å; S62-D64 PolarHBondContact O-N 3.47Å |
| 63 | G | 54.9 | Low | 67.5 | Low | 59 Ų | 59 | 60.1 Ų | 60.1 | 61% | 0.608 | 37% | 0.368 | S | S | * | . | trans | 72.7 | -46.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | S61 L65 | S61-G63 PolarHBondContact O-N 3.12Å; G63-L65 PolarHBondContact O-N 3.32Å | ||
| 64 | D | 50.3 | Low | 66.4 | Low | 118 Ų | 118 | 60 Ų | 60 | 63% | 0.631 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -56.7 | 133.7 | 164.4 | -80.7 | -42.9 | 0 | 0 | 0 | 109.3 | S62 C66 | S62-D64 PolarHBondContact O-N 3.47Å; D64-C66 PolarHBondContact O-N 2.79Å |
| 65 | L | 46.5 | Very low | 65.8 | Low | 131 Ų | 131 | 60.9 Ų | 60.9 | 69% | 0.686 | 38% | 0.375 | S | S | * | . | trans | -56.2 | 105.1 | 179.1 | -170.8 | 79.3 | 0 | 0 | 0 | 109.4 | G63 V67 | G63-L65 PolarHBondContact O-N 3.32Å; L65-V67 VanDerWaalsContact C-N 3.28Å; L65-V67 PolarHBondContact O-N 2.88Å | ||
| 66 | C | 50.6 | Low | 65.4 | Low | 33 Ų | 33 | 61.7 Ų | 61.7 | 22% | 0.223 | 38% | 0.379 | C | S | . | . | trans | -80.2 | 77.6 | -169.9 | -162.5 | 0 | 0 | 0 | 0 | 110.6 | D64 D68 I69 | D64-C66 PolarHBondContact O-N 2.79Å; C66-D68 PolarHBondContact O-N 3.43Å; C66-I69 VanDerWaalsContact O-CG1 3.31Å; C66-I69 WeakPolarHBondContact O-CG1 3.31Å; C66-I69 PolarHBondContact O-N 3.1Å | ||
| 67 | V | 51.1 | Low | 65.2 | Low | 124 Ų | 124 | 62.6 Ų | 62.6 | 75% | 0.752 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -38.6 | 174.6 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | L65 I69 | L65-V67 VanDerWaalsContact C-N 3.28Å; L65-V67 PolarHBondContact O-N 2.88Å; V67-I69 VanDerWaalsContact C-N 3.26Å; V67-I69 PolarHBondContact O-N 3.31Å; V67-I69 VanDerWaalsContact O-N 3.12Å |
| 68 | D | 53 | Low | 65 | Low | 130 Ų | 130 | 63.1 Ų | 63.1 | 70% | 0.695 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 52.6 | 173.9 | -62.2 | -41.8 | 0 | 0 | 0 | 113 | C66 C70 | C66-D68 PolarHBondContact O-N 3.43Å; D68-C70 PolarHBondContact O-N 3.28Å |
| 69 | I | 59.4 | Low | 65.2 | Low | 19 Ų | 19 | 69 Ų | 69 | 10% | 0.097 | 40% | 0.396 | C | S | . | . | trans | -54.3 | 128.8 | 160.2 | -50.4 | 180 | 0 | 0 | 0 | 107 | C66 V67 S71 I73 C113 L114 | C66-I69 VanDerWaalsContact O-CG1 3.31Å; C66-I69 WeakPolarHBondContact O-CG1 3.31Å; C66-I69 PolarHBondContact O-N 3.1Å; V67-I69 VanDerWaalsContact C-N 3.26Å; V67-I69 PolarHBondContact O-N 3.31Å; V67-I69 VanDerWaalsContact O-N 3.12Å; I69-S71 PolarHBondContact O-N 3.15Å; I69-S71 VanDerWaalsContact O-N 3.07Å; I69-I73 HydrophobicContact CG2-CB 4.23Å; I69-I73 HydrophobicContact CG2-CD1 3.93Å; I69-C113 HydrophobicContact CD1-CB 3.31Å; I69-C113 HydrophobicContact CG1-CB 3.84Å; I69-L114 HydrophobicContact CD1-CD1 4.22Å; I69-L114 HydrophobicContact CD1-CD2 3.42Å; I69-L114 VanDerWaalsContact CD1-CD2 3.42Å; I69-L114 HydrophobicContact CD1-CG 3.56Å | ||
| 70 | C | 66 | Low | 65.7 | Low | 22 Ų | 22 | 68 Ų | 68 | 15% | 0.149 | 39% | 0.39 | C | S | . | . | trans | -51.8 | 123.6 | -179.3 | -169.1 | 0 | 0 | 0 | 0 | 111.3 | M1 C29 D68 C72 I73 S74 | M1-C70 HydrophobicContact CE-CB 3.7Å; M1-C70 HydrophobicContact SD-CB 3.55Å; M1-C70 VanDerWaalsContact SD-CB 3.55Å; C29-C70 PolarHBondContact SG-SG 2.96Å; D68-C70 PolarHBondContact O-N 3.28Å; C70-C72 PolarHBondContact O-N 3.36Å; C70-I73 HydrophobicContact CB-CG1 4.42Å; C70-I73 WeakPolarHBondContact O-CB 3.44Å; C70-I73 PolarHBondContact O-N 2.66Å; C70-S74 PolarHBondContact O-N 2.73Å | ||
| 71 | S | 67.2 | Low | 66.3 | Low | 72 Ų | 72 | 65.6 Ų | 65.6 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -50.6 | -29.5 | 176.8 | 56.4 | 0 | 0 | 0 | 0 | 112.5 | I69 I73 S74 I75 | I69-S71 PolarHBondContact O-N 3.15Å; I69-S71 VanDerWaalsContact O-N 3.07Å; S71-I73 VanDerWaalsContact C-N 3.33Å; S71-I73 PolarHBondContact O-N 3.5Å; S71-S74 PolarHBondContact O-N 3.09Å; S71-I75 VanDerWaalsContact O-CB 3.25Å; S71-I75 WeakPolarHBondContact O-CB 3.27Å; S71-I75 WeakPolarHBondContact O-CD1 3.46Å; S71-I75 WeakPolarHBondContact O-CG1 3.43Å; S71-I75 PolarHBondContact O-N 3.47Å |
| 72 | C | 68.2 | Low | 67 | Low | 31 Ų | 31 | 62.8 Ų | 62.8 | 21% | 0.209 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.6 | -35.4 | 174.3 | -62.4 | 0 | 0 | 0 | 0 | 113.7 | C29 C70 N76 | C29-C72 HydrophobicContact CB-CB 3.86Å; C29-C72 WeakPolarHBondContact CB-SG 3.36Å; C70-C72 PolarHBondContact O-N 3.36Å; C72-N76 WeakPolarHBondContact O-CB 3.25Å; C72-N76 PolarHBondContact O-N 3.09Å; C72-N76 PolarHBondContact O-ND2 3.28Å; C72-N76 VanDerWaalsContact O-ND2 3.12Å |
| 73 | I | 70.9 | Confident | 68.2 | Low | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.8 | -57.8 | 171.2 | -54.4 | 176.9 | 0 | 0 | 0 | 108.5 | F31 L59 I69 C70 S71 I75 N76 I77 | F31-I73 HydrophobicContact CD1-CG1 4.3Å; F31-I73 HydrophobicContact CD2-CD1 3.93Å; F31-I73 HydrophobicContact CD2-CG1 3.45Å; F31-I73 VanDerWaalsContact CD2-CG1 3.45Å; F31-I73 HydrophobicContact CE1-CD1 4.28Å; F31-I73 HydrophobicContact CE1-CG1 4.39Å; F31-I73 HydrophobicContact CE2-CD1 3.47Å; F31-I73 VanDerWaalsContact CE2-CD1 3.47Å; F31-I73 HydrophobicContact CE2-CG1 3.57Å; F31-I73 HydrophobicContact CG-CG1 3.86Å; F31-I73 HydrophobicContact CZ-CD1 3.66Å; F31-I73 HydrophobicContact CZ-CG1 4.05Å; L59-I73 HydrophobicContact CD1-CD1 3.97Å; I69-I73 HydrophobicContact CG2-CB 4.23Å; I69-I73 HydrophobicContact CG2-CD1 3.93Å; C70-I73 HydrophobicContact CB-CG1 4.42Å; C70-I73 WeakPolarHBondContact O-CB 3.44Å; C70-I73 PolarHBondContact O-N 2.66Å; S71-I73 VanDerWaalsContact C-N 3.33Å; S71-I73 PolarHBondContact O-N 3.5Å; I73-I75 PolarHBondContact O-N 3.25Å; I73-I75 VanDerWaalsContact O-N 3.16Å; I73-N76 PolarHBondContact O-N 2.75Å; I73-I77 HydrophobicContact CG2-CD1 4.38Å; I73-I77 WeakPolarHBondContact O-CA 3.28Å; I73-I77 WeakPolarHBondContact O-CB 3.29Å; I73-I77 PolarHBondContact O-N 3.26Å |
| 74 | S | 66.9 | Low | 69.8 | Low | 39 Ų | 39 | 57.2 Ų | 57.2 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55 | -36.1 | -175.1 | -68.9 | 0 | 0 | 0 | 0 | 114 | C70 S71 R118 | C70-S74 PolarHBondContact O-N 2.73Å; S71-S74 PolarHBondContact O-N 3.09Å; S74-R118 PolarHBondContact OG-NH1 3.42Å |
| 75 | I | 72.2 | Confident | 71.5 | Confident | 131 Ų | 131 | 51.7 Ų | 51.7 | 67% | 0.672 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -86.5 | -29.9 | -177.4 | -64.5 | 166.8 | 0 | 0 | 0 | 112.4 | S71 I73 | S71-I75 VanDerWaalsContact O-CB 3.25Å; S71-I75 WeakPolarHBondContact O-CB 3.27Å; S71-I75 WeakPolarHBondContact O-CD1 3.46Å; S71-I75 WeakPolarHBondContact O-CG1 3.43Å; S71-I75 PolarHBondContact O-N 3.47Å; I73-I75 PolarHBondContact O-N 3.25Å; I73-I75 VanDerWaalsContact O-N 3.16Å |
| 76 | N | 73.5 | Confident | 73.4 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 18% | 0.176 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -113.8 | 20.8 | -174.2 | -59.6 | -88 | 0 | 0 | 0 | 113.4 | L35 C72 I73 E78 R79 L80 | L35-N76 HydrophobicContact CD1-CB 3.88Å; C72-N76 WeakPolarHBondContact O-CB 3.25Å; C72-N76 PolarHBondContact O-N 3.09Å; C72-N76 PolarHBondContact O-ND2 3.28Å; C72-N76 VanDerWaalsContact O-ND2 3.12Å; I73-N76 PolarHBondContact O-N 2.75Å; N76-E78 PolarHBondContact O-N 3.48Å; N76-R79 HydrophobicContact CB-CB 4.38Å; N76-R79 WeakPolarHBondContact O-CB 3.31Å; N76-R79 PolarHBondContact O-N 3.43Å; N76-L80 WeakPolarHBondContact O-CB 3.48Å; N76-L80 PolarHBondContact O-N 3.32Å |
| 77 | I | 78.6 | Confident | 75.1 | Confident | 20 Ų | 20 | 48.8 Ų | 48.8 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -41.3 | -169.5 | -163.2 | 156 | 0 | 0 | 0 | 113.3 | I73 R79 L80 I81 V110 C122 | I73-I77 HydrophobicContact CG2-CD1 4.38Å; I73-I77 WeakPolarHBondContact O-CA 3.28Å; I73-I77 WeakPolarHBondContact O-CB 3.29Å; I73-I77 PolarHBondContact O-N 3.26Å; I77-R79 PolarHBondContact O-N 3.31Å; I77-L80 PolarHBondContact O-N 3.16Å; I77-I81 HydrophobicContact CG1-CD1 4.1Å; I77-I81 WeakPolarHBondContact O-CB 3.47Å; I77-I81 WeakPolarHBondContact O-CG1 3.31Å; I77-I81 PolarHBondContact O-N 3.3Å; I77-V110 HydrophobicContact CD1-CG2 3.51Å; I77-C122 WeakPolarHBondContact CD1-SG 3.34Å |
| 78 | E | 79.8 | Confident | 76.8 | Confident | 75 Ų | 75 | 43 Ų | 43 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 175.1 | -59 | -166.9 | 125.4 | 0 | 0 | 112.4 | N76 L80 I81 S82 R128 | N76-E78 PolarHBondContact O-N 3.48Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-I81 PolarHBondContact O-N 3.07Å; E78-S82 VanDerWaalsContact O-CB 3.31Å; E78-S82 WeakPolarHBondContact O-CB 3.43Å; E78-S82 PolarHBondContact O-N 2.84Å; E78-R128 IonicContact OE1-CZ 3.2Å; E78-R128 IonicContact OE1-NH1 2.66Å; E78-R128 PolarHBondContact OE1-NH1 2.78Å; E78-R128 IonicContact OE1-NH2 2.71Å; E78-R128 PolarHBondContact OE1-NH2 2.71Å; E78-R128 IonicContact OE2-NH1 2.73Å |
| 79 | R | 82 | Confident | 78.3 | Confident | 174 Ų | 174 | 38.6 Ų | 38.6 | 66% | 0.657 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -65.6 | -39.8 | 176.5 | -68.2 | 178.4 | 169.7 | 178.3 | -6.7 | 111.1 | L35 N76 I77 S82 A83 | L35-R79 HydrophobicContact CD1-CB 4.44Å; L35-R79 HydrophobicContact CD2-CB 4.1Å; N76-R79 HydrophobicContact CB-CB 4.38Å; N76-R79 WeakPolarHBondContact O-CB 3.31Å; N76-R79 PolarHBondContact O-N 3.43Å; I77-R79 PolarHBondContact O-N 3.31Å; R79-S82 PolarHBondContact O-N 3.02Å; R79-A83 WeakPolarHBondContact O-CB 3.49Å; R79-A83 PolarHBondContact O-N 3.18Å |
| 80 | L | 83.4 | Confident | 79.5 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.6 | -43 | 177.1 | -176.8 | 60.8 | 0 | 0 | 0 | 111.4 | F31 Y34 N76 I77 E78 L84 I106 | F31-L80 HydrophobicContact CD1-CD1 4.48Å; F31-L80 HydrophobicContact CD1-CD2 3.91Å; F31-L80 HydrophobicContact CG-CD2 4.48Å; Y34-L80 HydrophobicContact CD1-CD1 3.59Å; Y34-L80 HydrophobicContact CE1-CD1 3.93Å; N76-L80 WeakPolarHBondContact O-CB 3.48Å; N76-L80 PolarHBondContact O-N 3.32Å; I77-L80 PolarHBondContact O-N 3.16Å; E78-L80 VanDerWaalsContact C-N 3.34Å; L80-L84 HydrophobicContact CD1-CD1 4.36Å; L80-L84 HydrophobicContact CG-CD1 4.26Å; L80-L84 WeakPolarHBondContact O-CB 3.21Å; L80-L84 VanDerWaalsContact O-CG 3.31Å; L80-L84 WeakPolarHBondContact O-CG 3.25Å; L80-L84 PolarHBondContact O-N 2.84Å; L80-I106 HydrophobicContact CD2-CD1 3.65Å; L80-I106 HydrophobicContact CD2-CG1 4.39Å; L80-I106 HydrophobicContact CG-CD1 3.84Å |
| 81 | I | 86.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -47.9 | 173.4 | -70.5 | 168.7 | 0 | 0 | 0 | 110.5 | I77 E78 A83 L84 V85 L103 C122 L126 | I77-I81 HydrophobicContact CG1-CD1 4.1Å; I77-I81 WeakPolarHBondContact O-CB 3.47Å; I77-I81 WeakPolarHBondContact O-CG1 3.31Å; I77-I81 PolarHBondContact O-N 3.3Å; E78-I81 PolarHBondContact O-N 3.07Å; I81-A83 PolarHBondContact O-N 3.11Å; I81-L84 PolarHBondContact O-N 3.39Å; I81-V85 HydrophobicContact CG2-CG2 4.18Å; I81-V85 WeakPolarHBondContact O-CB 3.31Å; I81-V85 VanDerWaalsContact O-CG2 3.3Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 3.39Å; I81-L103 HydrophobicContact CG1-CD1 4.36Å; I81-C122 HydrophobicContact CD1-CB 3.72Å; I81-L126 HydrophobicContact CG2-CD2 3.83Å; I81-L126 HydrophobicContact CG2-CG 3.94Å |
| 82 | S | 84.4 | Confident | 81 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 25% | 0.245 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 177.1 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | E78 R79 L84 V85 F86 H129 | E78-S82 VanDerWaalsContact O-CB 3.31Å; E78-S82 WeakPolarHBondContact O-CB 3.43Å; E78-S82 PolarHBondContact O-N 2.84Å; R79-S82 PolarHBondContact O-N 3.02Å; S82-L84 PolarHBondContact O-N 3.3Å; S82-V85 PolarHBondContact O-N 3.1Å; S82-F86 WeakPolarHBondContact O-CB 3.37Å; S82-F86 PolarHBondContact O-N 2.97Å; S82-H129 PolarHBondContact OG-ND1 3.41Å |
| 83 | A | 85.8 | Confident | 81.8 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65 | -36.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y34 L35 C38 R79 I81 S87 | Y34-A83 HydrophobicContact CE1-CB 3.72Å; Y34-A83 VanDerWaalsContact OH-C 3.26Å; Y34-A83 PolarHBondContact OH-O 2.93Å; L35-A83 HydrophobicContact CD2-CB 4Å; C38-A83 HydrophobicContact CB-CB 4.22Å; R79-A83 WeakPolarHBondContact O-CB 3.49Å; R79-A83 PolarHBondContact O-N 3.18Å; I81-A83 PolarHBondContact O-N 3.11Å; A83-S87 WeakPolarHBondContact O-CB 3.36Å; A83-S87 PolarHBondContact O-N 2.92Å; A83-S87 PolarHBondContact O-OG 3.3Å |
| 84 | L | 88.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.1 | -41.2 | 174.8 | -75.6 | 167.3 | 0 | 0 | 0 | 112.3 | Y34 L49 L80 I81 S82 F86 S87 L88 A99 N102 I106 | Y34-L84 HydrophobicContact CE1-CD2 4.16Å; Y34-L84 HydrophobicContact CE1-CG 4.03Å; Y34-L84 PolarHBondContact OH-N 3.15Å; L49-L84 HydrophobicContact CD2-CD2 3.5Å; L49-L84 VanDerWaalsContact CD2-CD2 3.5Å; L80-L84 HydrophobicContact CD1-CD1 4.36Å; L80-L84 HydrophobicContact CG-CD1 4.26Å; L80-L84 WeakPolarHBondContact O-CB 3.21Å; L80-L84 VanDerWaalsContact O-CG 3.31Å; L80-L84 WeakPolarHBondContact O-CG 3.25Å; L80-L84 PolarHBondContact O-N 2.84Å; I81-L84 PolarHBondContact O-N 3.39Å; S82-L84 PolarHBondContact O-N 3.3Å; L84-F86 VanDerWaalsContact C-N 3.3Å; L84-F86 PolarHBondContact O-N 3.41Å; L84-S87 CarbonylContact O-C 3.56Å; L84-S87 WeakPolarHBondContact O-CA 3.4Å; L84-S87 WeakPolarHBondContact O-CB 3.5Å; L84-S87 PolarHBondContact O-N 2.89Å; L84-S87 VanDerWaalsContact O-N 3.11Å; L84-L88 WeakPolarHBondContact O-CG 3.3Å; L84-L88 PolarHBondContact O-N 3.41Å; L84-A99 HydrophobicContact CD2-CB 4.23Å; L84-N102 HydrophobicContact CD1-CB 4.21Å; L84-N102 HydrophobicContact CD2-CB 3.73Å; L84-I106 HydrophobicContact CD1-CD1 3.27Å |
| 85 | V | 88 | Confident | 83.4 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 173.8 | 168 | 0 | 0 | 0 | 0 | 111 | I81 S82 L88 L126 V139 | I81-V85 HydrophobicContact CG2-CG2 4.18Å; I81-V85 WeakPolarHBondContact O-CB 3.31Å; I81-V85 VanDerWaalsContact O-CG2 3.3Å; I81-V85 WeakPolarHBondContact O-CG2 3.42Å; I81-V85 PolarHBondContact O-N 3.39Å; S82-V85 PolarHBondContact O-N 3.1Å; V85-L88 WeakPolarHBondContact O-CB 3.42Å; V85-L88 PolarHBondContact O-N 3.49Å; V85-L126 HydrophobicContact CG2-CD2 3.79Å; V85-V139 HydrophobicContact CG1-CG1 3.48Å; V85-V139 VanDerWaalsContact CG1-CG1 3.48Å |
| 86 | F | 85.3 | Confident | 84.1 | Confident | 97 Ų | 97 | 49.1 Ų | 49.1 | 43% | 0.425 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 169.8 | -172.7 | -101.9 | 0 | 0 | 0 | 111.5 | W39 S82 L84 L88 S89 | W39-F86 HydrophobicContact CE3-CD1 4.29Å; W39-F86 AromaticContact CE3-CE1 3.95Å; W39-F86 HydrophobicContact CE3-CE1 3.95Å; W39-F86 HydrophobicContact CE3-CZ 4.35Å; W39-F86 HydrophobicContact CH2-CD1 4.19Å; W39-F86 HydrophobicContact CH2-CD2 4.32Å; W39-F86 HydrophobicContact CH2-CE1 4.43Å; W39-F86 HydrophobicContact CH2-CG 4.14Å; W39-F86 AromaticContact CZ3-CD1 3.69Å; W39-F86 HydrophobicContact CZ3-CD1 3.69Å; W39-F86 HydrophobicContact CZ3-CD2 4.13Å; W39-F86 AromaticContact CZ3-CE1 3.52Å; W39-F86 HydrophobicContact CZ3-CE1 3.52Å; W39-F86 AromaticContact CZ3-CE2 3.98Å; W39-F86 HydrophobicContact CZ3-CE2 3.98Å; W39-F86 AromaticContact CZ3-CG 4Å; W39-F86 HydrophobicContact CZ3-CG 4Å; W39-F86 AromaticContact CZ3-CZ 3.68Å; W39-F86 HydrophobicContact CZ3-CZ 3.68Å; S82-F86 WeakPolarHBondContact O-CB 3.37Å; S82-F86 PolarHBondContact O-N 2.97Å; L84-F86 VanDerWaalsContact C-N 3.3Å; L84-F86 PolarHBondContact O-N 3.41Å; F86-L88 VanDerWaalsContact C-N 3.27Å; F86-L88 PolarHBondContact O-N 3.19Å; F86-S89 WeakPolarHBondContact O-CB 3.45Å; F86-S89 PolarHBondContact O-N 2.81Å; F86-S89 PolarHBondContact O-OG 2.83Å |
| 87 | S | 86.6 | Confident | 84.9 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 4% | 0.035 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -27.2 | 177.8 | -60 | 0 | 0 | 0 | 0 | 113.8 | Y34 A83 L84 S89 S90 | Y34-S87 PolarHBondContact OH-OG 3.02Å; A83-S87 WeakPolarHBondContact O-CB 3.36Å; A83-S87 PolarHBondContact O-N 2.92Å; A83-S87 PolarHBondContact O-OG 3.3Å; L84-S87 CarbonylContact O-C 3.56Å; L84-S87 WeakPolarHBondContact O-CA 3.4Å; L84-S87 WeakPolarHBondContact O-CB 3.5Å; L84-S87 PolarHBondContact O-N 2.89Å; L84-S87 VanDerWaalsContact O-N 3.11Å; S87-S89 PolarHBondContact O-N 2.87Å; S87-S90 VanDerWaalsContact O-CB 3.23Å; S87-S90 WeakPolarHBondContact O-CB 3.48Å; S87-S90 PolarHBondContact O-N 2.98Å |
| 88 | L | 86.2 | Confident | 85.4 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.9 | 170.3 | -71.4 | 177.7 | 0 | 0 | 0 | 113.2 | L84 V85 F86 R96 A99 T100 L103 S142 L143 A146 I150 | L84-L88 WeakPolarHBondContact O-CG 3.3Å; L84-L88 PolarHBondContact O-N 3.41Å; V85-L88 WeakPolarHBondContact O-CB 3.42Å; V85-L88 PolarHBondContact O-N 3.49Å; F86-L88 VanDerWaalsContact C-N 3.27Å; F86-L88 PolarHBondContact O-N 3.19Å; L88-R96 WeakPolarHBondContact O-CD 3.33Å; L88-R96 VanDerWaalsContact O-CG 3.25Å; L88-R96 WeakPolarHBondContact O-CG 3.33Å; L88-A99 HydrophobicContact CD2-CB 3.99Å; L88-A99 HydrophobicContact CG-CB 4.35Å; L88-T100 WeakPolarHBondContact CD2-OG1 3.47Å; L88-L103 HydrophobicContact CD1-CD2 4.1Å; L88-S142 WeakPolarHBondContact O-CB 3.5Å; L88-S142 PolarHBondContact O-OG 3.37Å; L88-L143 HydrophobicContact CD1-CB 4.49Å; L88-L143 HydrophobicContact CD1-CD1 3.82Å; L88-A146 HydrophobicContact CD1-CB 4.3Å; L88-A146 HydrophobicContact CD2-CB 4.27Å; L88-I150 HydrophobicContact CD1-CD1 4.47Å |
| 89 | S | 85.4 | Confident | 85.9 | Confident | 36 Ų | 36 | 51.1 Ų | 51.1 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -3.2 | 176.8 | 76.3 | 0 | 0 | 0 | 0 | 114.4 | F86 S87 | F86-S89 WeakPolarHBondContact O-CB 3.45Å; F86-S89 PolarHBondContact O-N 2.81Å; F86-S89 PolarHBondContact O-OG 2.83Å; S87-S89 PolarHBondContact O-N 2.87Å |
| 90 | S | 83.8 | Confident | 86.3 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | trans | -58.2 | 144.9 | 177.7 | -171.4 | 0 | 0 | 0 | 0 | 112.3 | S87 D92 R96 | S87-S90 VanDerWaalsContact O-CB 3.23Å; S87-S90 WeakPolarHBondContact O-CB 3.48Å; S87-S90 PolarHBondContact O-N 2.98Å; S90-D92 VanDerWaalsContact C-N 3.3Å; S90-D92 PolarHBondContact O-N 3.07Å; S90-R96 WeakPolarHBondContact O-CD 3.49Å; S90-R96 WeakPolarHBondContact O-CG 3.25Å; S90-R96 PolarHBondContact O-NE 3.38Å | ||
| 91 | E | 81.1 | Confident | 86.5 | Confident | 185 Ų | 185 | 46.1 Ų | 46.1 | 86% | 0.864 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -66 | -33.7 | 176.9 | -60.3 | -166.7 | 150.1 | 0 | 0 | 112.1 | I93 R96 | E91-I93 PolarHBondContact O-N 3.19Å; E91-R96 PolarHBondContact O-NH2 2.89Å |
| 92 | D | 83.4 | Confident | 86.7 | Confident | 51 Ų | 51 | 46.1 Ų | 46.1 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | trans | -65.7 | 134.1 | 179.2 | 173.5 | 34.1 | 0 | 0 | 0 | 111.9 | S90 L94 C95 R96 | S90-D92 VanDerWaalsContact C-N 3.3Å; S90-D92 PolarHBondContact O-N 3.07Å; D92-L94 PolarHBondContact OD1-N 3.39Å; D92-L94 WeakPolarHBondContact OD2-CB 3.29Å; D92-L94 PolarHBondContact OD2-N 3.03Å; D92-C95 HydrophobicContact CB-CB 3.91Å; D92-C95 VanDerWaalsContact OD2-CB 3.3Å; D92-C95 WeakPolarHBondContact OD2-CB 3.49Å; D92-C95 PolarHBondContact OD2-N 2.78Å; D92-R96 WeakPolarHBondContact O-CG 3.34Å; D92-R96 PolarHBondContact O-N 3.08Å; D92-R96 PolarHBondContact O-NE 2.89Å; D92-R96 VanDerWaalsContact O-NE 3.15Å | ||
| 93 | I | 85.3 | Confident | 87 | Confident | 84 Ų | 84 | 44.5 Ų | 44.5 | 43% | 0.431 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -76.5 | -25.6 | 178.2 | -167.9 | 59.5 | 0 | 0 | 0 | 112.4 | E91 R97 | E91-I93 PolarHBondContact O-N 3.19Å; I93-R97 WeakPolarHBondContact O-CB 3.49Å; I93-R97 WeakPolarHBondContact O-CD 3.47Å; I93-R97 WeakPolarHBondContact O-CG 3.46Å; I93-R97 PolarHBondContact O-N 2.85Å |
| 94 | L | 85.4 | Confident | 87.1 | Confident | 91 Ų | 91 | 46.4 Ų | 46.4 | 48% | 0.476 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -76.3 | -48.9 | 176.9 | -58.5 | 177 | 0 | 0 | 0 | 110.6 | L46 D92 R96 R97 S98 | L46-L94 HydrophobicContact CD1-CB 4.16Å; L46-L94 HydrophobicContact CD2-CB 3.91Å; L46-L94 HydrophobicContact CD2-CD1 4.23Å; D92-L94 PolarHBondContact OD1-N 3.39Å; D92-L94 WeakPolarHBondContact OD2-CB 3.29Å; D92-L94 PolarHBondContact OD2-N 3.03Å; L94-R96 PolarHBondContact O-N 3.46Å; L94-R97 PolarHBondContact O-N 2.88Å; L94-R97 VanDerWaalsContact O-N 3.12Å; L94-S98 PolarHBondContact O-N 3.46Å |
| 95 | C | 86.5 | Confident | 87 | Confident | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -49.4 | -53.1 | 171.4 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | D92 R97 S98 A99 | D92-C95 HydrophobicContact CB-CB 3.91Å; D92-C95 VanDerWaalsContact OD2-CB 3.3Å; D92-C95 WeakPolarHBondContact OD2-CB 3.49Å; D92-C95 PolarHBondContact OD2-N 2.78Å; C95-R97 PolarHBondContact O-N 3.43Å; C95-S98 PolarHBondContact O-N 3.11Å; C95-A99 VanDerWaalsContact O-CB 3.27Å; C95-A99 WeakPolarHBondContact O-CB 3.12Å; C95-A99 PolarHBondContact O-N 3.33Å |
| 96 | R | 87.5 | Confident | 86.9 | Confident | 91 Ų | 91 | 46.6 Ų | 46.6 | 34% | 0.343 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61 | -37.6 | 177.7 | -74.3 | -174.3 | -77.3 | 177 | -13.3 | 114.2 | L88 S90 E91 D92 L94 T100 | L88-R96 WeakPolarHBondContact O-CD 3.33Å; L88-R96 VanDerWaalsContact O-CG 3.25Å; L88-R96 WeakPolarHBondContact O-CG 3.33Å; S90-R96 WeakPolarHBondContact O-CD 3.49Å; S90-R96 WeakPolarHBondContact O-CG 3.25Å; S90-R96 PolarHBondContact O-NE 3.38Å; E91-R96 PolarHBondContact O-NH2 2.89Å; D92-R96 WeakPolarHBondContact O-CG 3.34Å; D92-R96 PolarHBondContact O-N 3.08Å; D92-R96 PolarHBondContact O-NE 2.89Å; D92-R96 VanDerWaalsContact O-NE 3.15Å; L94-R96 PolarHBondContact O-N 3.46Å; R96-T100 WeakPolarHBondContact O-CB 3.27Å; R96-T100 PolarHBondContact O-N 3.44Å; R96-T100 PolarHBondContact O-OG1 2.96Å |
| 97 | R | 88.9 | Confident | 86.8 | Confident | 163 Ų | 163 | 42 Ų | 42 | 62% | 0.615 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -67.7 | -49.1 | 177.7 | -79.1 | 171.2 | 178.3 | 178.9 | 1 | 111.8 | I93 L94 C95 A99 T100 Q101 | I93-R97 WeakPolarHBondContact O-CB 3.49Å; I93-R97 WeakPolarHBondContact O-CD 3.47Å; I93-R97 WeakPolarHBondContact O-CG 3.46Å; I93-R97 PolarHBondContact O-N 2.85Å; L94-R97 PolarHBondContact O-N 2.88Å; L94-R97 VanDerWaalsContact O-N 3.12Å; C95-R97 PolarHBondContact O-N 3.43Å; R97-A99 VanDerWaalsContact C-N 3.34Å; R97-A99 PolarHBondContact O-N 2.82Å; R97-T100 WeakPolarHBondContact O-CB 3.28Å; R97-T100 PolarHBondContact O-N 3.04Å; R97-Q101 PolarHBondContact O-N 3.12Å |
| 98 | S | 88.7 | Confident | 86.5 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.3 | -34.2 | 177.8 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | E53 L94 C95 Q101 N102 | E53-S98 WeakPolarHBondContact OE2-CB 3.01Å; E53-S98 PolarHBondContact OE2-OG 2.78Å; L94-S98 PolarHBondContact O-N 3.46Å; C95-S98 PolarHBondContact O-N 3.11Å; S98-Q101 PolarHBondContact O-N 3.27Å; S98-N102 VanDerWaalsContact O-CB 3.28Å; S98-N102 WeakPolarHBondContact O-CB 3.05Å; S98-N102 PolarHBondContact O-N 3.5Å; S98-N102 PolarHBondContact O-ND2 2.85Å; S98-N102 PolarHBondContact OG-ND2 3.07Å; S98-N102 VanDerWaalsContact OG-ND2 3.12Å |
| 99 | A | 90.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.1 | -42.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | L49 L84 L88 C95 R97 Q101 L103 | L49-A99 HydrophobicContact CD1-CB 4.41Å; L49-A99 HydrophobicContact CD2-CB 4.45Å; L84-A99 HydrophobicContact CD2-CB 4.23Å; L88-A99 HydrophobicContact CD2-CB 3.99Å; L88-A99 HydrophobicContact CG-CB 4.35Å; C95-A99 VanDerWaalsContact O-CB 3.27Å; C95-A99 WeakPolarHBondContact O-CB 3.12Å; C95-A99 PolarHBondContact O-N 3.33Å; R97-A99 VanDerWaalsContact C-N 3.34Å; R97-A99 PolarHBondContact O-N 2.82Å; A99-Q101 PolarHBondContact O-N 2.89Å; A99-L103 WeakPolarHBondContact O-CB 3.32Å; A99-L103 PolarHBondContact O-N 2.82Å |
| 100 | T | 90.4 | Very high | 85.7 | Confident | 19 Ų | 19 | 43.1 Ų | 43.1 | 12% | 0.117 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60 | -45.8 | 174.3 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | L88 R96 R97 L103 R104 A146 Q149 I150 | L88-T100 WeakPolarHBondContact CD2-OG1 3.47Å; R96-T100 WeakPolarHBondContact O-CB 3.27Å; R96-T100 PolarHBondContact O-N 3.44Å; R96-T100 PolarHBondContact O-OG1 2.96Å; R97-T100 WeakPolarHBondContact O-CB 3.28Å; R97-T100 PolarHBondContact O-N 3.04Å; T100-L103 PolarHBondContact O-N 3.46Å; T100-R104 PolarHBondContact O-N 2.67Å; T100-A146 HydrophobicContact CG2-CB 4.2Å; T100-Q149 HydrophobicContact CG2-CB 4.04Å; T100-I150 HydrophobicContact CG2-CG1 4.01Å |
| 101 | Q | 89.1 | Confident | 85.3 | Confident | 55 Ų | 55 | 41.9 Ų | 41.9 | 26% | 0.257 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -72 | -41 | -178.7 | -179.1 | 61.1 | 8.8 | 0 | 0 | 112.2 | E53 R97 S98 A99 L103 R104 L105 | E53-Q101 HydrophobicContact CG-CG 4.09Å; E53-Q101 WeakPolarHBondContact OE1-CG 3.24Å; R97-Q101 PolarHBondContact O-N 3.12Å; S98-Q101 PolarHBondContact O-N 3.27Å; A99-Q101 PolarHBondContact O-N 2.89Å; Q101-L103 VanDerWaalsContact C-N 3.32Å; Q101-L103 PolarHBondContact O-N 3.15Å; Q101-R104 PolarHBondContact O-N 2.92Å; Q101-L105 HydrophobicContact CG-CD1 4.03Å; Q101-L105 HydrophobicContact CG-CG 4.48Å; Q101-L105 WeakPolarHBondContact O-CB 3.2Å; Q101-L105 WeakPolarHBondContact O-CG 3.41Å; Q101-L105 PolarHBondContact O-N 3.43Å |
| 102 | N | 90.5 | Very high | 84.7 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.2 | -44.4 | 171.6 | -87.6 | -84 | 0 | 0 | 0 | 111.4 | L49 T52 E53 L56 L84 S98 L105 I106 | L49-N102 PolarHBondContact O-ND2 2.73Å; T52-N102 VanDerWaalsContact CB-OD1 3.24Å; T52-N102 WeakPolarHBondContact CB-OD1 3.49Å; T52-N102 PolarHBondContact OG1-OD1 3.01Å; E53-N102 WeakPolarHBondContact CA-OD1 3.31Å; E53-N102 PolarHBondContact N-OD1 3.38Å; L56-N102 HydrophobicContact CD1-CB 4.46Å; L56-N102 WeakPolarHBondContact CD1-OD1 3.43Å; L84-N102 HydrophobicContact CD1-CB 4.21Å; L84-N102 HydrophobicContact CD2-CB 3.73Å; S98-N102 VanDerWaalsContact O-CB 3.28Å; S98-N102 WeakPolarHBondContact O-CB 3.05Å; S98-N102 PolarHBondContact O-N 3.5Å; S98-N102 PolarHBondContact O-ND2 2.85Å; S98-N102 PolarHBondContact OG-ND2 3.07Å; S98-N102 VanDerWaalsContact OG-ND2 3.12Å; N102-L105 PolarHBondContact O-N 3.41Å; N102-I106 WeakPolarHBondContact O-CG1 3.45Å; N102-I106 PolarHBondContact O-N 3.12Å |
| 103 | L | 90.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.4 | -39.6 | 179.5 | -175.7 | 55.3 | 0 | 0 | 0 | 112.4 | I81 L88 A99 T100 Q101 I106 L107 L126 L143 I150 | I81-L103 HydrophobicContact CG1-CD1 4.36Å; L88-L103 HydrophobicContact CD1-CD2 4.1Å; A99-L103 WeakPolarHBondContact O-CB 3.32Å; A99-L103 PolarHBondContact O-N 2.82Å; T100-L103 PolarHBondContact O-N 3.46Å; Q101-L103 VanDerWaalsContact C-N 3.32Å; Q101-L103 PolarHBondContact O-N 3.15Å; L103-I106 PolarHBondContact O-N 3.22Å; L103-L107 PolarHBondContact O-N 3.27Å; L103-L107 VanDerWaalsContact O-N 3.08Å; L103-L126 HydrophobicContact CD1-CD2 4.16Å; L103-L126 HydrophobicContact CD2-CD2 3.82Å; L103-L143 HydrophobicContact CD2-CD1 4.41Å; L103-I150 HydrophobicContact CD2-CD1 3.61Å; L103-I150 HydrophobicContact CD2-CG1 4.32Å; L103-I150 HydrophobicContact CG-CD1 4.24Å; L103-I150 HydrophobicContact CG-CG1 4.46Å; L103-I150 HydrophobicContact CG-CG2 4.15Å |
| 104 | R | 88.7 | Confident | 82.7 | Confident | 45 Ų | 45 | 35 Ų | 35 | 17% | 0.17 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 169.8 | -176.1 | 178.9 | -171.3 | -152.9 | -3 | 112 | T100 Q101 L107 R108 Q149 I150 T152 D154 L155 | T100-R104 PolarHBondContact O-N 2.67Å; Q101-R104 PolarHBondContact O-N 2.92Å; R104-L107 PolarHBondContact O-N 3.4Å; R104-R108 PolarHBondContact O-N 2.96Å; R104-R108 VanDerWaalsContact O-N 3.09Å; R104-Q149 WeakPolarHBondContact CD-O 3.2Å; R104-I150 WeakPolarHBondContact CG-O 3.45Å; R104-T152 PolarHBondContact NE-OG1 3.24Å; R104-T152 VanDerWaalsContact NE-OG1 3.13Å; R104-T152 PolarHBondContact NH2-OG1 3.27Å; R104-D154 IonicContact NH2-OD2 3.77Å; R104-D154 PolarHBondContact NH2-OD2 3.42Å; R104-L155 HydrophobicContact CG-CD1 4.34Å |
| 105 | L | 86.1 | Confident | 81.5 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70 | -36 | -179.8 | -68.7 | 167.8 | 0 | 0 | 0 | 112.3 | E53 L56 N57 L60 Q101 N102 R108 V109 | E53-L105 HydrophobicContact CG-CD1 3.7Å; L56-L105 HydrophobicContact CB-CB 3.89Å; L56-L105 HydrophobicContact CB-CD1 4.22Å; L56-L105 HydrophobicContact CD1-CB 4.01Å; L56-L105 HydrophobicContact CG-CB 4.49Å; N57-L105 VanDerWaalsContact OD1-CD2 3.3Å; N57-L105 WeakPolarHBondContact OD1-CD2 3.46Å; L60-L105 HydrophobicContact CD1-CB 4.5Å; L60-L105 HydrophobicContact CD1-CD2 3.63Å; Q101-L105 HydrophobicContact CG-CD1 4.03Å; Q101-L105 HydrophobicContact CG-CG 4.48Å; Q101-L105 WeakPolarHBondContact O-CB 3.2Å; Q101-L105 WeakPolarHBondContact O-CG 3.41Å; Q101-L105 PolarHBondContact O-N 3.43Å; N102-L105 PolarHBondContact O-N 3.41Å; L105-R108 WeakPolarHBondContact O-CB 3.44Å; L105-R108 PolarHBondContact O-N 2.65Å; L105-V109 WeakPolarHBondContact O-CG2 3.35Å; L105-V109 PolarHBondContact O-N 3.36Å |
| 106 | I | 84.7 | Confident | 80.2 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 172.6 | -74.4 | 161.2 | 0 | 0 | 0 | 110.4 | L56 L80 L84 N102 L103 R108 V109 V110 | L56-I106 HydrophobicContact CD1-CD1 4.3Å; L56-I106 HydrophobicContact CD1-CG1 3.77Å; L56-I106 HydrophobicContact CD2-CG1 3.91Å; L80-I106 HydrophobicContact CD2-CD1 3.65Å; L80-I106 HydrophobicContact CD2-CG1 4.39Å; L80-I106 HydrophobicContact CG-CD1 3.84Å; L84-I106 HydrophobicContact CD1-CD1 3.27Å; N102-I106 WeakPolarHBondContact O-CG1 3.45Å; N102-I106 PolarHBondContact O-N 3.12Å; L103-I106 PolarHBondContact O-N 3.22Å; I106-R108 PolarHBondContact O-N 2.9Å; I106-V109 CarbonylContact O-C 3.34Å; I106-V109 PolarHBondContact O-N 3.4Å; I106-V110 HydrophobicContact CG2-CG2 4.15Å; I106-V110 VanDerWaalsContact O-CG2 3.28Å; I106-V110 WeakPolarHBondContact O-CG2 3.49Å; I106-V110 PolarHBondContact O-N 3.22Å |
| 107 | L | 83.2 | Confident | 78.9 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -32.4 | 176.7 | -69 | 172.1 | 0 | 0 | 0 | 112.3 | L103 R104 L111 L119 C122 L126 I150 L151 L155 | L103-L107 PolarHBondContact O-N 3.27Å; L103-L107 VanDerWaalsContact O-N 3.08Å; R104-L107 PolarHBondContact O-N 3.4Å; L107-L111 WeakPolarHBondContact O-CB 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.27Å; L107-L111 PolarHBondContact O-N 3.43Å; L107-L119 HydrophobicContact CD2-CD1 4.37Å; L107-C122 HydrophobicContact CD2-CB 4.12Å; L107-L126 HydrophobicContact CD1-CD1 4.29Å; L107-I150 HydrophobicContact CD1-CG2 3.42Å; L107-I150 VanDerWaalsContact CD1-CG2 3.42Å; L107-L151 HydrophobicContact CD1-CD2 3.84Å; L107-L155 HydrophobicContact CB-CD2 4.25Å |
| 108 | R | 81.5 | Confident | 77.9 | Confident | 62 Ų | 62 | 37.6 Ų | 37.6 | 23% | 0.234 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 169.2 | -74.9 | -171.5 | 157.2 | 153 | -0.5 | 113 | L60 R104 L105 I106 V110 L111 F112 D154 L155 | L60-R108 HydrophobicContact CD1-CB 3.89Å; L60-R108 HydrophobicContact CD2-CB 4.04Å; R104-R108 PolarHBondContact O-N 2.96Å; R104-R108 VanDerWaalsContact O-N 3.09Å; L105-R108 WeakPolarHBondContact O-CB 3.44Å; L105-R108 PolarHBondContact O-N 2.65Å; I106-R108 PolarHBondContact O-N 2.9Å; R108-V110 VanDerWaalsContact C-N 3.34Å; R108-L111 PolarHBondContact O-N 2.92Å; R108-F112 WeakPolarHBondContact O-CB 3.39Å; R108-F112 PolarHBondContact O-N 2.89Å; R108-D154 IonicContact CZ-OD2 3.43Å; R108-D154 PolarHBondContact NH2-O 3.41Å; R108-D154 IonicContact NH2-OD2 3.58Å; R108-D154 PolarHBondContact NH2-OD2 3.17Å; R108-L155 HydrophobicContact CG-CD1 3.44Å; R108-L155 VanDerWaalsContact CG-CD1 3.44Å; R108-L155 HydrophobicContact CG-CG 4.25Å |
| 109 | V | 77.9 | Confident | 77.1 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.6 | -36.7 | 177.4 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | L56 L60 L105 I106 C113 | L56-V109 HydrophobicContact CD2-CG2 4.07Å; L60-V109 HydrophobicContact CD1-CG2 4.2Å; L60-V109 HydrophobicContact CD2-CG2 3.71Å; L60-V109 HydrophobicContact CG-CG2 3.74Å; L105-V109 WeakPolarHBondContact O-CG2 3.35Å; L105-V109 PolarHBondContact O-N 3.36Å; I106-V109 CarbonylContact O-C 3.34Å; I106-V109 PolarHBondContact O-N 3.4Å; V109-C113 VanDerWaalsContact O-CB 3.29Å; V109-C113 WeakPolarHBondContact O-CB 3.11Å; V109-C113 PolarHBondContact O-N 3.49Å |
| 110 | V | 76.5 | Confident | 76.4 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.4 | -50.1 | 175.3 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | I77 I106 R108 L114 L119 | I77-V110 HydrophobicContact CD1-CG2 3.51Å; I106-V110 HydrophobicContact CG2-CG2 4.15Å; I106-V110 VanDerWaalsContact O-CG2 3.28Å; I106-V110 WeakPolarHBondContact O-CG2 3.49Å; I106-V110 PolarHBondContact O-N 3.22Å; R108-V110 VanDerWaalsContact C-N 3.34Å; V110-L114 HydrophobicContact CG2-CD1 4.29Å; V110-L114 CarbonylContact O-C 3.56Å; V110-L114 WeakPolarHBondContact O-CA 3.34Å; V110-L114 VanDerWaalsContact O-CB 3.24Å; V110-L114 WeakPolarHBondContact O-CB 3.24Å; V110-L114 PolarHBondContact O-N 2.87Å; V110-L114 VanDerWaalsContact O-O 3.08Å; V110-L119 HydrophobicContact CG1-CB 4.39Å; V110-L119 HydrophobicContact CG1-CD1 4.37Å |
| 111 | L | 75.6 | Confident | 75.7 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.1 | -54.1 | 176 | -77.8 | 160.8 | 0 | 0 | 0 | 111.4 | L107 R108 C113 L119 L155 F156 Y159 I164 | L107-L111 WeakPolarHBondContact O-CB 3.27Å; L107-L111 WeakPolarHBondContact O-CG 3.27Å; L107-L111 PolarHBondContact O-N 3.43Å; R108-L111 PolarHBondContact O-N 2.92Å; L111-C113 PolarHBondContact O-N 3.49Å; L111-L119 HydrophobicContact CD2-CD1 4.39Å; L111-L119 HydrophobicContact CD2-CD2 3.93Å; L111-L119 HydrophobicContact CG-CD1 4.37Å; L111-L155 HydrophobicContact CD1-CD2 3.53Å; L111-L155 HydrophobicContact CD1-CG 3.78Å; L111-F156 HydrophobicContact CD1-CD1 4.25Å; L111-F156 HydrophobicContact CD1-CE1 4.25Å; L111-Y159 HydrophobicContact CB-CE2 4.04Å; L111-Y159 HydrophobicContact CD2-CD2 4.39Å; L111-Y159 HydrophobicContact CD2-CE2 4.18Å; L111-Y159 PolarHBondContact O-OH 2.84Å; L111-I164 HydrophobicContact CD2-CD1 3.73Å |
| 112 | F | 68.9 | Low | 75.2 | Confident | 113 Ų | 113 | 39 Ų | 39 | 50% | 0.496 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -72.4 | -27.1 | -168.8 | -164.1 | -99.3 | 0 | 0 | 0 | 114.1 | R108 Y159 | R108-F112 WeakPolarHBondContact O-CB 3.39Å; R108-F112 PolarHBondContact O-N 2.89Å; F112-Y159 WeakPolarHBondContact CA-OH 3.36Å; F112-Y159 PolarHBondContact N-OH 3.43Å |
| 113 | C | 64.8 | Low | 74.9 | Confident | 34 Ų | 34 | 39 Ų | 39 | 23% | 0.23 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -122.6 | -7.7 | -172.7 | -50.5 | 0 | 0 | 0 | 0 | 114.5 | I69 V109 L111 | I69-C113 HydrophobicContact CD1-CB 3.31Å; I69-C113 HydrophobicContact CG1-CB 3.84Å; V109-C113 VanDerWaalsContact O-CB 3.29Å; V109-C113 WeakPolarHBondContact O-CB 3.11Å; V109-C113 PolarHBondContact O-N 3.49Å; L111-C113 PolarHBondContact O-N 3.49Å |
| 114 | L | 60.3 | Low | 74.5 | Confident | 28 Ų | 28 | 42.7 Ų | 42.7 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -126.2 | 152.6 | -179.4 | -62.8 | 172.2 | 0 | 0 | 0 | 112.1 | I69 V110 R118 | I69-L114 HydrophobicContact CD1-CD1 4.22Å; I69-L114 HydrophobicContact CD1-CD2 3.42Å; I69-L114 VanDerWaalsContact CD1-CD2 3.42Å; I69-L114 HydrophobicContact CD1-CG 3.56Å; V110-L114 HydrophobicContact CG2-CD1 4.29Å; V110-L114 CarbonylContact O-C 3.56Å; V110-L114 WeakPolarHBondContact O-CA 3.34Å; V110-L114 VanDerWaalsContact O-CB 3.24Å; V110-L114 WeakPolarHBondContact O-CB 3.24Å; V110-L114 PolarHBondContact O-N 2.87Å; V110-L114 VanDerWaalsContact O-O 3.08Å; L114-R118 HydrophobicContact CB-CB 4.19Å; L114-R118 HydrophobicContact CD1-CB 4.4Å; L114-R118 VanDerWaalsContact CD2-NH1 3.28Å |
| 115 | E | 60.3 | Low | 74.2 | Confident | 143 Ų | 143 | 40.5 Ų | 40.5 | 67% | 0.668 | 21% | 0.207 | S | C | * | . | trans | -69.6 | 149.4 | 178.2 | -58.1 | 170.4 | 141.2 | 0 | 0 | 111.7 | P117 R118 | E115-P117 VanDerWaalsContact C-CD 3.43Å; E115-P117 HydrophobicContact CB-CG 4.18Å; E115-P117 VanDerWaalsContact O-N 3.13Å; E115-R118 PolarHBondContact O-N 2.92Å | ||
| 116 | L | 59.4 | Low | 74.2 | Confident | 67 Ų | 67 | 40.4 Ų | 40.4 | 35% | 0.351 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -40.3 | -44.9 | 178.5 | -73.9 | 157.7 | 0 | 0 | 0 | 116.1 | R118 L119 D120 | L116-R118 PolarHBondContact O-N 3.21Å; L116-L119 WeakPolarHBondContact O-CA 3.46Å; L116-L119 VanDerWaalsContact O-CB 3.23Å; L116-L119 WeakPolarHBondContact O-CB 3.32Å; L116-L119 PolarHBondContact O-N 3.29Å; L116-D120 PolarHBondContact O-N 3.02Å |
| 117 | P | 60.9 | Low | 74.2 | Confident | 87 Ų | 87 | 41.3 Ų | 41.3 | 57% | 0.565 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -58.3 | -17.4 | 176.2 | 20.2 | -34.5 | 0 | 0 | 0 | 115.4 | E115 | E115-P117 VanDerWaalsContact C-CD 3.43Å; E115-P117 HydrophobicContact CB-CG 4.18Å; E115-P117 VanDerWaalsContact O-N 3.13Å |
| 118 | R | 68 | Low | 74.3 | Confident | 104 Ų | 104 | 45.8 Ų | 45.8 | 39% | 0.392 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -86.7 | -18.9 | 171.2 | -59.4 | -163.3 | -167.8 | -178.5 | 7.9 | 113.4 | S74 L114 E115 L116 C122 | S74-R118 PolarHBondContact OG-NH1 3.42Å; L114-R118 HydrophobicContact CB-CB 4.19Å; L114-R118 HydrophobicContact CD1-CB 4.4Å; L114-R118 VanDerWaalsContact CD2-NH1 3.28Å; E115-R118 PolarHBondContact O-N 2.92Å; L116-R118 PolarHBondContact O-N 3.21Å; R118-C122 PolarHBondContact O-N 3.39Å; R118-C122 PolarHBondContact O-SG 2.87Å |
| 119 | L | 72.7 | Confident | 74.2 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -46.2 | 167.3 | -177 | 65.1 | 0 | 0 | 0 | 109.7 | L107 V110 L111 L116 A121 C122 I123 H167 F168 | L107-L119 HydrophobicContact CD2-CD1 4.37Å; V110-L119 HydrophobicContact CG1-CB 4.39Å; V110-L119 HydrophobicContact CG1-CD1 4.37Å; L111-L119 HydrophobicContact CD2-CD1 4.39Å; L111-L119 HydrophobicContact CD2-CD2 3.93Å; L111-L119 HydrophobicContact CG-CD1 4.37Å; L116-L119 WeakPolarHBondContact O-CA 3.46Å; L116-L119 VanDerWaalsContact O-CB 3.23Å; L116-L119 WeakPolarHBondContact O-CB 3.32Å; L116-L119 PolarHBondContact O-N 3.29Å; L119-A121 VanDerWaalsContact C-N 3.34Å; L119-A121 PolarHBondContact O-N 2.96Å; L119-C122 CarbonylContact O-C 3.57Å; L119-C122 WeakPolarHBondContact O-CA 3.42Å; L119-C122 WeakPolarHBondContact O-CB 3.15Å; L119-C122 PolarHBondContact O-N 3.45Å; L119-I123 HydrophobicContact CD1-CD1 4.41Å; L119-I123 HydrophobicContact CD1-CG1 4.32Å; L119-I123 HydrophobicContact CG-CG1 4.25Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 2.84Å; L119-H167 HydrophobicContact CD2-CB 4.28Å; L119-F168 HydrophobicContact CD2-CE2 4.45Å |
| 120 | D | 75.2 | Confident | 74.4 | Confident | 66 Ų | 66 | 45.9 Ų | 45.9 | 35% | 0.353 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -53.6 | -48.7 | 175 | -79.4 | -45.2 | 0 | 0 | 0 | 112.1 | L116 C122 I123 D124 H167 | L116-D120 PolarHBondContact O-N 3.02Å; D120-C122 PolarHBondContact O-N 3.14Å; D120-I123 PolarHBondContact O-N 2.86Å; D120-I123 VanDerWaalsContact O-N 3.13Å; D120-D124 WeakPolarHBondContact O-CB 3.24Å; D120-D124 PolarHBondContact O-N 3.06Å; D120-H167 IonicContact OD1-CE1 2.87Å; D120-H167 IonicContact OD1-CG 3.36Å; D120-H167 IonicContact OD1-ND1 2.73Å; D120-H167 PolarHBondContact OD1-ND1 2.97Å; D120-H167 IonicContact OD2-CE1 3.14Å; D120-H167 PolarHBondContact OD2-CE1 3.05Å; D120-H167 IonicContact OD2-ND1 3.53Å; D120-H167 PolarHBondContact OD2-ND1 3.03Å |
| 121 | A | 76.1 | Confident | 74.6 | Confident | 39 Ų | 39 | 45.8 Ų | 45.8 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59 | -33.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L119 S125 | L119-A121 VanDerWaalsContact C-N 3.34Å; L119-A121 PolarHBondContact O-N 2.96Å; A121-S125 WeakPolarHBondContact O-CB 3.23Å; A121-S125 PolarHBondContact O-N 3.24Å |
| 122 | C | 78.8 | Confident | 74.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -75.2 | -38.8 | 175.1 | -63.8 | 0 | 0 | 0 | 0 | 112.7 | I77 I81 L107 R118 L119 D120 L126 | I77-C122 WeakPolarHBondContact CD1-SG 3.34Å; I81-C122 HydrophobicContact CD1-CB 3.72Å; L107-C122 HydrophobicContact CD2-CB 4.12Å; R118-C122 PolarHBondContact O-N 3.39Å; R118-C122 PolarHBondContact O-SG 2.87Å; L119-C122 CarbonylContact O-C 3.57Å; L119-C122 WeakPolarHBondContact O-CA 3.42Å; L119-C122 WeakPolarHBondContact O-CB 3.15Å; L119-C122 PolarHBondContact O-N 3.45Å; D120-C122 PolarHBondContact O-N 3.14Å; C122-L126 WeakPolarHBondContact O-CB 3.47Å; C122-L126 WeakPolarHBondContact O-CG 3.25Å; C122-L126 PolarHBondContact O-N 3.11Å |
| 123 | I | 82.8 | Confident | 74.6 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70 | -45.5 | 177.6 | -62.8 | -50.4 | 0 | 0 | 0 | 110.8 | L119 D120 L126 V127 F168 I171 | L119-I123 HydrophobicContact CD1-CD1 4.41Å; L119-I123 HydrophobicContact CD1-CG1 4.32Å; L119-I123 HydrophobicContact CG-CG1 4.25Å; L119-I123 WeakPolarHBondContact O-CG1 3.49Å; L119-I123 PolarHBondContact O-N 2.84Å; D120-I123 PolarHBondContact O-N 2.86Å; D120-I123 VanDerWaalsContact O-N 3.13Å; I123-L126 HydrophobicContact CD1-CD1 4.37Å; I123-L126 WeakPolarHBondContact O-CB 3.34Å; I123-L126 PolarHBondContact O-N 3.1Å; I123-V127 WeakPolarHBondContact O-CG2 3.47Å; I123-V127 PolarHBondContact O-N 2.87Å; I123-F168 HydrophobicContact CD1-CD1 4.15Å; I123-F168 HydrophobicContact CD1-CE1 3.44Å; I123-F168 VanDerWaalsContact CD1-CE1 3.44Å; I123-F168 HydrophobicContact CD1-CE2 4.48Å; I123-F168 HydrophobicContact CD1-CZ 3.64Å; I123-F168 HydrophobicContact CG1-CE1 4.35Å; I123-F168 HydrophobicContact CG1-CZ 4.41Å; I123-I171 HydrophobicContact CD1-CD1 4.12Å; I123-I171 HydrophobicContact CG2-CD1 3.75Å; I123-I171 HydrophobicContact CG2-CG1 3.97Å |
| 124 | D | 83.2 | Confident | 74.9 | Confident | 77 Ų | 77 | 48.2 Ų | 48.2 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 173.7 | -175.1 | 45.1 | 0 | 0 | 0 | 110.6 | D120 L126 V127 R128 | D120-D124 WeakPolarHBondContact O-CB 3.24Å; D120-D124 PolarHBondContact O-N 3.06Å; D124-L126 VanDerWaalsContact C-N 3.29Å; D124-L126 PolarHBondContact O-N 3.33Å; D124-V127 CarbonylContact O-C 3.47Å; D124-V127 PolarHBondContact O-N 3.2Å; D124-V127 VanDerWaalsContact O-N 3.12Å; D124-R128 WeakPolarHBondContact O-CB 3.37Å; D124-R128 PolarHBondContact O-N 3.24Å; D124-R128 IonicContact OD2-CZ 3.57Å; D124-R128 VanDerWaalsContact OD2-CZ 3.26Å; D124-R128 IonicContact OD2-NE 2.78Å; D124-R128 PolarHBondContact OD2-NE 2.91Å; D124-R128 VanDerWaalsContact OD2-NE 3.09Å; D124-R128 IonicContact OD2-NH2 2.68Å; D124-R128 PolarHBondContact OD2-NH2 2.81Å |
| 125 | S | 82 | Confident | 75.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.9 | -40.9 | 172.8 | -171.9 | 0 | 0 | 0 | 0 | 112.6 | A121 H129 | A121-S125 WeakPolarHBondContact O-CB 3.23Å; A121-S125 PolarHBondContact O-N 3.24Å; S125-H129 WeakPolarHBondContact O-CB 3.35Å; S125-H129 PolarHBondContact O-CD2 3.47Å; S125-H129 VanDerWaalsContact O-CD2 3.26Å; S125-H129 PolarHBondContact O-N 2.86Å |
| 126 | L | 84.7 | Confident | 76.7 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 174.4 | -78.6 | 169 | 0 | 0 | 0 | 113.3 | I81 V85 L103 L107 C122 I123 D124 G130 L143 | I81-L126 HydrophobicContact CG2-CD2 3.83Å; I81-L126 HydrophobicContact CG2-CG 3.94Å; V85-L126 HydrophobicContact CG2-CD2 3.79Å; L103-L126 HydrophobicContact CD1-CD2 4.16Å; L103-L126 HydrophobicContact CD2-CD2 3.82Å; L107-L126 HydrophobicContact CD1-CD1 4.29Å; C122-L126 WeakPolarHBondContact O-CB 3.47Å; C122-L126 WeakPolarHBondContact O-CG 3.25Å; C122-L126 PolarHBondContact O-N 3.11Å; I123-L126 HydrophobicContact CD1-CD1 4.37Å; I123-L126 WeakPolarHBondContact O-CB 3.34Å; I123-L126 PolarHBondContact O-N 3.1Å; D124-L126 VanDerWaalsContact C-N 3.29Å; D124-L126 PolarHBondContact O-N 3.33Å; L126-G130 VanDerWaalsContact O-CA 3.24Å; L126-G130 WeakPolarHBondContact O-CA 3.25Å; L126-G130 PolarHBondContact O-N 3.23Å; L126-L143 HydrophobicContact CD2-CD1 4.24Å; L126-L143 HydrophobicContact CD2-CD2 4.34Å |
| 127 | V | 85.9 | Confident | 77.6 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67 | -54.8 | 174.8 | 174.1 | 0 | 0 | 0 | 0 | 109.8 | I123 D124 H129 G130 L131 S132 P170 I171 | I123-V127 WeakPolarHBondContact O-CG2 3.47Å; I123-V127 PolarHBondContact O-N 2.87Å; D124-V127 CarbonylContact O-C 3.47Å; D124-V127 PolarHBondContact O-N 3.2Å; D124-V127 VanDerWaalsContact O-N 3.12Å; V127-H129 PolarHBondContact O-N 3.05Å; V127-G130 PolarHBondContact O-N 3.21Å; V127-L131 HydrophobicContact CG2-CD1 4.33Å; V127-L131 CarbonylContact O-C 3.58Å; V127-L131 PolarHBondContact O-N 2.85Å; V127-S132 WeakPolarHBondContact O-CB 3.45Å; V127-S132 PolarHBondContact O-N 3.41Å; V127-P170 HydrophobicContact CG2-CB 4.34Å; V127-I171 HydrophobicContact CG2-CG1 3.82Å |
| 128 | R | 84.1 | Confident | 78.6 | Confident | 96 Ų | 96 | 47 Ų | 47 | 36% | 0.362 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.7 | -40 | -174.4 | -156.2 | -165.9 | -47.6 | 143.1 | -3.3 | 113.4 | E78 D124 S132 | E78-R128 IonicContact OE1-CZ 3.2Å; E78-R128 IonicContact OE1-NH1 2.66Å; E78-R128 PolarHBondContact OE1-NH1 2.78Å; E78-R128 IonicContact OE1-NH2 2.71Å; E78-R128 PolarHBondContact OE1-NH2 2.71Å; E78-R128 IonicContact OE2-NH1 2.73Å; D124-R128 WeakPolarHBondContact O-CB 3.37Å; D124-R128 PolarHBondContact O-N 3.24Å; D124-R128 IonicContact OD2-CZ 3.57Å; D124-R128 VanDerWaalsContact OD2-CZ 3.26Å; D124-R128 IonicContact OD2-NE 2.78Å; D124-R128 PolarHBondContact OD2-NE 2.91Å; D124-R128 VanDerWaalsContact OD2-NE 3.09Å; D124-R128 IonicContact OD2-NH2 2.68Å; D124-R128 PolarHBondContact OD2-NH2 2.81Å; R128-S132 VanDerWaalsContact O-CB 3.23Å; R128-S132 WeakPolarHBondContact O-CB 3.1Å; R128-S132 PolarHBondContact O-OG 3.37Å |
| 129 | H | 81.3 | Confident | 79.4 | Confident | 67 Ų | 67 | 42.7 Ų | 42.7 | 31% | 0.31 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -95.2 | -25.4 | 178.1 | -65.8 | -80 | 0 | 0 | 0 | 114.2 | S82 S125 V127 S135 | S82-H129 PolarHBondContact OG-ND1 3.41Å; S125-H129 WeakPolarHBondContact O-CB 3.35Å; S125-H129 PolarHBondContact O-CD2 3.47Å; S125-H129 VanDerWaalsContact O-CD2 3.26Å; S125-H129 PolarHBondContact O-N 2.86Å; V127-H129 PolarHBondContact O-N 3.05Å; H129-S135 WeakPolarHBondContact O-CB 3.15Å |
| 130 | G | 80.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -119.2 | -21 | -165.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | L126 V127 R140 | L126-G130 VanDerWaalsContact O-CA 3.24Å; L126-G130 WeakPolarHBondContact O-CA 3.25Å; L126-G130 PolarHBondContact O-N 3.23Å; V127-G130 PolarHBondContact O-N 3.21Å; G130-R140 WeakPolarHBondContact O-CA 3.31Å; G130-R140 WeakPolarHBondContact O-CG 3.35Å |
| 131 | L | 80.3 | Confident | 80.6 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | -16.4 | 179 | -55.5 | 177 | 0 | 0 | 0 | 113.2 | V127 L143 C144 L147 I171 S174 C178 | V127-L131 HydrophobicContact CG2-CD1 4.33Å; V127-L131 CarbonylContact O-C 3.58Å; V127-L131 PolarHBondContact O-N 2.85Å; L131-L143 HydrophobicContact CD2-CD2 4.06Å; L131-L143 HydrophobicContact CD2-CG 4.4Å; L131-L143 HydrophobicContact CG-CD2 4.09Å; L131-C144 WeakPolarHBondContact CD2-SG 3.23Å; L131-L147 HydrophobicContact CD1-CD1 4.47Å; L131-I171 HydrophobicContact CD1-CG1 4.31Å; L131-I171 HydrophobicContact CD1-CG2 4.35Å; L131-S174 WeakPolarHBondContact CB-OG 3.32Å; L131-C178 PolarHBondContact O-SG 3.05Å |
| 132 | S | 77.5 | Confident | 81 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -56.5 | 154.6 | -177.4 | 64.8 | 0 | 0 | 0 | 0 | 114.2 | V127 R128 S134 S135 R140 | V127-S132 WeakPolarHBondContact O-CB 3.45Å; V127-S132 PolarHBondContact O-N 3.41Å; R128-S132 VanDerWaalsContact O-CB 3.23Å; R128-S132 WeakPolarHBondContact O-CB 3.1Å; R128-S132 PolarHBondContact O-OG 3.37Å; S132-S134 PolarHBondContact O-N 2.78Å; S132-S134 VanDerWaalsContact O-N 3.09Å; S132-S134 PolarHBondContact OG-OG 3.26Å; S132-S135 PolarHBondContact O-N 3.36Å; S132-S135 VanDerWaalsContact O-N 3.09Å; S132-S135 PolarHBondContact O-OG 3.3Å; S132-S135 PolarHBondContact OG-N 3.46Å; S132-R140 PolarHBondContact O-NE 2.99Å; S132-R140 PolarHBondContact O-NH2 2.76Å |
| 133 | A | 67.5 | Low | 81.5 | Confident | 80 Ų | 80 | 42.3 Ų | 42.3 | 66% | 0.661 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -20.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R140 | A133-R140 PolarHBondContact O-NH2 3.28Š|
| 134 | S | 72 | Confident | 81.6 | Confident | 107 Ų | 107 | 42.2 Ų | 42.2 | 75% | 0.748 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -24.4 | 176 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | S132 | S132-S134 PolarHBondContact O-N 2.78Å; S132-S134 VanDerWaalsContact O-N 3.09Å; S132-S134 PolarHBondContact OG-OG 3.26Å |
| 135 | S | 77.8 | Confident | 81.7 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -65 | 145.2 | -177.3 | 65.6 | 0 | 0 | 0 | 0 | 113 | H129 S132 R140 | H129-S135 WeakPolarHBondContact O-CB 3.15Å; S132-S135 PolarHBondContact O-N 3.36Å; S132-S135 VanDerWaalsContact O-N 3.09Å; S132-S135 PolarHBondContact O-OG 3.3Å; S132-S135 PolarHBondContact OG-N 3.46Å; S135-R140 VanDerWaalsContact O-CZ 3.29Å; S135-R140 PolarHBondContact O-NE 3.21Å; S135-R140 PolarHBondContact O-NH2 3.32Å; S135-R140 WeakPolarHBondContact OG-CD 3.31Å; S135-R140 WeakPolarHBondContact OG-CG 3.24Å; S135-R140 PolarHBondContact OG-NE 2.67Å |
| 136 | H | 79.3 | Confident | 82 | Confident | 147 Ų | 147 | 42 Ų | 42 | 68% | 0.681 | 25% | 0.249 | S | C | * | . | trans | -61.5 | 141.7 | -179.7 | -84.5 | -92.2 | 0 | 0 | 0 | 112.3 | S138 V139 R140 | H136-S138 PolarHBondContact O-N 3.16Å; H136-S138 VanDerWaalsContact O-N 3.11Å; H136-V139 HydrophobicContact CB-CG2 3.97Å; H136-V139 WeakPolarHBondContact O-CA 3.48Å; H136-V139 WeakPolarHBondContact O-CB 3.41Å; H136-V139 PolarHBondContact O-N 2.83Å; H136-R140 PolarHBondContact O-N 2.71Å; H136-R140 VanDerWaalsContact O-N 3.1Å | ||
| 137 | S | 79.3 | Confident | 82.2 | Confident | 70 Ų | 70 | 42 Ų | 42 | 49% | 0.49 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.7 | -16.3 | -173.6 | 86.3 | 0 | 0 | 0 | 0 | 114.8 | L141 | S137-L141 WeakPolarHBondContact O-CG 3.35Å; S137-L141 PolarHBondContact O-N 2.77Å |
| 138 | S | 81.2 | Confident | 82.1 | Confident | 68 Ų | 68 | 43.1 Ų | 43.1 | 48% | 0.476 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69 | -52.9 | 165.5 | 46.1 | 0 | 0 | 0 | 0 | 111.2 | H136 R140 L141 S142 | H136-S138 PolarHBondContact O-N 3.16Å; H136-S138 VanDerWaalsContact O-N 3.11Å; S138-R140 VanDerWaalsContact C-N 3.35Å; S138-R140 PolarHBondContact O-N 2.93Å; S138-L141 WeakPolarHBondContact O-CB 3.08Å; S138-L141 PolarHBondContact O-N 3.16Å; S138-L141 VanDerWaalsContact O-N 3.08Å; S138-S142 PolarHBondContact O-N 3.37Å; S138-S142 PolarHBondContact O-OG 3.48Å |
| 139 | V | 85.8 | Confident | 82 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 9% | 0.085 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.6 | -49.3 | 178.4 | -179 | 0 | 0 | 0 | 0 | 111 | V85 H136 L141 S142 L143 | V85-V139 HydrophobicContact CG1-CG1 3.48Å; V85-V139 VanDerWaalsContact CG1-CG1 3.48Å; H136-V139 HydrophobicContact CB-CG2 3.97Å; H136-V139 WeakPolarHBondContact O-CA 3.48Å; H136-V139 WeakPolarHBondContact O-CB 3.41Å; H136-V139 PolarHBondContact O-N 2.83Å; V139-L141 PolarHBondContact O-N 3.19Å; V139-S142 VanDerWaalsContact CA-OG 3.29Å; V139-S142 WeakPolarHBondContact CA-OG 3.37Å; V139-S142 PolarHBondContact O-N 2.67Å; V139-S142 PolarHBondContact O-OG 3.35Å; V139-L143 PolarHBondContact O-N 3Å |
| 140 | R | 85.9 | Confident | 82.2 | Confident | 31 Ų | 31 | 41 Ų | 41 | 12% | 0.117 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57 | -47.1 | 175.7 | -59 | -171.7 | -140.5 | -177 | 3.8 | 112.2 | G130 S132 A133 S135 H136 S138 L143 C144 Y189 | G130-R140 WeakPolarHBondContact O-CA 3.31Å; G130-R140 WeakPolarHBondContact O-CG 3.35Å; S132-R140 PolarHBondContact O-NE 2.99Å; S132-R140 PolarHBondContact O-NH2 2.76Å; A133-R140 PolarHBondContact O-NH2 3.28Å; S135-R140 VanDerWaalsContact O-CZ 3.29Å; S135-R140 PolarHBondContact O-NE 3.21Å; S135-R140 PolarHBondContact O-NH2 3.32Å; S135-R140 WeakPolarHBondContact OG-CD 3.31Å; S135-R140 WeakPolarHBondContact OG-CG 3.24Å; S135-R140 PolarHBondContact OG-NE 2.67Å; H136-R140 PolarHBondContact O-N 2.71Å; H136-R140 VanDerWaalsContact O-N 3.1Å; S138-R140 VanDerWaalsContact C-N 3.35Å; S138-R140 PolarHBondContact O-N 2.93Å; R140-L143 PolarHBondContact O-N 3.3Å; R140-C144 WeakPolarHBondContact O-CB 3.48Å; R140-C144 PolarHBondContact O-N 2.83Å; R140-C144 PolarHBondContact O-SG 3.09Å; R140-Y189 HydrophobicContact CB-CE1 4.45Å |
| 141 | L | 85.1 | Confident | 82.3 | Confident | 53 Ų | 53 | 41 Ų | 41 | 28% | 0.277 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 179.3 | -83.5 | 174.8 | 0 | 0 | 0 | 112.4 | S137 S138 V139 S145 K186 V188 | S137-L141 WeakPolarHBondContact O-CG 3.35Å; S137-L141 PolarHBondContact O-N 2.77Å; S138-L141 WeakPolarHBondContact O-CB 3.08Å; S138-L141 PolarHBondContact O-N 3.16Å; S138-L141 VanDerWaalsContact O-N 3.08Å; V139-L141 PolarHBondContact O-N 3.19Å; L141-S145 WeakPolarHBondContact O-CB 3.41Å; L141-S145 PolarHBondContact O-N 2.73Å; L141-S145 PolarHBondContact O-OG 3.18Å; L141-K186 HydrophobicContact CD1-CD 4.23Å; L141-K186 HydrophobicContact CD2-CB 4.48Å; L141-K186 HydrophobicContact CD2-CD 3.96Å; L141-K186 HydrophobicContact CD2-CG 4.37Å; L141-K186 HydrophobicContact CG-CD 4.26Å; L141-V188 HydrophobicContact CD2-CB 3.99Å; L141-V188 HydrophobicContact CD2-CG1 4.39Å; L141-V188 HydrophobicContact CD2-CG2 3.87Å |
| 142 | S | 85.8 | Confident | 82.1 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 12% | 0.119 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.8 | -49.8 | 175.2 | 39.3 | 0 | 0 | 0 | 0 | 111.9 | L88 S138 V139 C144 S145 A146 | L88-S142 WeakPolarHBondContact O-CB 3.5Å; L88-S142 PolarHBondContact O-OG 3.37Å; S138-S142 PolarHBondContact O-N 3.37Å; S138-S142 PolarHBondContact O-OG 3.48Å; V139-S142 VanDerWaalsContact CA-OG 3.29Å; V139-S142 WeakPolarHBondContact CA-OG 3.37Å; V139-S142 PolarHBondContact O-N 2.67Å; V139-S142 PolarHBondContact O-OG 3.35Å; S142-C144 PolarHBondContact O-N 3.28Å; S142-S145 PolarHBondContact O-N 2.8Å; S142-S145 PolarHBondContact O-OG 2.99Å; S142-A146 WeakPolarHBondContact O-CB 3.34Å; S142-A146 PolarHBondContact O-N 2.91Å |
| 143 | L | 88.3 | Confident | 81.7 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.1 | -47.5 | -179.9 | 179.7 | 58.4 | 0 | 0 | 0 | 111.2 | L88 L103 L126 L131 V139 R140 S145 A146 L147 I150 | L88-L143 HydrophobicContact CD1-CB 4.49Å; L88-L143 HydrophobicContact CD1-CD1 3.82Å; L103-L143 HydrophobicContact CD2-CD1 4.41Å; L126-L143 HydrophobicContact CD2-CD1 4.24Å; L126-L143 HydrophobicContact CD2-CD2 4.34Å; L131-L143 HydrophobicContact CD2-CD2 4.06Å; L131-L143 HydrophobicContact CD2-CG 4.4Å; L131-L143 HydrophobicContact CG-CD2 4.09Å; V139-L143 PolarHBondContact O-N 3Å; R140-L143 PolarHBondContact O-N 3.3Å; L143-S145 VanDerWaalsContact C-N 3.27Å; L143-S145 PolarHBondContact O-N 2.72Å; L143-A146 CarbonylContact O-C 3.6Å; L143-A146 WeakPolarHBondContact O-CA 3.43Å; L143-A146 PolarHBondContact O-N 3.12Å; L143-L147 HydrophobicContact CD1-CD2 4.16Å; L143-L147 HydrophobicContact CD1-CG 4.23Å; L143-L147 HydrophobicContact CG-CD2 4.47Å; L143-L147 HydrophobicContact CG-CG 4.22Å; L143-L147 WeakPolarHBondContact O-CG 3.37Å; L143-L147 PolarHBondContact O-N 2.92Å; L143-I150 HydrophobicContact CD1-CD1 3.92Å |
| 144 | C | 86.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -37.6 | 177.2 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | L131 R140 S142 A146 P148 L175 V188 Y189 S192 | L131-C144 WeakPolarHBondContact CD2-SG 3.23Å; R140-C144 WeakPolarHBondContact O-CB 3.48Å; R140-C144 PolarHBondContact O-N 2.83Å; R140-C144 PolarHBondContact O-SG 3.09Å; S142-C144 PolarHBondContact O-N 3.28Å; C144-A146 VanDerWaalsContact C-N 3.28Å; C144-A146 PolarHBondContact O-N 3.02Å; C144-P148 WeakPolarHBondContact O-CD 3.46Å; C144-L175 HydrophobicContact CB-CD2 4.4Å; C144-L175 VanDerWaalsContact SG-CD2 3.55Å; C144-V188 HydrophobicContact CB-CG1 3.86Å; C144-Y189 HydrophobicContact CB-CD1 4.13Å; C144-Y189 HydrophobicContact CB-CE1 4.3Å; C144-Y189 WeakPolarHBondContact SG-CD1 3.35Å; C144-Y189 VanDerWaalsContact SG-CE1 3.52Å; C144-S192 VanDerWaalsContact C-OG 3.29Å; C144-S192 WeakPolarHBondContact CB-OG 3.4Å; C144-S192 PolarHBondContact O-OG 3.47Å |
| 145 | S | 85.3 | Confident | 81.5 | Confident | 68 Ų | 68 | 39.6 Ų | 39.6 | 48% | 0.476 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.3 | -24.3 | 174.5 | 77.2 | 0 | 0 | 0 | 0 | 113.9 | L141 S142 L143 Q149 | L141-S145 WeakPolarHBondContact O-CB 3.41Å; L141-S145 PolarHBondContact O-N 2.73Å; L141-S145 PolarHBondContact O-OG 3.18Å; S142-S145 PolarHBondContact O-N 2.8Å; S142-S145 PolarHBondContact O-OG 2.99Å; L143-S145 VanDerWaalsContact C-N 3.27Å; L143-S145 PolarHBondContact O-N 2.72Å; S145-Q149 PolarHBondContact O-NE2 3.18Å; S145-Q149 VanDerWaalsContact O-NE2 3.15Å |
| 146 | A | 87.8 | Confident | 81 | Confident | 3 Ų | 3 | 40 Ų | 40 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -90.9 | -27 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L88 T100 S142 L143 C144 Q149 I150 | L88-A146 HydrophobicContact CD1-CB 4.3Å; L88-A146 HydrophobicContact CD2-CB 4.27Å; T100-A146 HydrophobicContact CG2-CB 4.2Å; S142-A146 WeakPolarHBondContact O-CB 3.34Å; S142-A146 PolarHBondContact O-N 2.91Å; L143-A146 CarbonylContact O-C 3.6Å; L143-A146 WeakPolarHBondContact O-CA 3.43Å; L143-A146 PolarHBondContact O-N 3.12Å; C144-A146 VanDerWaalsContact C-N 3.28Å; C144-A146 PolarHBondContact O-N 3.02Å; A146-Q149 CarbonylContact O-C 3.54Å; A146-Q149 WeakPolarHBondContact O-CA 3.4Å; A146-Q149 WeakPolarHBondContact O-CB 3.44Å; A146-Q149 PolarHBondContact O-N 3.14Å; A146-I150 HydrophobicContact CB-CD1 3.64Å; A146-I150 HydrophobicContact CB-CG1 4.3Å; A146-I150 WeakPolarHBondContact O-CG1 3.4Å; A146-I150 PolarHBondContact O-N 3.01Å |
| 147 | L | 87.8 | Confident | 80.2 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -50.2 | -45.5 | -175.8 | -82.3 | 175.1 | 0 | 0 | 0 | 113.9 | L131 L143 Q149 I150 L151 I171 L175 L196 | L131-L147 HydrophobicContact CD1-CD1 4.47Å; L143-L147 HydrophobicContact CD1-CD2 4.16Å; L143-L147 HydrophobicContact CD1-CG 4.23Å; L143-L147 HydrophobicContact CG-CD2 4.47Å; L143-L147 HydrophobicContact CG-CG 4.22Å; L143-L147 WeakPolarHBondContact O-CG 3.37Å; L143-L147 PolarHBondContact O-N 2.92Å; L147-Q149 PolarHBondContact O-N 3.28Å; L147-I150 PolarHBondContact O-N 3.12Å; L147-L151 HydrophobicContact CD2-CD1 4.13Å; L147-L151 WeakPolarHBondContact O-CB 3.21Å; L147-L151 PolarHBondContact O-N 3.38Å; L147-I171 HydrophobicContact CD1-CG2 4.21Å; L147-L175 HydrophobicContact CD1-CD2 4.39Å; L147-L196 HydrophobicContact CB-CD1 4.38Å; L147-L196 HydrophobicContact CD1-CD1 4.38Å |
| 148 | P | 83.7 | Confident | 79.3 | Confident | 45 Ų | 45 | 41.7 Ų | 41.7 | 29% | 0.292 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.4 | -7.7 | 176.2 | -21.5 | 35.5 | 0 | 0 | 0 | 115.7 | C144 | C144-P148 WeakPolarHBondContact O-CD 3.46Å |
| 149 | Q | 82.3 | Confident | 78.4 | Confident | 118 Ų | 118 | 41.9 Ų | 41.9 | 55% | 0.551 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -103.8 | -26.2 | 175.2 | -60.4 | 172.7 | 75.6 | 0 | 0 | 111.5 | T100 R104 S145 A146 L147 T152 | T100-Q149 HydrophobicContact CG2-CB 4.04Å; R104-Q149 WeakPolarHBondContact CD-O 3.2Å; S145-Q149 PolarHBondContact O-NE2 3.18Å; S145-Q149 VanDerWaalsContact O-NE2 3.15Å; A146-Q149 CarbonylContact O-C 3.54Å; A146-Q149 WeakPolarHBondContact O-CA 3.4Å; A146-Q149 WeakPolarHBondContact O-CB 3.44Å; A146-Q149 PolarHBondContact O-N 3.14Å; L147-Q149 PolarHBondContact O-N 3.28Å; Q149-T152 WeakPolarHBondContact O-CG2 3.42Å |
| 150 | I | 85.5 | Confident | 77.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -77.1 | -47.6 | 173.4 | -65.4 | 160 | 0 | 0 | 0 | 109.9 | L88 T100 L103 R104 L107 L143 A146 L147 | L88-I150 HydrophobicContact CD1-CD1 4.47Å; T100-I150 HydrophobicContact CG2-CG1 4.01Å; L103-I150 HydrophobicContact CD2-CD1 3.61Å; L103-I150 HydrophobicContact CD2-CG1 4.32Å; L103-I150 HydrophobicContact CG-CD1 4.24Å; L103-I150 HydrophobicContact CG-CG1 4.46Å; L103-I150 HydrophobicContact CG-CG2 4.15Å; R104-I150 WeakPolarHBondContact CG-O 3.45Å; L107-I150 HydrophobicContact CD1-CG2 3.42Å; L107-I150 VanDerWaalsContact CD1-CG2 3.42Å; L143-I150 HydrophobicContact CD1-CD1 3.92Å; A146-I150 HydrophobicContact CB-CD1 3.64Å; A146-I150 HydrophobicContact CB-CG1 4.3Å; A146-I150 WeakPolarHBondContact O-CG1 3.4Å; A146-I150 PolarHBondContact O-N 3.01Å; L147-I150 PolarHBondContact O-N 3.12Å |
| 151 | L | 82.7 | Confident | 76.4 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -97.2 | 101.9 | 179.5 | -55.4 | 175.5 | 0 | 0 | 0 | 108.1 | L107 L147 L155 F156 F168 L196 L199 | L107-L151 HydrophobicContact CD1-CD2 3.84Å; L147-L151 HydrophobicContact CD2-CD1 4.13Å; L147-L151 WeakPolarHBondContact O-CB 3.21Å; L147-L151 PolarHBondContact O-N 3.38Å; L151-L155 HydrophobicContact CD2-CD2 4.18Å; L151-F156 HydrophobicContact CD2-CZ 4.34Å; L151-F168 HydrophobicContact CD1-CD1 3.97Å; L151-F168 HydrophobicContact CD1-CE1 3.46Å; L151-F168 VanDerWaalsContact CD1-CE1 3.46Å; L151-F168 HydrophobicContact CD1-CZ 4.37Å; L151-F168 HydrophobicContact CD2-CE1 3.58Å; L151-F168 HydrophobicContact CD2-CZ 3.73Å; L151-F168 HydrophobicContact CG-CE1 4.18Å; L151-L196 HydrophobicContact CB-CD2 3.75Å; L151-L196 HydrophobicContact CD1-CD1 4.18Å; L151-L196 HydrophobicContact CD1-CD2 3.66Å; L151-L196 HydrophobicContact CG-CD2 4.28Å; L151-L199 HydrophobicContact CB-CD2 4.02Å; L151-L199 WeakPolarHBondContact O-CD2 3.42Å |
| 152 | T | 75.9 | Confident | 75.3 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 9% | 0.092 | 28% | 0.278 | C | S | . | . | trans | -118.7 | 155.1 | -177.4 | 54.8 | 0 | 0 | 0 | 0 | 110.2 | R104 Q149 D154 L155 | R104-T152 PolarHBondContact NE-OG1 3.24Å; R104-T152 VanDerWaalsContact NE-OG1 3.13Å; R104-T152 PolarHBondContact NH2-OG1 3.27Å; Q149-T152 WeakPolarHBondContact O-CG2 3.42Å; T152-D154 VanDerWaalsContact C-N 3.31Å; T152-D154 PolarHBondContact O-N 2.97Å; T152-L155 WeakPolarHBondContact O-CB 3.49Å; T152-L155 PolarHBondContact O-N 3.18Å | ||
| 153 | P | 69.4 | Low | 74.4 | Confident | 75 Ų | 75 | 57.8 Ų | 57.8 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -67.8 | -34.7 | -170.2 | 28.1 | -32 | 0 | 0 | 0 | 111.9 | L155 F156 L199 | P153-L155 PolarHBondContact O-N 3.15Å; P153-F156 PolarHBondContact O-N 2.92Å; P153-F156 VanDerWaalsContact O-N 3.09Å; P153-L199 HydrophobicContact CB-CD1 4.03Å; P153-L199 HydrophobicContact CG-CD1 4.24Å |
| 154 | D | 68.7 | Low | 73.4 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -67.4 | 12.1 | 169 | 45.6 | -65.9 | 0 | 0 | 0 | 114.5 | R104 R108 T152 | R104-D154 IonicContact NH2-OD2 3.77Å; R104-D154 PolarHBondContact NH2-OD2 3.42Å; R108-D154 IonicContact CZ-OD2 3.43Å; R108-D154 PolarHBondContact NH2-O 3.41Å; R108-D154 IonicContact NH2-OD2 3.58Å; R108-D154 PolarHBondContact NH2-OD2 3.17Å; T152-D154 VanDerWaalsContact C-N 3.31Å; T152-D154 PolarHBondContact O-N 2.97Å |
| 155 | L | 68.1 | Low | 72.4 | Confident | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -89.2 | -27.7 | 165.2 | -153.3 | 97.1 | 0 | 0 | 0 | 111.8 | R104 L107 R108 L111 L151 T152 P153 | R104-L155 HydrophobicContact CG-CD1 4.34Å; L107-L155 HydrophobicContact CB-CD2 4.25Å; R108-L155 HydrophobicContact CG-CD1 3.44Å; R108-L155 VanDerWaalsContact CG-CD1 3.44Å; R108-L155 HydrophobicContact CG-CG 4.25Å; L111-L155 HydrophobicContact CD1-CD2 3.53Å; L111-L155 HydrophobicContact CD1-CG 3.78Å; L151-L155 HydrophobicContact CD2-CD2 4.18Å; T152-L155 WeakPolarHBondContact O-CB 3.49Å; T152-L155 PolarHBondContact O-N 3.18Å; P153-L155 PolarHBondContact O-N 3.15Å |
| 156 | F | 67.2 | Low | 71.7 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 10% | 0.096 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -112.2 | 10.8 | -166.6 | -53 | -62.2 | 0 | 0 | 0 | 113.8 | L111 L151 P153 S158 Y159 I164 F168 L199 F200 | L111-F156 HydrophobicContact CD1-CD1 4.25Å; L111-F156 HydrophobicContact CD1-CE1 4.25Å; L151-F156 HydrophobicContact CD2-CZ 4.34Å; P153-F156 PolarHBondContact O-N 2.92Å; P153-F156 VanDerWaalsContact O-N 3.09Å; F156-S158 PolarHBondContact O-N 3.46Å; F156-Y159 PolarHBondContact O-N 2.89Å; F156-I164 HydrophobicContact CD1-CD1 3.8Å; F156-I164 HydrophobicContact CD1-CG2 3.71Å; F156-I164 HydrophobicContact CE1-CD1 4.49Å; F156-I164 HydrophobicContact CE1-CG2 3.7Å; F156-F168 AromaticContact CE1-CE2 3.71Å; F156-F168 HydrophobicContact CE1-CE2 3.71Å; F156-F168 HydrophobicContact CE1-CZ 4.02Å; F156-F168 AromaticContact CZ-CE2 3.91Å; F156-F168 HydrophobicContact CZ-CE2 3.91Å; F156-F168 AromaticContact CZ-CZ 3.94Å; F156-F168 HydrophobicContact CZ-CZ 3.94Å; F156-L199 HydrophobicContact CE2-CD2 3.85Å; F156-F200 HydrophobicContact CD2-CE1 4.11Å; F156-F200 HydrophobicContact CE1-CE1 4.11Å; F156-F200 HydrophobicContact CE2-CD1 4.38Å; F156-F200 AromaticContact CE2-CE1 3.57Å; F156-F200 HydrophobicContact CE2-CE1 3.57Å; F156-F200 AromaticContact CE2-CZ 3.86Å; F156-F200 HydrophobicContact CE2-CZ 3.86Å; F156-F200 AromaticContact CZ-CE1 3.56Å; F156-F200 HydrophobicContact CZ-CE1 3.56Å; F156-F200 AromaticContact CZ-CZ 3.71Å; F156-F200 HydrophobicContact CZ-CZ 3.71Å |
| 157 | H | 62.6 | Low | 71.1 | Confident | 168 Ų | 168 | 58.9 Ų | 58.9 | 78% | 0.778 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -3.4 | -162.6 | -137.5 | -55.1 | 0 | 0 | 0 | 115.5 | ||
| 158 | S | 58.6 | Low | 70.8 | Confident | 85 Ų | 85 | 58.8 Ų | 58.8 | 59% | 0.594 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.7 | 14.5 | -174.9 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | F156 | F156-S158 PolarHBondContact O-N 3.46Š|
| 159 | Y | 64.1 | Low | 70.8 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 29% | 0.286 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -130.6 | 156.1 | -178 | -57.6 | -89.8 | 0 | 0 | 0 | 110.6 | L111 F112 F156 I164 | L111-Y159 HydrophobicContact CB-CE2 4.04Å; L111-Y159 HydrophobicContact CD2-CD2 4.39Å; L111-Y159 HydrophobicContact CD2-CE2 4.18Å; L111-Y159 PolarHBondContact O-OH 2.84Å; F112-Y159 WeakPolarHBondContact CA-OH 3.36Å; F112-Y159 PolarHBondContact N-OH 3.43Å; F156-Y159 PolarHBondContact O-N 2.89Å; Y159-I164 VanDerWaalsContact CB-CD1 3.41Å; Y159-I164 HydrophobicContact CD1-CD1 4.28Å; Y159-I164 HydrophobicContact CD2-CD1 3.89Å; Y159-I164 HydrophobicContact CG-CD1 3.59Å |
| 160 | D | 64.5 | Low | 70.9 | Confident | 95 Ų | 95 | 54.4 Ų | 54.4 | 51% | 0.508 | 28% | 0.279 | S | S | . | . | trans | -65.9 | 136.5 | 167.8 | -158.7 | -43.7 | 0 | 0 | 0 | 109.3 | K162 | D160-K162 VanDerWaalsContact C-N 3.27Å; D160-K162 PolarHBondContact O-N 3.26Å; D160-K162 PolarHBondContact OD1-N 2.95Å; D160-K162 VanDerWaalsContact OD1-N 3.16Å | ||
| 161 | R | 63.6 | Low | 70.9 | Confident | 148 Ų | 148 | 54.4 Ų | 54.4 | 56% | 0.558 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -69.5 | -27.6 | -176.2 | -70.2 | -177 | 176.4 | 179.1 | -0.9 | 112 | A165 | R161-A165 WeakPolarHBondContact O-CB 3.35Å; R161-A165 PolarHBondContact O-N 3.02Å |
| 162 | K | 63.5 | Low | 71.2 | Confident | 112 Ų | 112 | 54.3 Ų | 54.3 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.6 | -49.3 | -174.9 | -70.3 | 167.2 | -173.9 | 154 | 0 | 112 | D160 I164 A165 C166 E203 | D160-K162 VanDerWaalsContact C-N 3.27Å; D160-K162 PolarHBondContact O-N 3.26Å; D160-K162 PolarHBondContact OD1-N 2.95Å; D160-K162 VanDerWaalsContact OD1-N 3.16Å; K162-I164 PolarHBondContact O-N 2.73Å; K162-A165 WeakPolarHBondContact O-CB 3.46Å; K162-A165 PolarHBondContact O-N 3.21Å; K162-C166 PolarHBondContact O-N 2.95Å; K162-C166 VanDerWaalsContact O-N 3.16Å; K162-C166 PolarHBondContact O-SG 3.42Å; K162-E203 WeakPolarHBondContact CE-OE1 3.38Å; K162-E203 IonicContact NZ-OE1 3.64Å; K162-E203 PolarHBondContact NZ-OE1 3.07Å |
| 163 | D | 67.1 | Low | 71.8 | Confident | 93 Ų | 93 | 57 Ų | 57 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 179.9 | -58.7 | -19.2 | 0 | 0 | 0 | 110.3 | A165 C166 H167 | D163-A165 PolarHBondContact O-N 2.72Å; D163-C166 WeakPolarHBondContact O-CB 3.38Å; D163-C166 PolarHBondContact O-N 3.46Å; D163-H167 PolarHBondContact O-CD2 3.39Å |
| 164 | I | 66 | Low | 72.5 | Confident | 3 Ų | 3 | 53.9 Ų | 53.9 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 174.6 | -68.5 | -162.3 | 0 | 0 | 0 | 111.9 | L111 F156 Y159 K162 C166 H167 F168 F200 | L111-I164 HydrophobicContact CD2-CD1 3.73Å; F156-I164 HydrophobicContact CD1-CD1 3.8Å; F156-I164 HydrophobicContact CD1-CG2 3.71Å; F156-I164 HydrophobicContact CE1-CD1 4.49Å; F156-I164 HydrophobicContact CE1-CG2 3.7Å; Y159-I164 VanDerWaalsContact CB-CD1 3.41Å; Y159-I164 HydrophobicContact CD1-CD1 4.28Å; Y159-I164 HydrophobicContact CD2-CD1 3.89Å; Y159-I164 HydrophobicContact CG-CD1 3.59Å; K162-I164 PolarHBondContact O-N 2.73Å; I164-C166 PolarHBondContact O-N 3Å; I164-H167 PolarHBondContact O-N 3.5Å; I164-H167 VanDerWaalsContact O-N 3.13Å; I164-F168 HydrophobicContact CG2-CD2 3.8Å; I164-F168 HydrophobicContact CG2-CE2 3.72Å; I164-F168 WeakPolarHBondContact O-CD2 3.25Å; I164-F168 PolarHBondContact O-N 3.26Å; I164-F200 HydrophobicContact CG2-CE1 4.03Å |
| 165 | A | 66.9 | Low | 73.4 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.8 | -38.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R161 K162 D163 F168 L204 | R161-A165 WeakPolarHBondContact O-CB 3.35Å; R161-A165 PolarHBondContact O-N 3.02Å; K162-A165 WeakPolarHBondContact O-CB 3.46Å; K162-A165 PolarHBondContact O-N 3.21Å; D163-A165 PolarHBondContact O-N 2.72Å; A165-F168 PolarHBondContact O-N 2.9Å; A165-L204 HydrophobicContact CB-CB 4.06Å; A165-L204 HydrophobicContact CB-CD1 3.62Å; A165-L204 HydrophobicContact CB-CG 4.41Å |
| 166 | C | 70.6 | Confident | 74.3 | Confident | 55 Ų | 55 | 49.7 Ų | 49.7 | 37% | 0.372 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 175.5 | -63.5 | 0 | 0 | 0 | 0 | 112 | K162 D163 I164 F168 E169 F207 | K162-C166 PolarHBondContact O-N 2.95Å; K162-C166 VanDerWaalsContact O-N 3.16Å; K162-C166 PolarHBondContact O-SG 3.42Å; D163-C166 WeakPolarHBondContact O-CB 3.38Å; D163-C166 PolarHBondContact O-N 3.46Å; I164-C166 PolarHBondContact O-N 3Å; C166-F168 PolarHBondContact O-N 3.32Å; C166-E169 WeakPolarHBondContact O-CB 3.42Å; C166-E169 PolarHBondContact O-N 2.91Å; C166-F207 HydrophobicContact CB-CE1 4.45Å; C166-F207 HydrophobicContact CB-CZ 4.16Å; C166-F207 VanDerWaalsContact SG-CZ 3.53Å |
| 167 | H | 74.9 | Confident | 75.3 | Confident | 34 Ų | 34 | 51.1 Ų | 51.1 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -21.5 | -178.8 | -63 | -66.3 | 0 | 0 | 0 | 114 | L119 D120 D163 I164 | L119-H167 HydrophobicContact CD2-CB 4.28Å; D120-H167 IonicContact OD1-CE1 2.87Å; D120-H167 IonicContact OD1-CG 3.36Å; D120-H167 IonicContact OD1-ND1 2.73Å; D120-H167 PolarHBondContact OD1-ND1 2.97Å; D120-H167 IonicContact OD2-CE1 3.14Å; D120-H167 PolarHBondContact OD2-CE1 3.05Å; D120-H167 IonicContact OD2-ND1 3.53Å; D120-H167 PolarHBondContact OD2-ND1 3.03Å; D163-H167 PolarHBondContact O-CD2 3.39Å; I164-H167 PolarHBondContact O-N 3.5Å; I164-H167 VanDerWaalsContact O-N 3.13Å |
| 168 | F | 80.4 | Confident | 76.3 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -6.5 | 178.6 | -80.9 | -84.5 | 0 | 0 | 0 | 114.6 | L119 I123 L151 F156 I164 A165 C166 P170 I171 F172 F200 | L119-F168 HydrophobicContact CD2-CE2 4.45Å; I123-F168 HydrophobicContact CD1-CD1 4.15Å; I123-F168 HydrophobicContact CD1-CE1 3.44Å; I123-F168 VanDerWaalsContact CD1-CE1 3.44Å; I123-F168 HydrophobicContact CD1-CE2 4.48Å; I123-F168 HydrophobicContact CD1-CZ 3.64Å; I123-F168 HydrophobicContact CG1-CE1 4.35Å; I123-F168 HydrophobicContact CG1-CZ 4.41Å; L151-F168 HydrophobicContact CD1-CD1 3.97Å; L151-F168 HydrophobicContact CD1-CE1 3.46Å; L151-F168 VanDerWaalsContact CD1-CE1 3.46Å; L151-F168 HydrophobicContact CD1-CZ 4.37Å; L151-F168 HydrophobicContact CD2-CE1 3.58Å; L151-F168 HydrophobicContact CD2-CZ 3.73Å; L151-F168 HydrophobicContact CG-CE1 4.18Å; F156-F168 AromaticContact CE1-CE2 3.71Å; F156-F168 HydrophobicContact CE1-CE2 3.71Å; F156-F168 HydrophobicContact CE1-CZ 4.02Å; F156-F168 AromaticContact CZ-CE2 3.91Å; F156-F168 HydrophobicContact CZ-CE2 3.91Å; F156-F168 AromaticContact CZ-CZ 3.94Å; F156-F168 HydrophobicContact CZ-CZ 3.94Å; I164-F168 HydrophobicContact CG2-CD2 3.8Å; I164-F168 HydrophobicContact CG2-CE2 3.72Å; I164-F168 WeakPolarHBondContact O-CD2 3.25Å; I164-F168 PolarHBondContact O-N 3.26Å; A165-F168 PolarHBondContact O-N 2.9Å; C166-F168 PolarHBondContact O-N 3.32Å; F168-P170 VanDerWaalsContact C-CD 3.46Å; F168-I171 HydrophobicContact CD1-CD1 3.88Å; F168-I171 HydrophobicContact CE1-CD1 4.13Å; F168-I171 PolarHBondContact O-N 3.44Å; F168-F172 HydrophobicContact CB-CE2 4.15Å; F168-F172 VanDerWaalsContact O-CD2 3.3Å; F168-F172 WeakPolarHBondContact O-CD2 3.48Å; F168-F200 HydrophobicContact CB-CE2 4.35Å; F168-F200 HydrophobicContact CB-CZ 4.06Å; F168-F200 AromaticContact CD1-CZ 3.96Å; F168-F200 HydrophobicContact CD1-CZ 3.96Å; F168-F200 AromaticContact CD2-CE1 3.88Å; F168-F200 HydrophobicContact CD2-CE1 3.88Å; F168-F200 AromaticContact CD2-CZ 3.61Å; F168-F200 HydrophobicContact CD2-CZ 3.61Å; F168-F200 HydrophobicContact CE1-CZ 4.37Å; F168-F200 HydrophobicContact CE2-CE1 4.27Å; F168-F200 HydrophobicContact CE2-CZ 4.05Å; F168-F200 HydrophobicContact CG-CE1 4.27Å; F168-F200 HydrophobicContact CG-CE2 4.24Å; F168-F200 AromaticContact CG-CZ 3.57Å; F168-F200 HydrophobicContact CG-CZ 3.57Å; F168-F200 HydrophobicContact CZ-CZ 4.41Å |
| 169 | E | 84.8 | Confident | 77.6 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -52.1 | -42.7 | -179.1 | -166.8 | -91.1 | 140.2 | 0 | 0 | 114.4 | C166 I171 F172 F173 F207 L208 W212 R215 | C166-E169 WeakPolarHBondContact O-CB 3.42Å; C166-E169 PolarHBondContact O-N 2.91Å; E169-I171 VanDerWaalsContact C-N 3.26Å; E169-I171 PolarHBondContact O-N 3.35Å; E169-F172 PolarHBondContact O-N 2.97Å; E169-F172 VanDerWaalsContact O-N 3.1Å; E169-F173 PolarHBondContact O-N 3Å; E169-F173 VanDerWaalsContact O-N 3.14Å; E169-F207 HydrophobicContact CB-CE1 4.42Å; E169-F207 HydrophobicContact CG-CE1 4.39Å; E169-L208 HydrophobicContact CB-CD2 4.08Å; E169-L208 HydrophobicContact CG-CD2 3.53Å; E169-W212 PolarHBondContact OE1-NE1 3.3Å; E169-R215 IonicContact OE1-CZ 2.76Å; E169-R215 IonicContact OE1-NH1 3.1Å; E169-R215 PolarHBondContact OE1-NH1 3.11Å; E169-R215 IonicContact OE1-NH2 2.98Å; E169-R215 IonicContact OE2-CZ 3.35Å; E169-R215 IonicContact OE2-NH1 3.62Å; E169-R215 PolarHBondContact OE2-NH1 3.27Å; E169-R215 IonicContact OE2-NH2 2.75Å; E169-R215 PolarHBondContact OE2-NH2 3.27Å |
| 170 | P | 83.8 | Confident | 78.5 | Confident | 56 Ų | 56 | 40 Ų | 40 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.8 | -29.7 | 177.7 | -25.5 | 36.4 | 0 | 0 | 0 | 114.4 | V127 F168 S174 | V127-P170 HydrophobicContact CG2-CB 4.34Å; F168-P170 VanDerWaalsContact C-CD 3.46Å; P170-S174 VanDerWaalsContact O-CB 3.23Å; P170-S174 WeakPolarHBondContact O-CB 3.41Å; P170-S174 PolarHBondContact O-N 2.76Å |
| 171 | I | 86.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.1 | -38.8 | 176.9 | -72.8 | 173.4 | 0 | 0 | 0 | 110.6 | I123 V127 L131 L147 F168 E169 S174 L175 L196 | I123-I171 HydrophobicContact CD1-CD1 4.12Å; I123-I171 HydrophobicContact CG2-CD1 3.75Å; I123-I171 HydrophobicContact CG2-CG1 3.97Å; V127-I171 HydrophobicContact CG2-CG1 3.82Å; L131-I171 HydrophobicContact CD1-CG1 4.31Å; L131-I171 HydrophobicContact CD1-CG2 4.35Å; L147-I171 HydrophobicContact CD1-CG2 4.21Å; F168-I171 HydrophobicContact CD1-CD1 3.88Å; F168-I171 HydrophobicContact CE1-CD1 4.13Å; F168-I171 PolarHBondContact O-N 3.44Å; E169-I171 VanDerWaalsContact C-N 3.26Å; E169-I171 PolarHBondContact O-N 3.35Å; I171-S174 PolarHBondContact O-N 3.07Å; I171-L175 HydrophobicContact CG2-CD1 3.92Å; I171-L175 HydrophobicContact CG2-CG 4.33Å; I171-L175 WeakPolarHBondContact O-CB 3.46Å; I171-L175 VanDerWaalsContact O-CG 3.22Å; I171-L175 WeakPolarHBondContact O-CG 3.31Å; I171-L175 PolarHBondContact O-N 3.36Å; I171-L196 HydrophobicContact CG2-CD1 3.93Å |
| 172 | F | 88.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.5 | -39.3 | 177.1 | -70.8 | -80.1 | 0 | 0 | 0 | 112 | F168 E169 I176 F193 L196 L197 F200 L204 L208 W212 | F168-F172 HydrophobicContact CB-CE2 4.15Å; F168-F172 VanDerWaalsContact O-CD2 3.3Å; F168-F172 WeakPolarHBondContact O-CD2 3.48Å; E169-F172 PolarHBondContact O-N 2.97Å; E169-F172 VanDerWaalsContact O-N 3.1Å; F172-I176 PolarHBondContact O-N 3.08Å; F172-F193 HydrophobicContact CB-CD2 4.47Å; F172-F193 HydrophobicContact CB-CE2 4.1Å; F172-F193 AromaticContact CD1-CD2 3.76Å; F172-F193 HydrophobicContact CD1-CD2 3.76Å; F172-F193 AromaticContact CD1-CE2 3.74Å; F172-F193 HydrophobicContact CD1-CE2 3.74Å; F172-F193 HydrophobicContact CD1-CG 4.31Å; F172-F193 HydrophobicContact CD1-CZ 4.28Å; F172-F193 HydrophobicContact CG-CE2 4.42Å; F172-L196 HydrophobicContact CE1-CB 3.73Å; F172-L196 HydrophobicContact CZ-CB 3.6Å; F172-L197 HydrophobicContact CE1-CB 4.02Å; F172-F200 HydrophobicContact CE2-CD2 4.29Å; F172-F200 HydrophobicContact CE2-CE2 4.14Å; F172-F200 HydrophobicContact CZ-CD2 4.01Å; F172-F200 HydrophobicContact CZ-CE2 4.05Å; F172-L204 HydrophobicContact CD2-CD2 4.33Å; F172-L204 HydrophobicContact CE1-CD2 4.33Å; F172-L204 HydrophobicContact CE2-CD1 4.49Å; F172-L204 HydrophobicContact CE2-CD2 3.48Å; F172-L204 VanDerWaalsContact CE2-CD2 3.48Å; F172-L204 HydrophobicContact CZ-CD2 3.47Å; F172-L204 VanDerWaalsContact CZ-CD2 3.47Å; F172-L208 HydrophobicContact CB-CD1 4.17Å; F172-L208 HydrophobicContact CD1-CD1 4.18Å; F172-L208 HydrophobicContact CD2-CD1 3.98Å; F172-L208 HydrophobicContact CE2-CD1 4.47Å; F172-L208 HydrophobicContact CG-CD1 3.83Å; F172-W212 HydrophobicContact CB-CZ2 4.21Å |
| 173 | F | 87.7 | Confident | 80.5 | Confident | 73 Ų | 73 | 35.1 Ų | 35.1 | 32% | 0.32 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.6 | -54.1 | 172.3 | 178.5 | -91.4 | 0 | 0 | 0 | 111 | E169 L175 I176 D177 W212 L221 H225 | E169-F173 PolarHBondContact O-N 3Å; E169-F173 VanDerWaalsContact O-N 3.14Å; F173-L175 VanDerWaalsContact C-N 3.31Å; F173-L175 PolarHBondContact O-N 3.08Å; F173-I176 PolarHBondContact O-N 3.42Å; F173-D177 PolarHBondContact O-N 3.01Å; F173-W212 HydrophobicContact CB-CH2 4.4Å; F173-W212 HydrophobicContact CB-CZ2 3.91Å; F173-L221 HydrophobicContact CD2-CD1 3.94Å; F173-L221 HydrophobicContact CE2-CD1 3.63Å; F173-H225 AromaticContact CE2-CD2 3.88Å; F173-H225 AromaticContact CE2-NE2 3.94Å |
| 174 | S | 84.4 | Confident | 80.6 | Confident | 8 Ų | 8 | 32.2 Ų | 32.2 | 6% | 0.056 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -28.8 | -175.8 | -169.2 | 0 | 0 | 0 | 0 | 113.5 | L131 P170 I171 I176 C178 | L131-S174 WeakPolarHBondContact CB-OG 3.32Å; P170-S174 VanDerWaalsContact O-CB 3.23Å; P170-S174 WeakPolarHBondContact O-CB 3.41Å; P170-S174 PolarHBondContact O-N 2.76Å; I171-S174 PolarHBondContact O-N 3.07Å; S174-I176 VanDerWaalsContact C-N 3.34Å; S174-C178 WeakPolarHBondContact O-CB 3.04Å; S174-C178 PolarHBondContact O-N 3.27Å; S174-C178 PolarHBondContact O-SG 2.94Å; S174-C178 VanDerWaalsContact O-SG 3.35Å |
| 175 | L | 87.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.5 | -32.7 | 171.1 | -79 | 171.6 | 0 | 0 | 0 | 113.1 | C144 L147 I171 F173 F179 Y189 F193 L196 | C144-L175 HydrophobicContact CB-CD2 4.4Å; C144-L175 VanDerWaalsContact SG-CD2 3.55Å; L147-L175 HydrophobicContact CD1-CD2 4.39Å; I171-L175 HydrophobicContact CG2-CD1 3.92Å; I171-L175 HydrophobicContact CG2-CG 4.33Å; I171-L175 WeakPolarHBondContact O-CB 3.46Å; I171-L175 VanDerWaalsContact O-CG 3.22Å; I171-L175 WeakPolarHBondContact O-CG 3.31Å; I171-L175 PolarHBondContact O-N 3.36Å; F173-L175 VanDerWaalsContact C-N 3.31Å; F173-L175 PolarHBondContact O-N 3.08Å; L175-F179 PolarHBondContact O-N 2.83Å; L175-Y189 HydrophobicContact CD2-CD1 4.28Å; L175-F193 HydrophobicContact CB-CD2 4.45Å; L175-F193 HydrophobicContact CD1-CB 4.25Å; L175-L196 HydrophobicContact CD1-CD1 4.07Å |
| 176 | I | 87.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -78.1 | -44.3 | 175.9 | -79.8 | -178.1 | 0 | 0 | 0 | 110.8 | F172 F173 S174 C178 F179 I180 F193 W212 H225 L228 F229 W232 | F172-I176 PolarHBondContact O-N 3.08Å; F173-I176 PolarHBondContact O-N 3.42Å; S174-I176 VanDerWaalsContact C-N 3.34Å; I176-C178 PolarHBondContact O-N 3.1Å; I176-F179 WeakPolarHBondContact O-CB 3.37Å; I176-F179 PolarHBondContact O-N 2.78Å; I176-I180 HydrophobicContact CG2-CD1 3.74Å; I176-I180 HydrophobicContact CG2-CG1 4.46Å; I176-I180 WeakPolarHBondContact O-CG1 3.39Å; I176-I180 PolarHBondContact O-N 3.08Å; I176-F193 HydrophobicContact CD1-CD2 4.15Å; I176-F193 HydrophobicContact CD1-CE2 3.56Å; I176-F193 HydrophobicContact CD1-CZ 4.08Å; I176-F193 HydrophobicContact CG1-CD2 4.07Å; I176-F193 HydrophobicContact CG1-CE2 3.98Å; I176-W212 HydrophobicContact CD1-CH2 3.93Å; I176-W212 HydrophobicContact CD1-CZ3 3.75Å; I176-H225 HydrophobicContact CG2-CB 4.22Å; I176-H225 VanDerWaalsContact CG2-CD2 3.4Å; I176-H225 WeakPolarHBondContact CG2-CD2 3.48Å; I176-L228 HydrophobicContact CB-CD2 4.44Å; I176-L228 HydrophobicContact CD1-CD2 4.47Å; I176-L228 HydrophobicContact CG1-CD2 4.1Å; I176-L228 HydrophobicContact CG2-CD2 3.92Å; I176-F229 HydrophobicContact CD1-CB 4.25Å; I176-W232 HydrophobicContact CD1-CE3 4.36Å; I176-W232 HydrophobicContact CG1-CE3 4.06Å; I176-W232 HydrophobicContact CG1-CH2 4.41Å; I176-W232 HydrophobicContact CG1-CZ3 3.76Å |
| 177 | D | 86.9 | Confident | 81.1 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 28% | 0.278 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.7 | -45.7 | 173.3 | 178.9 | 55.5 | 0 | 0 | 0 | 111.5 | F173 F179 I180 S181 | F173-D177 PolarHBondContact O-N 3.01Å; D177-F179 PolarHBondContact O-N 2.92Å; D177-F179 VanDerWaalsContact O-N 3.12Å; D177-I180 PolarHBondContact O-N 3.43Å; D177-I180 VanDerWaalsContact O-N 3.11Å; D177-S181 WeakPolarHBondContact O-CB 3.31Å; D177-S181 PolarHBondContact O-N 3.45Å; D177-S181 PolarHBondContact O-OG 3.03Å |
| 178 | C | 84.7 | Confident | 81.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.4 | -31.6 | 173 | -86.9 | 0 | 0 | 0 | 0 | 114.1 | L131 S174 I176 S181 S182 Y189 | L131-C178 PolarHBondContact O-SG 3.05Å; S174-C178 WeakPolarHBondContact O-CB 3.04Å; S174-C178 PolarHBondContact O-N 3.27Å; S174-C178 PolarHBondContact O-SG 2.94Å; S174-C178 VanDerWaalsContact O-SG 3.35Å; I176-C178 PolarHBondContact O-N 3.1Å; C178-S181 PolarHBondContact O-OG 3.36Å; C178-S182 WeakPolarHBondContact O-CB 3.43Å; C178-S182 PolarHBondContact O-N 3.16Å; C178-S182 PolarHBondContact O-OG 3.43Å; C178-Y189 HydrophobicContact CB-CD1 3.66Å; C178-Y189 HydrophobicContact CB-CD2 4.41Å; C178-Y189 HydrophobicContact CB-CE1 3.62Å; C178-Y189 HydrophobicContact CB-CE2 4.36Å; C178-Y189 HydrophobicContact CB-CG 4.1Å; C178-Y189 WeakPolarHBondContact O-CE2 3.36Å |
| 179 | F | 84.8 | Confident | 81.9 | Confident | 37 Ų | 37 | 42.4 Ų | 42.4 | 16% | 0.162 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -79.2 | -41.4 | 177.1 | 179.8 | -91 | 0 | 0 | 0 | 111.9 | L175 I176 D177 S182 F183 G184 Y189 L228 W232 | L175-F179 PolarHBondContact O-N 2.83Å; I176-F179 WeakPolarHBondContact O-CB 3.37Å; I176-F179 PolarHBondContact O-N 2.78Å; D177-F179 PolarHBondContact O-N 2.92Å; D177-F179 VanDerWaalsContact O-N 3.12Å; F179-S182 CarbonylContact O-C 3.6Å; F179-S182 PolarHBondContact O-N 3.31Å; F179-F183 PolarHBondContact O-N 2.91Å; F179-G184 WeakPolarHBondContact CE2-O 3.27Å; F179-G184 PolarHBondContact O-N 2.93Å; F179-Y189 HydrophobicContact CB-CD2 4.26Å; F179-Y189 HydrophobicContact CB-CG 4.46Å; F179-Y189 HydrophobicContact CD2-CD2 4.49Å; F179-L228 HydrophobicContact CD1-CD1 4.49Å; F179-L228 HydrophobicContact CD1-CD2 3.59Å; F179-L228 HydrophobicContact CE1-CD1 4.11Å; F179-L228 HydrophobicContact CE1-CD2 4.05Å; F179-L228 HydrophobicContact CG-CD2 4.41Å; F179-W232 HydrophobicContact CB-CH2 3.72Å; F179-W232 HydrophobicContact CB-CZ2 4.26Å; F179-W232 HydrophobicContact CD1-CH2 4.03Å; F179-W232 AromaticContact CD1-CZ2 3.69Å; F179-W232 HydrophobicContact CD1-CZ2 3.69Å; F179-W232 AromaticContact CD2-CH2 3.76Å; F179-W232 HydrophobicContact CD2-CH2 3.76Å; F179-W232 AromaticContact CD2-CZ2 3.68Å; F179-W232 HydrophobicContact CD2-CZ2 3.68Å; F179-W232 AromaticContact CE1-CZ2 3.83Å; F179-W232 HydrophobicContact CE1-CZ2 3.83Å; F179-W232 HydrophobicContact CE2-CH2 4.35Å; F179-W232 AromaticContact CE2-CZ2 3.82Å; F179-W232 HydrophobicContact CE2-CZ2 3.82Å; F179-W232 AromaticContact CG-CH2 3.56Å; F179-W232 HydrophobicContact CG-CH2 3.56Å; F179-W232 AromaticContact CG-CZ2 3.6Å; F179-W232 HydrophobicContact CG-CZ2 3.6Å; F179-W232 AromaticContact CZ-CZ2 3.89Å; F179-W232 HydrophobicContact CZ-CZ2 3.89Å |
| 180 | I | 84.6 | Confident | 82 | Confident | 55 Ų | 55 | 45.2 Ų | 45.2 | 28% | 0.282 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.8 | -50.2 | 176.1 | -67.5 | 167.9 | 0 | 0 | 0 | 109.9 | I176 D177 S182 F183 V224 | I176-I180 HydrophobicContact CG2-CD1 3.74Å; I176-I180 HydrophobicContact CG2-CG1 4.46Å; I176-I180 WeakPolarHBondContact O-CG1 3.39Å; I176-I180 PolarHBondContact O-N 3.08Å; D177-I180 PolarHBondContact O-N 3.43Å; D177-I180 VanDerWaalsContact O-N 3.11Å; I180-S182 PolarHBondContact O-N 2.81Å; I180-F183 WeakPolarHBondContact O-CA 3.1Å; I180-F183 PolarHBondContact O-N 3.11Å; I180-V224 HydrophobicContact CD1-CG1 4.12Å |
| 181 | S | 81.5 | Confident | 82.2 | Confident | 56 Ų | 56 | 47.2 Ų | 47.2 | 39% | 0.392 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.4 | 175.9 | 79.5 | 0 | 0 | 0 | 0 | 113.3 | D177 C178 F183 | D177-S181 WeakPolarHBondContact O-CB 3.31Å; D177-S181 PolarHBondContact O-N 3.45Å; D177-S181 PolarHBondContact O-OG 3.03Å; C178-S181 PolarHBondContact O-OG 3.36Å; S181-F183 VanDerWaalsContact C-N 3.34Å |
| 182 | S | 78.6 | Confident | 82.2 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 5.6 | 171.6 | -64 | 0 | 0 | 0 | 0 | 113.5 | C178 F179 I180 G184 N185 Y189 | C178-S182 WeakPolarHBondContact O-CB 3.43Å; C178-S182 PolarHBondContact O-N 3.16Å; C178-S182 PolarHBondContact O-OG 3.43Å; F179-S182 CarbonylContact O-C 3.6Å; F179-S182 PolarHBondContact O-N 3.31Å; I180-S182 PolarHBondContact O-N 2.81Å; S182-G184 PolarHBondContact O-N 3.18Å; S182-G184 VanDerWaalsContact O-N 3.17Å; S182-N185 WeakPolarHBondContact O-CB 2.92Å; S182-N185 PolarHBondContact O-N 2.87Å; S182-N185 VanDerWaalsContact O-N 3.11Å; S182-N185 PolarHBondContact O-ND2 3.41Å; S182-Y189 WeakPolarHBondContact OG-CE2 3.03Å |
| 183 | F | 73.7 | Confident | 82.2 | Confident | 179 Ų | 179 | 47.3 Ų | 47.3 | 79% | 0.785 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 37.2 | -174.8 | -57.6 | -87.2 | 0 | 0 | 0 | 112.8 | F179 I180 S181 N185 | F179-F183 PolarHBondContact O-N 2.91Å; I180-F183 WeakPolarHBondContact O-CA 3.1Å; I180-F183 PolarHBondContact O-N 3.11Å; S181-F183 VanDerWaalsContact C-N 3.34Å; F183-N185 PolarHBondContact O-N 3.45Å; F183-N185 VanDerWaalsContact O-N 3.1Å; F183-N185 PolarHBondContact O-ND2 3.07Å |
| 184 | G | 68.4 | Low | 82.2 | Confident | 31 Ų | 31 | 45.5 Ų | 45.5 | 32% | 0.32 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | -2.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 117 | F179 S182 K186 | F179-G184 WeakPolarHBondContact CE2-O 3.27Å; F179-G184 PolarHBondContact O-N 2.93Å; S182-G184 PolarHBondContact O-N 3.18Å; S182-G184 VanDerWaalsContact O-N 3.17Å; G184-K186 PolarHBondContact O-N 3.09Å |
| 185 | N | 66.3 | Low | 82.2 | Confident | 136 Ų | 136 | 47.9 Ų | 47.9 | 73% | 0.727 | 27% | 0.266 | S | S | * | . | trans | -64.4 | -11.2 | -173 | -69.8 | -76.1 | 0 | 0 | 0 | 115.3 | S182 F183 | S182-N185 WeakPolarHBondContact O-CB 2.92Å; S182-N185 PolarHBondContact O-N 2.87Å; S182-N185 VanDerWaalsContact O-N 3.11Å; S182-N185 PolarHBondContact O-ND2 3.41Å; F183-N185 PolarHBondContact O-N 3.45Å; F183-N185 VanDerWaalsContact O-N 3.1Å; F183-N185 PolarHBondContact O-ND2 3.07Å | ||
| 186 | K | 70 | Confident | 82 | Confident | 53 Ų | 53 | 48 Ų | 48 | 23% | 0.23 | 27% | 0.266 | C | S | . | . | trans | -125.1 | 97.3 | -169.6 | -70.7 | 171.9 | 174.8 | -174.1 | 0 | 110.5 | L141 G184 V188 Y189 | L141-K186 HydrophobicContact CD1-CD 4.23Å; L141-K186 HydrophobicContact CD2-CB 4.48Å; L141-K186 HydrophobicContact CD2-CD 3.96Å; L141-K186 HydrophobicContact CD2-CG 4.37Å; L141-K186 HydrophobicContact CG-CD 4.26Å; G184-K186 PolarHBondContact O-N 3.09Å; K186-V188 PolarHBondContact O-N 3.49Å; K186-V188 VanDerWaalsContact O-N 3.13Å; K186-Y189 HydrophobicContact CB-CD2 3.75Å; K186-Y189 HydrophobicContact CB-CE2 3.49Å; K186-Y189 VanDerWaalsContact CB-CE2 3.49Å; K186-Y189 HydrophobicContact CD-CE2 3.63Å; K186-Y189 HydrophobicContact CG-CE2 4.21Å; K186-Y189 WeakPolarHBondContact O-CD2 3.49Å | ||
| 187 | S | 77.8 | Confident | 81.8 | Confident | 76 Ų | 76 | 48 Ų | 48 | 53% | 0.531 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -12.8 | 178.2 | 57.2 | 0 | 0 | 0 | 0 | 114.6 | Y189 K190 N191 | S187-Y189 VanDerWaalsContact C-N 3.34Å; S187-Y189 PolarHBondContact O-N 2.91Å; S187-K190 PolarHBondContact O-N 2.97Å; S187-N191 VanDerWaalsContact O-CG 3.29Å; S187-N191 PolarHBondContact O-N 3.32Å; S187-N191 PolarHBondContact O-ND2 2.87Å |
| 188 | V | 84.6 | Confident | 81.5 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 26% | 0.261 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.3 | -47.8 | 177.3 | -175.5 | 0 | 0 | 0 | 0 | 111 | L141 C144 K186 K190 N191 S192 | L141-V188 HydrophobicContact CD2-CB 3.99Å; L141-V188 HydrophobicContact CD2-CG1 4.39Å; L141-V188 HydrophobicContact CD2-CG2 3.87Å; C144-V188 HydrophobicContact CB-CG1 3.86Å; K186-V188 PolarHBondContact O-N 3.49Å; K186-V188 VanDerWaalsContact O-N 3.13Å; V188-K190 PolarHBondContact O-N 2.91Å; V188-N191 WeakPolarHBondContact O-CB 3.43Å; V188-N191 PolarHBondContact O-N 3.38Å; V188-N191 VanDerWaalsContact O-N 3.08Å; V188-S192 PolarHBondContact O-N 3.27Å; V188-S192 PolarHBondContact O-OG 2.89Å |
| 189 | Y | 87.4 | Confident | 81.1 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59 | -43.5 | -179.4 | -54.1 | -62.7 | 0 | 0 | 0 | 112.6 | R140 C144 L175 C178 F179 S182 K186 S187 S192 F193 | R140-Y189 HydrophobicContact CB-CE1 4.45Å; C144-Y189 HydrophobicContact CB-CD1 4.13Å; C144-Y189 HydrophobicContact CB-CE1 4.3Å; C144-Y189 WeakPolarHBondContact SG-CD1 3.35Å; C144-Y189 VanDerWaalsContact SG-CE1 3.52Å; L175-Y189 HydrophobicContact CD2-CD1 4.28Å; C178-Y189 HydrophobicContact CB-CD1 3.66Å; C178-Y189 HydrophobicContact CB-CD2 4.41Å; C178-Y189 HydrophobicContact CB-CE1 3.62Å; C178-Y189 HydrophobicContact CB-CE2 4.36Å; C178-Y189 HydrophobicContact CB-CG 4.1Å; C178-Y189 WeakPolarHBondContact O-CE2 3.36Å; F179-Y189 HydrophobicContact CB-CD2 4.26Å; F179-Y189 HydrophobicContact CB-CG 4.46Å; F179-Y189 HydrophobicContact CD2-CD2 4.49Å; S182-Y189 WeakPolarHBondContact OG-CE2 3.03Å; K186-Y189 HydrophobicContact CB-CD2 3.75Å; K186-Y189 HydrophobicContact CB-CE2 3.49Å; K186-Y189 VanDerWaalsContact CB-CE2 3.49Å; K186-Y189 HydrophobicContact CD-CE2 3.63Å; K186-Y189 HydrophobicContact CG-CE2 4.21Å; K186-Y189 WeakPolarHBondContact O-CD2 3.49Å; S187-Y189 VanDerWaalsContact C-N 3.34Å; S187-Y189 PolarHBondContact O-N 2.91Å; Y189-S192 PolarHBondContact O-N 3.12Å; Y189-F193 WeakPolarHBondContact O-CB 3.32Å; Y189-F193 PolarHBondContact O-N 3.34Å |
| 190 | K | 87.1 | Confident | 80.6 | Confident | 74 Ų | 74 | 52.7 Ų | 52.7 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 174.2 | -177.8 | 167.3 | -172.1 | 158.6 | 0 | 111.9 | S187 V188 F193 V194 R231 W232 | S187-K190 PolarHBondContact O-N 2.97Å; V188-K190 PolarHBondContact O-N 2.91Å; K190-F193 PolarHBondContact O-N 2.77Å; K190-V194 HydrophobicContact CG-CG2 4.24Å; K190-V194 WeakPolarHBondContact O-CB 3.19Å; K190-V194 WeakPolarHBondContact O-CG2 3.43Å; K190-V194 PolarHBondContact O-N 3.12Å; K190-R231 PolarHBondContact NZ-O 3.18Å; K190-W232 HydrophobicContact CB-CD2 4.2Å; K190-W232 HydrophobicContact CB-CE3 4.33Å; K190-W232 HydrophobicContact CB-CH2 3.76Å; K190-W232 HydrophobicContact CB-CZ2 3.62Å; K190-W232 HydrophobicContact CB-CZ3 4.13Å; K190-W232 HydrophobicContact CD-CD2 4.05Å; K190-W232 HydrophobicContact CD-CG 4.12Å; K190-W232 HydrophobicContact CD-CZ2 4.19Å; K190-W232 VanDerWaalsContact CE-CD1 3.47Å; K190-W232 HydrophobicContact CG-CD2 3.75Å; K190-W232 HydrophobicContact CG-CE3 4.18Å; K190-W232 HydrophobicContact CG-CG 4.16Å; K190-W232 HydrophobicContact CG-CH2 4.39Å; K190-W232 HydrophobicContact CG-CZ2 4Å; K190-W232 HydrophobicContact CG-CZ3 4.49Å |
| 191 | N | 86.8 | Confident | 80.2 | Confident | 97 Ų | 97 | 51 Ų | 51 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 179 | -66.4 | -21.4 | 0 | 0 | 0 | 110.9 | S187 V188 V194 S195 | S187-N191 VanDerWaalsContact O-CG 3.29Å; S187-N191 PolarHBondContact O-N 3.32Å; S187-N191 PolarHBondContact O-ND2 2.87Å; V188-N191 WeakPolarHBondContact O-CB 3.43Å; V188-N191 PolarHBondContact O-N 3.38Å; V188-N191 VanDerWaalsContact O-N 3.08Å; N191-V194 PolarHBondContact O-N 3.19Å; N191-S195 VanDerWaalsContact O-CB 3.26Å; N191-S195 WeakPolarHBondContact O-CB 3.43Å; N191-S195 PolarHBondContact O-N 3.09Å; N191-S195 PolarHBondContact O-OG 3.44Å |
| 192 | S | 86.8 | Confident | 79.7 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 174.8 | -49.8 | 0 | 0 | 0 | 0 | 111.4 | C144 V188 Y189 V194 S195 L196 | C144-S192 VanDerWaalsContact C-OG 3.29Å; C144-S192 WeakPolarHBondContact CB-OG 3.4Å; C144-S192 PolarHBondContact O-OG 3.47Å; V188-S192 PolarHBondContact O-N 3.27Å; V188-S192 PolarHBondContact O-OG 2.89Å; Y189-S192 PolarHBondContact O-N 3.12Å; S192-V194 PolarHBondContact O-N 3.43Å; S192-S195 PolarHBondContact O-N 3.15Å; S192-L196 WeakPolarHBondContact O-CG 3.44Å; S192-L196 PolarHBondContact O-N 2.68Å |
| 193 | F | 89.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.2 | -51.3 | 178.6 | -178.4 | -78.2 | 0 | 0 | 0 | 111.9 | F172 L175 I176 Y189 K190 S195 L196 L197 F229 W232 | F172-F193 HydrophobicContact CB-CD2 4.47Å; F172-F193 HydrophobicContact CB-CE2 4.1Å; F172-F193 AromaticContact CD1-CD2 3.76Å; F172-F193 HydrophobicContact CD1-CD2 3.76Å; F172-F193 AromaticContact CD1-CE2 3.74Å; F172-F193 HydrophobicContact CD1-CE2 3.74Å; F172-F193 HydrophobicContact CD1-CG 4.31Å; F172-F193 HydrophobicContact CD1-CZ 4.28Å; F172-F193 HydrophobicContact CG-CE2 4.42Å; L175-F193 HydrophobicContact CB-CD2 4.45Å; L175-F193 HydrophobicContact CD1-CB 4.25Å; I176-F193 HydrophobicContact CD1-CD2 4.15Å; I176-F193 HydrophobicContact CD1-CE2 3.56Å; I176-F193 HydrophobicContact CD1-CZ 4.08Å; I176-F193 HydrophobicContact CG1-CD2 4.07Å; I176-F193 HydrophobicContact CG1-CE2 3.98Å; Y189-F193 WeakPolarHBondContact O-CB 3.32Å; Y189-F193 PolarHBondContact O-N 3.34Å; K190-F193 PolarHBondContact O-N 2.77Å; F193-S195 VanDerWaalsContact C-N 3.34Å; F193-S195 PolarHBondContact O-N 2.77Å; F193-L196 PolarHBondContact O-N 2.77Å; F193-L197 HydrophobicContact CD1-CD2 4.5Å; F193-L197 HydrophobicContact CE1-CD2 3.71Å; F193-L197 HydrophobicContact CZ-CD2 4.26Å; F193-L197 WeakPolarHBondContact O-CB 3.37Å; F193-L197 PolarHBondContact O-N 3.11Å; F193-F229 AromaticContact CZ-CD2 3.82Å; F193-F229 HydrophobicContact CZ-CD2 3.82Å; F193-F229 HydrophobicContact CZ-CE2 4.31Å; F193-W232 HydrophobicContact CB-CE3 3.71Å; F193-W232 HydrophobicContact CB-CZ3 3.77Å; F193-W232 HydrophobicContact CD1-CB 4.01Å; F193-W232 HydrophobicContact CD1-CD2 4.47Å; F193-W232 AromaticContact CD1-CE3 3.64Å; F193-W232 HydrophobicContact CD1-CE3 3.64Å; F193-W232 AromaticContact CD2-CE3 3.94Å; F193-W232 HydrophobicContact CD2-CE3 3.94Å; F193-W232 HydrophobicContact CD2-CZ3 4.17Å; F193-W232 HydrophobicContact CE1-CB 3.83Å; F193-W232 HydrophobicContact CE1-CE3 4.21Å; F193-W232 HydrophobicContact CE2-CE3 4.47Å; F193-W232 AromaticContact CG-CE3 3.5Å; F193-W232 HydrophobicContact CG-CE3 3.5Å; F193-W232 AromaticContact CG-CZ3 3.93Å; F193-W232 HydrophobicContact CG-CZ3 3.93Å |
| 194 | V | 87.2 | Confident | 79.2 | Confident | 34 Ų | 34 | 45 Ų | 45 | 21% | 0.206 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.5 | -33.3 | -178.6 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | K190 N191 S192 K198 | K190-V194 HydrophobicContact CG-CG2 4.24Å; K190-V194 WeakPolarHBondContact O-CB 3.19Å; K190-V194 WeakPolarHBondContact O-CG2 3.43Å; K190-V194 PolarHBondContact O-N 3.12Å; N191-V194 PolarHBondContact O-N 3.19Å; S192-V194 PolarHBondContact O-N 3.43Å; V194-K198 HydrophobicContact CG1-CD 4.29Å; V194-K198 WeakPolarHBondContact O-CB 3.23Å; V194-K198 VanDerWaalsContact O-CG 3.26Å; V194-K198 WeakPolarHBondContact O-CG 3.42Å; V194-K198 PolarHBondContact O-N 3.44Å |
| 195 | S | 83.9 | Confident | 79.8 | Confident | 59 Ų | 59 | 44.6 Ų | 44.6 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.6 | -41.7 | 173.4 | -81.6 | 0 | 0 | 0 | 0 | 112.7 | N191 S192 F193 L199 | N191-S195 VanDerWaalsContact O-CB 3.26Å; N191-S195 WeakPolarHBondContact O-CB 3.43Å; N191-S195 PolarHBondContact O-N 3.09Å; N191-S195 PolarHBondContact O-OG 3.44Å; S192-S195 PolarHBondContact O-N 3.15Å; F193-S195 VanDerWaalsContact C-N 3.34Å; F193-S195 PolarHBondContact O-N 2.77Å; S195-L199 PolarHBondContact O-N 3.46Å |
| 196 | L | 83.4 | Confident | 80.3 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.1 | -41.9 | 177.8 | -66.2 | 179.5 | 0 | 0 | 0 | 111.8 | L147 L151 I171 F172 L175 S192 F193 K198 L199 F200 | L147-L196 HydrophobicContact CB-CD1 4.38Å; L147-L196 HydrophobicContact CD1-CD1 4.38Å; L151-L196 HydrophobicContact CB-CD2 3.75Å; L151-L196 HydrophobicContact CD1-CD1 4.18Å; L151-L196 HydrophobicContact CD1-CD2 3.66Å; L151-L196 HydrophobicContact CG-CD2 4.28Å; I171-L196 HydrophobicContact CG2-CD1 3.93Å; F172-L196 HydrophobicContact CE1-CB 3.73Å; F172-L196 HydrophobicContact CZ-CB 3.6Å; L175-L196 HydrophobicContact CD1-CD1 4.07Å; S192-L196 WeakPolarHBondContact O-CG 3.44Å; S192-L196 PolarHBondContact O-N 2.68Å; F193-L196 PolarHBondContact O-N 2.77Å; L196-K198 VanDerWaalsContact C-N 3.26Å; L196-K198 PolarHBondContact O-N 3.38Å; L196-L199 HydrophobicContact CD2-CD2 4.41Å; L196-L199 WeakPolarHBondContact O-CA 3.5Å; L196-L199 WeakPolarHBondContact O-CB 3.34Å; L196-L199 PolarHBondContact O-N 2.91Å; L196-F200 VanDerWaalsContact O-CD2 3.22Å; L196-F200 WeakPolarHBondContact O-CD2 3.37Å; L196-F200 PolarHBondContact O-N 3.44Å |
| 197 | L | 83.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.5 | -35 | 179.5 | -170.8 | 52.8 | 0 | 0 | 0 | 111.7 | F172 F193 L199 G201 L204 Y205 L208 I236 | F172-L197 HydrophobicContact CE1-CB 4.02Å; F193-L197 HydrophobicContact CD1-CD2 4.5Å; F193-L197 HydrophobicContact CE1-CD2 3.71Å; F193-L197 HydrophobicContact CZ-CD2 4.26Å; F193-L197 WeakPolarHBondContact O-CB 3.37Å; F193-L197 PolarHBondContact O-N 3.11Å; L197-L199 VanDerWaalsContact C-N 3.25Å; L197-L199 PolarHBondContact O-N 2.93Å; L197-G201 PolarHBondContact O-N 3.08Å; L197-G201 VanDerWaalsContact O-N 3.14Å; L197-L204 HydrophobicContact CD1-CD2 3.82Å; L197-L204 HydrophobicContact CD1-CG 4.11Å; L197-Y205 HydrophobicContact CD2-CD2 4.43Å; L197-L208 HydrophobicContact CD1-CD1 4.18Å; L197-I236 HydrophobicContact CB-CD1 3.91Å; L197-I236 HydrophobicContact CD2-CD1 3.63Å; L197-I236 HydrophobicContact CG-CD1 3.64Å |
| 198 | K | 81.8 | Confident | 81 | Confident | 134 Ų | 134 | 39.2 Ų | 39.2 | 58% | 0.583 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -70.9 | -13.5 | 170.8 | -74.2 | -177 | 175.3 | -162.3 | 0 | 115 | V194 L196 I236 | V194-K198 HydrophobicContact CG1-CD 4.29Å; V194-K198 WeakPolarHBondContact O-CB 3.23Å; V194-K198 VanDerWaalsContact O-CG 3.26Å; V194-K198 WeakPolarHBondContact O-CG 3.42Å; V194-K198 PolarHBondContact O-N 3.44Å; L196-K198 VanDerWaalsContact C-N 3.26Å; L196-K198 PolarHBondContact O-N 3.38Å; K198-I236 HydrophobicContact CG-CD1 4.04Å; K198-I236 HydrophobicContact CG-CG1 4.18Å |
| 199 | L | 75.9 | Confident | 80.9 | Confident | 44 Ų | 44 | 40.6 Ų | 40.6 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -83.4 | -45 | -179.3 | -164.1 | 75.7 | 0 | 0 | 0 | 111.6 | L151 P153 F156 S195 L196 L197 | L151-L199 HydrophobicContact CB-CD2 4.02Å; L151-L199 WeakPolarHBondContact O-CD2 3.42Å; P153-L199 HydrophobicContact CB-CD1 4.03Å; P153-L199 HydrophobicContact CG-CD1 4.24Å; F156-L199 HydrophobicContact CE2-CD2 3.85Å; S195-L199 PolarHBondContact O-N 3.46Å; L196-L199 HydrophobicContact CD2-CD2 4.41Å; L196-L199 WeakPolarHBondContact O-CA 3.5Å; L196-L199 WeakPolarHBondContact O-CB 3.34Å; L196-L199 PolarHBondContact O-N 2.91Å; L197-L199 VanDerWaalsContact C-N 3.25Å; L197-L199 PolarHBondContact O-N 2.93Å |
| 200 | F | 74.5 | Confident | 80.6 | Confident | 10 Ų | 10 | 44.1 Ų | 44.1 | 4% | 0.044 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -83.1 | -29.3 | 179 | -60.1 | -79.6 | 0 | 0 | 0 | 112.3 | F156 I164 F168 F172 L196 L204 | F156-F200 HydrophobicContact CD2-CE1 4.11Å; F156-F200 HydrophobicContact CE1-CE1 4.11Å; F156-F200 HydrophobicContact CE2-CD1 4.38Å; F156-F200 AromaticContact CE2-CE1 3.57Å; F156-F200 HydrophobicContact CE2-CE1 3.57Å; F156-F200 AromaticContact CE2-CZ 3.86Å; F156-F200 HydrophobicContact CE2-CZ 3.86Å; F156-F200 AromaticContact CZ-CE1 3.56Å; F156-F200 HydrophobicContact CZ-CE1 3.56Å; F156-F200 AromaticContact CZ-CZ 3.71Å; F156-F200 HydrophobicContact CZ-CZ 3.71Å; I164-F200 HydrophobicContact CG2-CE1 4.03Å; F168-F200 HydrophobicContact CB-CE2 4.35Å; F168-F200 HydrophobicContact CB-CZ 4.06Å; F168-F200 AromaticContact CD1-CZ 3.96Å; F168-F200 HydrophobicContact CD1-CZ 3.96Å; F168-F200 AromaticContact CD2-CE1 3.88Å; F168-F200 HydrophobicContact CD2-CE1 3.88Å; F168-F200 AromaticContact CD2-CZ 3.61Å; F168-F200 HydrophobicContact CD2-CZ 3.61Å; F168-F200 HydrophobicContact CE1-CZ 4.37Å; F168-F200 HydrophobicContact CE2-CE1 4.27Å; F168-F200 HydrophobicContact CE2-CZ 4.05Å; F168-F200 HydrophobicContact CG-CE1 4.27Å; F168-F200 HydrophobicContact CG-CE2 4.24Å; F168-F200 AromaticContact CG-CZ 3.57Å; F168-F200 HydrophobicContact CG-CZ 3.57Å; F168-F200 HydrophobicContact CZ-CZ 4.41Å; F172-F200 HydrophobicContact CE2-CD2 4.29Å; F172-F200 HydrophobicContact CE2-CE2 4.14Å; F172-F200 HydrophobicContact CZ-CD2 4.01Å; F172-F200 HydrophobicContact CZ-CE2 4.05Å; L196-F200 VanDerWaalsContact O-CD2 3.22Å; L196-F200 WeakPolarHBondContact O-CD2 3.37Å; L196-F200 PolarHBondContact O-N 3.44Å; F200-L204 HydrophobicContact CB-CB 3.66Å; F200-L204 HydrophobicContact CB-CD2 3.54Å; F200-L204 HydrophobicContact CB-CG 4.2Å; F200-L204 HydrophobicContact CD2-CD2 3.45Å; F200-L204 VanDerWaalsContact CD2-CD2 3.45Å; F200-L204 HydrophobicContact CE2-CD2 4.37Å; F200-L204 HydrophobicContact CG-CD2 3.71Å |
| 201 | G | 75.3 | Confident | 80.3 | Confident | 19 Ų | 19 | 42.3 Ų | 42.3 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | trans | 85.5 | -167.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L197 E203 L204 Y205 | L197-G201 PolarHBondContact O-N 3.08Å; L197-G201 VanDerWaalsContact O-N 3.14Å; G201-E203 VanDerWaalsContact C-N 3.26Å; G201-E203 PolarHBondContact O-N 3.42Å; G201-L204 PolarHBondContact O-N 3.19Å; G201-Y205 PolarHBondContact O-N 2.79Å | ||
| 202 | D | 70.9 | Confident | 80.2 | Confident | 47 Ų | 47 | 37.7 Ų | 37.7 | 25% | 0.251 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.2 | -21.9 | -167 | -61.4 | -59.5 | 0 | 0 | 0 | 114.2 | Y205 N206 | D202-Y205 PolarHBondContact O-N 3.11Å; D202-N206 VanDerWaalsContact O-CG 3.27Å; D202-N206 PolarHBondContact O-N 3.12Å; D202-N206 PolarHBondContact O-ND2 2.88Å |
| 203 | E | 69 | Low | 80 | Confident | 80 Ų | 80 | 41.4 Ų | 41.4 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.3 | -46.2 | 174.7 | -63.8 | -172.8 | 115.8 | 0 | 0 | 111.9 | K162 G201 Y205 N206 F207 | K162-E203 WeakPolarHBondContact CE-OE1 3.38Å; K162-E203 IonicContact NZ-OE1 3.64Å; K162-E203 PolarHBondContact NZ-OE1 3.07Å; G201-E203 VanDerWaalsContact C-N 3.26Å; G201-E203 PolarHBondContact O-N 3.42Å; E203-Y205 VanDerWaalsContact C-N 3.34Å; E203-N206 PolarHBondContact O-N 2.9Å; E203-F207 PolarHBondContact O-N 3.44Å |
| 204 | L | 73.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 172 | 172.6 | 72.5 | 0 | 0 | 0 | 110.8 | A165 F172 L197 F200 G201 N206 F207 L208 | A165-L204 HydrophobicContact CB-CB 4.06Å; A165-L204 HydrophobicContact CB-CD1 3.62Å; A165-L204 HydrophobicContact CB-CG 4.41Å; F172-L204 HydrophobicContact CD2-CD2 4.33Å; F172-L204 HydrophobicContact CE1-CD2 4.33Å; F172-L204 HydrophobicContact CE2-CD1 4.49Å; F172-L204 HydrophobicContact CE2-CD2 3.48Å; F172-L204 VanDerWaalsContact CE2-CD2 3.48Å; F172-L204 HydrophobicContact CZ-CD2 3.47Å; F172-L204 VanDerWaalsContact CZ-CD2 3.47Å; L197-L204 HydrophobicContact CD1-CD2 3.82Å; L197-L204 HydrophobicContact CD1-CG 4.11Å; F200-L204 HydrophobicContact CB-CB 3.66Å; F200-L204 HydrophobicContact CB-CD2 3.54Å; F200-L204 HydrophobicContact CB-CG 4.2Å; F200-L204 HydrophobicContact CD2-CD2 3.45Å; F200-L204 VanDerWaalsContact CD2-CD2 3.45Å; F200-L204 HydrophobicContact CE2-CD2 4.37Å; F200-L204 HydrophobicContact CG-CD2 3.71Å; G201-L204 PolarHBondContact O-N 3.19Å; L204-N206 VanDerWaalsContact C-N 3.32Å; L204-N206 PolarHBondContact O-N 3.24Å; L204-F207 HydrophobicContact CD1-CD1 4.36Å; L204-F207 PolarHBondContact O-N 3.35Å; L204-L208 HydrophobicContact CD1-CD1 3.81Å; L204-L208 HydrophobicContact CD1-CD2 4.11Å; L204-L208 HydrophobicContact CD1-CG 3.63Å; L204-L208 HydrophobicContact CD2-CD1 4.05Å; L204-L208 HydrophobicContact CG-CD1 3.73Å; L204-L208 HydrophobicContact CG-CG 3.95Å; L204-L208 WeakPolarHBondContact O-CB 3.24Å; L204-L208 WeakPolarHBondContact O-CG 3.36Å; L204-L208 PolarHBondContact O-N 3.23Å |
| 205 | Y | 79.2 | Confident | 79 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 9% | 0.09 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.2 | -45 | 179.3 | 170.3 | -118.1 | 0 | 0 | 0 | 111.5 | L197 G201 D202 E203 R209 F229 S233 S237 | L197-Y205 HydrophobicContact CD2-CD2 4.43Å; G201-Y205 PolarHBondContact O-N 2.79Å; D202-Y205 PolarHBondContact O-N 3.11Å; E203-Y205 VanDerWaalsContact C-N 3.34Å; Y205-R209 HydrophobicContact CE2-CB 4.37Å; Y205-R209 WeakPolarHBondContact O-CB 3.42Å; Y205-R209 PolarHBondContact O-N 2.96Å; Y205-F229 HydrophobicContact CD2-CE1 4.22Å; Y205-F229 AromaticContact CD2-CZ 3.71Å; Y205-F229 HydrophobicContact CD2-CZ 3.71Å; Y205-F229 AromaticContact CE2-CE1 3.69Å; Y205-F229 HydrophobicContact CE2-CE1 3.69Å; Y205-F229 AromaticContact CE2-CZ 3.68Å; Y205-F229 HydrophobicContact CE2-CZ 3.68Å; Y205-S233 WeakPolarHBondContact CE2-OG 3.29Å; Y205-S237 WeakPolarHBondContact CE1-OG 3.44Å |
| 206 | N | 78.3 | Confident | 79 | Confident | 82 Ų | 82 | 46.4 Ų | 46.4 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64 | -46 | 176.1 | -67.8 | -29.8 | 0 | 0 | 0 | 111.6 | D202 E203 L204 R209 D210 | D202-N206 VanDerWaalsContact O-CG 3.27Å; D202-N206 PolarHBondContact O-N 3.12Å; D202-N206 PolarHBondContact O-ND2 2.88Å; E203-N206 PolarHBondContact O-N 2.9Å; L204-N206 VanDerWaalsContact C-N 3.32Å; L204-N206 PolarHBondContact O-N 3.24Å; N206-R209 PolarHBondContact O-N 3.25Å; N206-D210 PolarHBondContact O-N 3.37Å |
| 207 | F | 81 | Confident | 78.7 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 31% | 0.307 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.4 | -53.2 | 176.2 | 172.8 | -99.7 | 0 | 0 | 0 | 112.8 | C166 E169 E203 L204 R209 D210 T211 | C166-F207 HydrophobicContact CB-CE1 4.45Å; C166-F207 HydrophobicContact CB-CZ 4.16Å; C166-F207 VanDerWaalsContact SG-CZ 3.53Å; E169-F207 HydrophobicContact CB-CE1 4.42Å; E169-F207 HydrophobicContact CG-CE1 4.39Å; E203-F207 PolarHBondContact O-N 3.44Å; L204-F207 HydrophobicContact CD1-CD1 4.36Å; L204-F207 PolarHBondContact O-N 3.35Å; F207-R209 PolarHBondContact O-N 2.79Å; F207-D210 PolarHBondContact O-N 3.13Å; F207-T211 VanDerWaalsContact O-CB 3.24Å; F207-T211 WeakPolarHBondContact O-CB 3.36Å; F207-T211 PolarHBondContact O-N 2.83Å; F207-T211 PolarHBondContact O-OG1 2.86Å |
| 208 | L | 80.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 178.2 | -70.2 | 178.2 | 0 | 0 | 0 | 111.1 | E169 F172 L197 L204 D210 W212 F229 | E169-L208 HydrophobicContact CB-CD2 4.08Å; E169-L208 HydrophobicContact CG-CD2 3.53Å; F172-L208 HydrophobicContact CB-CD1 4.17Å; F172-L208 HydrophobicContact CD1-CD1 4.18Å; F172-L208 HydrophobicContact CD2-CD1 3.98Å; F172-L208 HydrophobicContact CE2-CD1 4.47Å; F172-L208 HydrophobicContact CG-CD1 3.83Å; L197-L208 HydrophobicContact CD1-CD1 4.18Å; L204-L208 HydrophobicContact CD1-CD1 3.81Å; L204-L208 HydrophobicContact CD1-CD2 4.11Å; L204-L208 HydrophobicContact CD1-CG 3.63Å; L204-L208 HydrophobicContact CD2-CD1 4.05Å; L204-L208 HydrophobicContact CG-CD1 3.73Å; L204-L208 HydrophobicContact CG-CG 3.95Å; L204-L208 WeakPolarHBondContact O-CB 3.24Å; L204-L208 WeakPolarHBondContact O-CG 3.36Å; L204-L208 PolarHBondContact O-N 3.23Å; L208-D210 VanDerWaalsContact C-N 3.29Å; L208-D210 PolarHBondContact O-N 3.4Å; L208-W212 WeakPolarHBondContact O-CB 3.18Å; L208-W212 VanDerWaalsContact O-CG 3.31Å; L208-W212 PolarHBondContact O-N 3.01Å; L208-F229 HydrophobicContact CB-CE2 3.63Å; L208-F229 HydrophobicContact CB-CZ 3.86Å; L208-F229 HydrophobicContact CD1-CE2 4.12Å |
| 209 | R | 82.3 | Confident | 78.3 | Confident | 73 Ų | 73 | 52.4 Ų | 52.4 | 28% | 0.275 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.5 | -43.3 | 180 | 173.5 | -173.7 | 177.7 | -91.1 | 21 | 112 | Y205 N206 F207 K213 F229 | Y205-R209 HydrophobicContact CE2-CB 4.37Å; Y205-R209 WeakPolarHBondContact O-CB 3.42Å; Y205-R209 PolarHBondContact O-N 2.96Å; N206-R209 PolarHBondContact O-N 3.25Å; F207-R209 PolarHBondContact O-N 2.79Å; R209-K213 VanDerWaalsContact CZ-NZ 3.27Å; R209-K213 VanDerWaalsContact NH1-NZ 3.16Å; R209-K213 WeakPolarHBondContact O-CB 3.42Å; R209-K213 WeakPolarHBondContact O-CD 3.42Å; R209-K213 WeakPolarHBondContact O-CG 3.2Å; R209-K213 PolarHBondContact O-N 3.17Å; R209-F229 HydrophobicContact CB-CE1 3.87Å; R209-F229 HydrophobicContact CB-CZ 4Å; R209-F229 HydrophobicContact CG-CE1 4.42Å |
| 210 | D | 81.4 | Confident | 78.1 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 40% | 0.401 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -86.1 | -36.8 | -174 | -65.2 | -17.5 | 0 | 0 | 0 | 111.1 | N206 F207 L208 W212 K213 C214 | N206-D210 PolarHBondContact O-N 3.37Å; F207-D210 PolarHBondContact O-N 3.13Å; L208-D210 VanDerWaalsContact C-N 3.29Å; L208-D210 PolarHBondContact O-N 3.4Å; D210-W212 PolarHBondContact O-N 2.87Å; D210-K213 PolarHBondContact O-N 2.96Å; D210-K213 IonicContact OD1-NZ 2.93Å; D210-C214 PolarHBondContact O-N 3.31Å; D210-C214 PolarHBondContact O-SG 3.29Å; D210-C214 VanDerWaalsContact O-SG 3.35Å |
| 211 | T | 80.2 | Confident | 78.4 | Confident | 36 Ų | 36 | 57.6 Ų | 57.6 | 22% | 0.221 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 172.2 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | F207 C214 R215 | F207-T211 VanDerWaalsContact O-CB 3.24Å; F207-T211 WeakPolarHBondContact O-CB 3.36Å; F207-T211 PolarHBondContact O-N 2.83Å; F207-T211 PolarHBondContact O-OG1 2.86Å; T211-C214 PolarHBondContact O-N 3.1Å; T211-R215 WeakPolarHBondContact O-CG 3.28Å; T211-R215 PolarHBondContact O-N 2.87Å |
| 212 | W | 84.9 | Confident | 78.6 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -74.3 | -26.8 | 179 | -74.5 | 23.9 | 0 | 0 | 0 | 112.5 | E169 F172 F173 I176 L208 D210 N216 L221 L226 F229 | E169-W212 PolarHBondContact OE1-NE1 3.3Å; F172-W212 HydrophobicContact CB-CZ2 4.21Å; F173-W212 HydrophobicContact CB-CH2 4.4Å; F173-W212 HydrophobicContact CB-CZ2 3.91Å; I176-W212 HydrophobicContact CD1-CH2 3.93Å; I176-W212 HydrophobicContact CD1-CZ3 3.75Å; L208-W212 WeakPolarHBondContact O-CB 3.18Å; L208-W212 VanDerWaalsContact O-CG 3.31Å; L208-W212 PolarHBondContact O-N 3.01Å; D210-W212 PolarHBondContact O-N 2.87Å; W212-N216 VanDerWaalsContact O-CB 3.31Å; W212-N216 WeakPolarHBondContact O-CB 3.29Å; W212-N216 PolarHBondContact O-N 2.68Å; W212-L221 HydrophobicContact CB-CD2 3.69Å; W212-L221 HydrophobicContact CD2-CD2 3.96Å; W212-L221 HydrophobicContact CE3-CD2 3.86Å; W212-L221 HydrophobicContact CG-CD2 3.93Å; W212-L221 WeakPolarHBondContact O-CD2 3.44Å; W212-L226 HydrophobicContact CB-CD1 4.02Å; W212-F229 HydrophobicContact CD2-CD2 4.38Å; W212-F229 HydrophobicContact CE3-CB 3.83Å; W212-F229 AromaticContact CE3-CD2 3.8Å; W212-F229 HydrophobicContact CE3-CD2 3.8Å; W212-F229 AromaticContact CE3-CG 3.94Å; W212-F229 HydrophobicContact CE3-CG 3.94Å; W212-F229 HydrophobicContact CZ3-CB 3.81Å; W212-F229 AromaticContact CZ3-CD2 3.9Å; W212-F229 HydrophobicContact CZ3-CD2 3.9Å; W212-F229 HydrophobicContact CZ3-CG 4.19Å |
| 213 | K | 82.3 | Confident | 79.1 | Confident | 81 Ų | 81 | 60.8 Ų | 60.8 | 35% | 0.352 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 168.1 | -82.3 | 170.5 | 174.7 | -174.2 | 0 | 112 | R209 D210 N216 A217 L226 | R209-K213 VanDerWaalsContact CZ-NZ 3.27Å; R209-K213 VanDerWaalsContact NH1-NZ 3.16Å; R209-K213 WeakPolarHBondContact O-CB 3.42Å; R209-K213 WeakPolarHBondContact O-CD 3.42Å; R209-K213 WeakPolarHBondContact O-CG 3.2Å; R209-K213 PolarHBondContact O-N 3.17Å; D210-K213 PolarHBondContact O-N 2.96Å; D210-K213 IonicContact OD1-NZ 2.93Å; K213-N216 PolarHBondContact O-N 3.03Å; K213-A217 PolarHBondContact O-N 2.98Å; K213-L226 HydrophobicContact CG-CD1 4.37Å |
| 214 | C | 77.6 | Confident | 79.8 | Confident | 75 Ų | 75 | 61.3 Ų | 61.3 | 51% | 0.507 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.5 | -54.4 | 173.7 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | D210 T211 N216 A217 D218 | D210-C214 PolarHBondContact O-N 3.31Å; D210-C214 PolarHBondContact O-SG 3.29Å; D210-C214 VanDerWaalsContact O-SG 3.35Å; T211-C214 PolarHBondContact O-N 3.1Å; C214-N216 PolarHBondContact O-N 3.37Å; C214-N216 VanDerWaalsContact O-N 3.1Å; C214-A217 CarbonylContact O-C 3.59Å; C214-A217 WeakPolarHBondContact O-CA 3.39Å; C214-A217 WeakPolarHBondContact O-CB 3.46Å; C214-A217 PolarHBondContact O-N 3.5Å; C214-D218 PolarHBondContact O-N 2.97Å |
| 215 | R | 79.9 | Confident | 80.3 | Confident | 88 Ų | 88 | 62.1 Ų | 62.1 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.6 | -28.1 | 179 | -68 | -173.4 | -172.9 | 167.3 | 9.7 | 114.5 | E169 T211 G219 M220 L221 | E169-R215 IonicContact OE1-CZ 2.76Å; E169-R215 IonicContact OE1-NH1 3.1Å; E169-R215 PolarHBondContact OE1-NH1 3.11Å; E169-R215 IonicContact OE1-NH2 2.98Å; E169-R215 IonicContact OE2-CZ 3.35Å; E169-R215 IonicContact OE2-NH1 3.62Å; E169-R215 PolarHBondContact OE2-NH1 3.27Å; E169-R215 IonicContact OE2-NH2 2.75Å; E169-R215 PolarHBondContact OE2-NH2 3.27Å; T211-R215 WeakPolarHBondContact O-CG 3.28Å; T211-R215 PolarHBondContact O-N 2.87Å; R215-G219 PolarHBondContact O-N 2.98Å; R215-M220 HydrophobicContact CB-CB 4.17Å; R215-M220 HydrophobicContact CG-CB 4.49Å; R215-M220 CarbonylContact O-C 3.47Å; R215-M220 WeakPolarHBondContact O-CA 3.48Å; R215-M220 PolarHBondContact O-N 3Å; R215-L221 HydrophobicContact CB-CB 3.91Å; R215-L221 PolarHBondContact O-N 3.13Å |
| 216 | N | 83.1 | Confident | 80.6 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.9 | -33 | 174 | -158.4 | 93.1 | 0 | 0 | 0 | 112 | W212 K213 C214 L221 S222 D223 L226 | W212-N216 VanDerWaalsContact O-CB 3.31Å; W212-N216 WeakPolarHBondContact O-CB 3.29Å; W212-N216 PolarHBondContact O-N 2.68Å; K213-N216 PolarHBondContact O-N 3.03Å; C214-N216 PolarHBondContact O-N 3.37Å; C214-N216 VanDerWaalsContact O-N 3.1Å; N216-L221 HydrophobicContact CB-CB 4.36Å; N216-L221 PolarHBondContact OD1-O 3.49Å; N216-S222 PolarHBondContact OD1-O 2.94Å; N216-D223 PolarHBondContact ND2-OD1 3.35Å; N216-D223 WeakPolarHBondContact OD1-CA 3.45Å; N216-D223 PolarHBondContact OD1-N 3.08Å; N216-L226 HydrophobicContact CB-CD2 4.1Å |
| 217 | A | 77.5 | Confident | 80.9 | Confident | 88 Ų | 88 | 64.4 Ų | 64.4 | 73% | 0.727 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -72.6 | -36.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K213 C214 G219 | K213-A217 PolarHBondContact O-N 2.98Å; C214-A217 CarbonylContact O-C 3.59Å; C214-A217 WeakPolarHBondContact O-CA 3.39Å; C214-A217 WeakPolarHBondContact O-CB 3.46Å; C214-A217 PolarHBondContact O-N 3.5Å; A217-G219 PolarHBondContact O-N 3.42Å |
| 218 | D | 77.7 | Confident | 81 | Confident | 111 Ų | 111 | 62.5 Ų | 62.5 | 59% | 0.594 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -4.1 | 174.8 | -54.7 | -37.8 | 0 | 0 | 0 | 113.1 | C214 M220 | C214-D218 PolarHBondContact O-N 2.97Å; D218-M220 HydrophobicContact CB-CB 4.45Å; D218-M220 HydrophobicContact CB-CG 4.05Å; D218-M220 PolarHBondContact O-N 2.8Å; D218-M220 VanDerWaalsContact O-N 3.15Å |
| 219 | G | 78.2 | Confident | 81.3 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 65% | 0.649 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | -1.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | R215 A217 L221 | R215-G219 PolarHBondContact O-N 2.98Å; A217-G219 PolarHBondContact O-N 3.42Å; G219-L221 VanDerWaalsContact C-N 3.29Å; G219-L221 PolarHBondContact O-N 2.84Å |
| 220 | M | 72.2 | Confident | 81.4 | Confident | 153 Ų | 153 | 61.6 Ų | 61.6 | 75% | 0.754 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -72.3 | -19.2 | 179.1 | -68.2 | -68.4 | -70.9 | 0 | 0 | 113.5 | R215 D218 | R215-M220 HydrophobicContact CB-CB 4.17Å; R215-M220 HydrophobicContact CG-CB 4.49Å; R215-M220 CarbonylContact O-C 3.47Å; R215-M220 WeakPolarHBondContact O-CA 3.48Å; R215-M220 PolarHBondContact O-N 3Å; D218-M220 HydrophobicContact CB-CB 4.45Å; D218-M220 HydrophobicContact CB-CG 4.05Å; D218-M220 PolarHBondContact O-N 2.8Å; D218-M220 VanDerWaalsContact O-N 3.15Å |
| 221 | L | 80 | Confident | 81.5 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -124.3 | 137 | 176.3 | -171.2 | 67.9 | 0 | 0 | 0 | 109.5 | F173 W212 R215 N216 G219 H225 | F173-L221 HydrophobicContact CD2-CD1 3.94Å; F173-L221 HydrophobicContact CE2-CD1 3.63Å; W212-L221 HydrophobicContact CB-CD2 3.69Å; W212-L221 HydrophobicContact CD2-CD2 3.96Å; W212-L221 HydrophobicContact CE3-CD2 3.86Å; W212-L221 HydrophobicContact CG-CD2 3.93Å; W212-L221 WeakPolarHBondContact O-CD2 3.44Å; R215-L221 HydrophobicContact CB-CB 3.91Å; R215-L221 PolarHBondContact O-N 3.13Å; N216-L221 HydrophobicContact CB-CB 4.36Å; N216-L221 PolarHBondContact OD1-O 3.49Å; G219-L221 VanDerWaalsContact C-N 3.29Å; G219-L221 PolarHBondContact O-N 2.84Å; L221-H225 HydrophobicContact CD1-CB 3.5Å; L221-H225 VanDerWaalsContact CD1-CB 3.5Å; L221-H225 HydrophobicContact CD2-CB 4.27Å; L221-H225 HydrophobicContact CG-CB 3.84Å |
| 222 | S | 81.1 | Confident | 81.6 | Confident | 56 Ų | 56 | 64.5 Ų | 64.5 | 39% | 0.392 | 35% | 0.349 | S | S | . | . | trans | -79.7 | 146.6 | 174.7 | 75.5 | 0 | 0 | 0 | 0 | 111.6 | N216 V224 H225 L226 | N216-S222 PolarHBondContact OD1-O 2.94Å; S222-V224 PolarHBondContact O-N 3.09Å; S222-H225 WeakPolarHBondContact O-CB 3.44Å; S222-H225 PolarHBondContact O-N 3.27Å; S222-H225 PolarHBondContact OG-ND1 2.97Å; S222-L226 PolarHBondContact O-N 2.8Å | ||
| 223 | D | 80.6 | Confident | 81.3 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -49 | -32.2 | 174 | -130.9 | 44.3 | 0 | 0 | 0 | 114.8 | N216 L226 K227 | N216-D223 PolarHBondContact ND2-OD1 3.35Å; N216-D223 WeakPolarHBondContact OD1-CA 3.45Å; N216-D223 PolarHBondContact OD1-N 3.08Å; D223-L226 PolarHBondContact O-N 3.3Å; D223-K227 VanDerWaalsContact O-CB 3.28Å; D223-K227 WeakPolarHBondContact O-CB 3.19Å; D223-K227 WeakPolarHBondContact O-CD 3.38Å; D223-K227 VanDerWaalsContact O-CG 3.26Å; D223-K227 WeakPolarHBondContact O-CG 3.45Å; D223-K227 PolarHBondContact O-N 3.28Å; D223-K227 VanDerWaalsContact OD2-CE 3.23Å; D223-K227 WeakPolarHBondContact OD2-CE 3.37Å; D223-K227 IonicContact OD2-NZ 2.78Å; D223-K227 PolarHBondContact OD2-NZ 3.44Å |
| 224 | V | 82.9 | Confident | 80.5 | Confident | 91 Ų | 91 | 66 Ų | 66 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.2 | -38.8 | 176.6 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | I180 S222 L228 | I180-V224 HydrophobicContact CD1-CG1 4.12Å; S222-V224 PolarHBondContact O-N 3.09Å; V224-L228 WeakPolarHBondContact O-CB 3.37Å; V224-L228 PolarHBondContact O-N 3.46Å |
| 225 | H | 86.2 | Confident | 79.6 | Confident | 19 Ų | 19 | 64.8 Ų | 64.8 | 9% | 0.088 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 177.8 | -75.6 | 68.5 | 0 | 0 | 0 | 110.6 | F173 I176 L221 S222 L228 F229 | F173-H225 AromaticContact CE2-CD2 3.88Å; F173-H225 AromaticContact CE2-NE2 3.94Å; I176-H225 HydrophobicContact CG2-CB 4.22Å; I176-H225 VanDerWaalsContact CG2-CD2 3.4Å; I176-H225 WeakPolarHBondContact CG2-CD2 3.48Å; L221-H225 HydrophobicContact CD1-CB 3.5Å; L221-H225 VanDerWaalsContact CD1-CB 3.5Å; L221-H225 HydrophobicContact CD2-CB 4.27Å; L221-H225 HydrophobicContact CG-CB 3.84Å; S222-H225 WeakPolarHBondContact O-CB 3.44Å; S222-H225 PolarHBondContact O-N 3.27Å; S222-H225 PolarHBondContact OG-ND1 2.97Å; H225-L228 PolarHBondContact O-N 3.06Å; H225-F229 WeakPolarHBondContact O-CB 3.39Å; H225-F229 PolarHBondContact O-N 2.94Å |
| 226 | L | 84.4 | Confident | 78.4 | Confident | 23 Ų | 23 | 61.2 Ų | 61.2 | 12% | 0.12 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 178.1 | -166.8 | 72.8 | 0 | 0 | 0 | 111.7 | W212 K213 N216 S222 D223 L228 F229 H230 | W212-L226 HydrophobicContact CB-CD1 4.02Å; K213-L226 HydrophobicContact CG-CD1 4.37Å; N216-L226 HydrophobicContact CB-CD2 4.1Å; S222-L226 PolarHBondContact O-N 2.8Å; D223-L226 PolarHBondContact O-N 3.3Å; L226-L228 VanDerWaalsContact C-N 3.31Å; L226-L228 PolarHBondContact O-N 3.15Å; L226-F229 PolarHBondContact O-N 2.94Å; L226-H230 PolarHBondContact O-CD2 2.78Å; L226-H230 PolarHBondContact O-N 3.48Å |
| 227 | K | 84 | Confident | 76.7 | Confident | 130 Ų | 130 | 62.6 Ų | 62.6 | 57% | 0.565 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63 | -34 | 174.1 | -76 | 164.7 | 173.6 | 163.7 | 0 | 112.3 | D223 R231 | D223-K227 VanDerWaalsContact O-CB 3.28Å; D223-K227 WeakPolarHBondContact O-CB 3.19Å; D223-K227 WeakPolarHBondContact O-CD 3.38Å; D223-K227 VanDerWaalsContact O-CG 3.26Å; D223-K227 WeakPolarHBondContact O-CG 3.45Å; D223-K227 PolarHBondContact O-N 3.28Å; D223-K227 VanDerWaalsContact OD2-CE 3.23Å; D223-K227 WeakPolarHBondContact OD2-CE 3.37Å; D223-K227 IonicContact OD2-NZ 2.78Å; D223-K227 PolarHBondContact OD2-NZ 3.44Å; K227-R231 WeakPolarHBondContact O-CB 3.36Å; K227-R231 PolarHBondContact O-N 3.19Å |
| 228 | L | 84.7 | Confident | 74.7 | Confident | 30 Ų | 30 | 65.7 Ų | 65.7 | 16% | 0.157 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -77.4 | -40.5 | 175.9 | -163 | 72 | 0 | 0 | 0 | 112.5 | I176 F179 V224 H225 L226 R231 W232 | I176-L228 HydrophobicContact CB-CD2 4.44Å; I176-L228 HydrophobicContact CD1-CD2 4.47Å; I176-L228 HydrophobicContact CG1-CD2 4.1Å; I176-L228 HydrophobicContact CG2-CD2 3.92Å; F179-L228 HydrophobicContact CD1-CD1 4.49Å; F179-L228 HydrophobicContact CD1-CD2 3.59Å; F179-L228 HydrophobicContact CE1-CD1 4.11Å; F179-L228 HydrophobicContact CE1-CD2 4.05Å; F179-L228 HydrophobicContact CG-CD2 4.41Å; V224-L228 WeakPolarHBondContact O-CB 3.37Å; V224-L228 PolarHBondContact O-N 3.46Å; H225-L228 PolarHBondContact O-N 3.06Å; L226-L228 VanDerWaalsContact C-N 3.31Å; L226-L228 PolarHBondContact O-N 3.15Å; L228-R231 PolarHBondContact O-N 3.4Å; L228-W232 HydrophobicContact CD1-CZ2 4.12Å; L228-W232 VanDerWaalsContact CD1-NE1 3.34Å; L228-W232 HydrophobicContact CD2-CH2 3.99Å; L228-W232 HydrophobicContact CD2-CZ2 3.64Å; L228-W232 HydrophobicContact CG-CD2 4.16Å; L228-W232 HydrophobicContact CG-CG 4.48Å; L228-W232 HydrophobicContact CG-CZ2 3.95Å; L228-W232 WeakPolarHBondContact O-CB 3.42Å; L228-W232 VanDerWaalsContact O-CD1 3.29Å; L228-W232 PolarHBondContact O-N 2.84Å |
| 229 | F | 86.5 | Confident | 72.5 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -51.7 | -56.3 | 172.6 | 171 | -92.8 | 0 | 0 | 0 | 110.5 | I176 F193 Y205 L208 R209 W212 H225 L226 R231 W232 S233 | I176-F229 HydrophobicContact CD1-CB 4.25Å; F193-F229 AromaticContact CZ-CD2 3.82Å; F193-F229 HydrophobicContact CZ-CD2 3.82Å; F193-F229 HydrophobicContact CZ-CE2 4.31Å; Y205-F229 HydrophobicContact CD2-CE1 4.22Å; Y205-F229 AromaticContact CD2-CZ 3.71Å; Y205-F229 HydrophobicContact CD2-CZ 3.71Å; Y205-F229 AromaticContact CE2-CE1 3.69Å; Y205-F229 HydrophobicContact CE2-CE1 3.69Å; Y205-F229 AromaticContact CE2-CZ 3.68Å; Y205-F229 HydrophobicContact CE2-CZ 3.68Å; L208-F229 HydrophobicContact CB-CE2 3.63Å; L208-F229 HydrophobicContact CB-CZ 3.86Å; L208-F229 HydrophobicContact CD1-CE2 4.12Å; R209-F229 HydrophobicContact CB-CE1 3.87Å; R209-F229 HydrophobicContact CB-CZ 4Å; R209-F229 HydrophobicContact CG-CE1 4.42Å; W212-F229 HydrophobicContact CD2-CD2 4.38Å; W212-F229 HydrophobicContact CE3-CB 3.83Å; W212-F229 AromaticContact CE3-CD2 3.8Å; W212-F229 HydrophobicContact CE3-CD2 3.8Å; W212-F229 AromaticContact CE3-CG 3.94Å; W212-F229 HydrophobicContact CE3-CG 3.94Å; W212-F229 HydrophobicContact CZ3-CB 3.81Å; W212-F229 AromaticContact CZ3-CD2 3.9Å; W212-F229 HydrophobicContact CZ3-CD2 3.9Å; W212-F229 HydrophobicContact CZ3-CG 4.19Å; H225-F229 WeakPolarHBondContact O-CB 3.39Å; H225-F229 PolarHBondContact O-N 2.94Å; L226-F229 PolarHBondContact O-N 2.94Å; F229-R231 PolarHBondContact O-N 2.93Å; F229-W232 CarbonylContact O-C 3.6Å; F229-W232 PolarHBondContact O-N 2.73Å; F229-S233 PolarHBondContact O-N 2.76Å; F229-S233 PolarHBondContact O-OG 2.93Å |
| 230 | H | 84.2 | Confident | 70 | Confident | 53 Ų | 53 | 66.6 Ų | 66.6 | 25% | 0.245 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.1 | -50.5 | 177.7 | -72.8 | -45.8 | 0 | 0 | 0 | 111.7 | L226 W232 S233 D234 | L226-H230 PolarHBondContact O-CD2 2.78Å; L226-H230 PolarHBondContact O-N 3.48Å; H230-W232 PolarHBondContact O-N 3.43Å; H230-S233 WeakPolarHBondContact CA-OG 3.3Å; H230-S233 PolarHBondContact O-N 2.83Å; H230-S233 VanDerWaalsContact O-N 3.11Å; H230-S233 PolarHBondContact O-OG 3.26Å; H230-D234 WeakPolarHBondContact O-CB 3.34Å; H230-D234 PolarHBondContact O-N 3.39Å; H230-D234 VanDerWaalsContact O-OD2 3.11Å |
| 231 | R | 82.4 | Confident | 67.8 | Low | 160 Ų | 160 | 66 Ų | 66 | 60% | 0.604 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.6 | -9.9 | 178 | -154.6 | 84.7 | 76.4 | 149.7 | 4.5 | 114.5 | K190 K227 L228 F229 | K190-R231 PolarHBondContact NZ-O 3.18Å; K227-R231 WeakPolarHBondContact O-CB 3.36Å; K227-R231 PolarHBondContact O-N 3.19Å; L228-R231 PolarHBondContact O-N 3.4Å; F229-R231 PolarHBondContact O-N 2.93Å |
| 232 | W | 83.2 | Confident | 65.2 | Low | 13 Ų | 13 | 68.2 Ų | 68.2 | 5% | 0.049 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -109.8 | -26.1 | 178.2 | -72.3 | 22.2 | 0 | 0 | 0 | 112.6 | I176 F179 K190 F193 L228 F229 H230 | I176-W232 HydrophobicContact CD1-CE3 4.36Å; I176-W232 HydrophobicContact CG1-CE3 4.06Å; I176-W232 HydrophobicContact CG1-CH2 4.41Å; I176-W232 HydrophobicContact CG1-CZ3 3.76Å; F179-W232 HydrophobicContact CB-CH2 3.72Å; F179-W232 HydrophobicContact CB-CZ2 4.26Å; F179-W232 HydrophobicContact CD1-CH2 4.03Å; F179-W232 AromaticContact CD1-CZ2 3.69Å; F179-W232 HydrophobicContact CD1-CZ2 3.69Å; F179-W232 AromaticContact CD2-CH2 3.76Å; F179-W232 HydrophobicContact CD2-CH2 3.76Å; F179-W232 AromaticContact CD2-CZ2 3.68Å; F179-W232 HydrophobicContact CD2-CZ2 3.68Å; F179-W232 AromaticContact CE1-CZ2 3.83Å; F179-W232 HydrophobicContact CE1-CZ2 3.83Å; F179-W232 HydrophobicContact CE2-CH2 4.35Å; F179-W232 AromaticContact CE2-CZ2 3.82Å; F179-W232 HydrophobicContact CE2-CZ2 3.82Å; F179-W232 AromaticContact CG-CH2 3.56Å; F179-W232 HydrophobicContact CG-CH2 3.56Å; F179-W232 AromaticContact CG-CZ2 3.6Å; F179-W232 HydrophobicContact CG-CZ2 3.6Å; F179-W232 AromaticContact CZ-CZ2 3.89Å; F179-W232 HydrophobicContact CZ-CZ2 3.89Å; K190-W232 HydrophobicContact CB-CD2 4.2Å; K190-W232 HydrophobicContact CB-CE3 4.33Å; K190-W232 HydrophobicContact CB-CH2 3.76Å; K190-W232 HydrophobicContact CB-CZ2 3.62Å; K190-W232 HydrophobicContact CB-CZ3 4.13Å; K190-W232 HydrophobicContact CD-CD2 4.05Å; K190-W232 HydrophobicContact CD-CG 4.12Å; K190-W232 HydrophobicContact CD-CZ2 4.19Å; K190-W232 VanDerWaalsContact CE-CD1 3.47Å; K190-W232 HydrophobicContact CG-CD2 3.75Å; K190-W232 HydrophobicContact CG-CE3 4.18Å; K190-W232 HydrophobicContact CG-CG 4.16Å; K190-W232 HydrophobicContact CG-CH2 4.39Å; K190-W232 HydrophobicContact CG-CZ2 4Å; K190-W232 HydrophobicContact CG-CZ3 4.49Å; F193-W232 HydrophobicContact CB-CE3 3.71Å; F193-W232 HydrophobicContact CB-CZ3 3.77Å; F193-W232 HydrophobicContact CD1-CB 4.01Å; F193-W232 HydrophobicContact CD1-CD2 4.47Å; F193-W232 AromaticContact CD1-CE3 3.64Å; F193-W232 HydrophobicContact CD1-CE3 3.64Å; F193-W232 AromaticContact CD2-CE3 3.94Å; F193-W232 HydrophobicContact CD2-CE3 3.94Å; F193-W232 HydrophobicContact CD2-CZ3 4.17Å; F193-W232 HydrophobicContact CE1-CB 3.83Å; F193-W232 HydrophobicContact CE1-CE3 4.21Å; F193-W232 HydrophobicContact CE2-CE3 4.47Å; F193-W232 AromaticContact CG-CE3 3.5Å; F193-W232 HydrophobicContact CG-CE3 3.5Å; F193-W232 AromaticContact CG-CZ3 3.93Å; F193-W232 HydrophobicContact CG-CZ3 3.93Å; L228-W232 HydrophobicContact CD1-CZ2 4.12Å; L228-W232 VanDerWaalsContact CD1-NE1 3.34Å; L228-W232 HydrophobicContact CD2-CH2 3.99Å; L228-W232 HydrophobicContact CD2-CZ2 3.64Å; L228-W232 HydrophobicContact CG-CD2 4.16Å; L228-W232 HydrophobicContact CG-CG 4.48Å; L228-W232 HydrophobicContact CG-CZ2 3.95Å; L228-W232 WeakPolarHBondContact O-CB 3.42Å; L228-W232 VanDerWaalsContact O-CD1 3.29Å; L228-W232 PolarHBondContact O-N 2.84Å; F229-W232 CarbonylContact O-C 3.6Å; F229-W232 PolarHBondContact O-N 2.73Å; H230-W232 PolarHBondContact O-N 3.43Å |
| 233 | S | 79.6 | Confident | 62.5 | Low | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.007 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -79.7 | -26.8 | 167.6 | 58.3 | 0 | 0 | 0 | 0 | 113.5 | Y205 F229 H230 G235 I236 | Y205-S233 WeakPolarHBondContact CE2-OG 3.29Å; F229-S233 PolarHBondContact O-N 2.76Å; F229-S233 PolarHBondContact O-OG 2.93Å; H230-S233 WeakPolarHBondContact CA-OG 3.3Å; H230-S233 PolarHBondContact O-N 2.83Å; H230-S233 VanDerWaalsContact O-N 3.11Å; H230-S233 PolarHBondContact O-OG 3.26Å; S233-G235 PolarHBondContact O-N 2.63Å; S233-I236 PolarHBondContact O-N 3.35Å |
| 234 | D | 65.4 | Low | 59.8 | Low | 113 Ų | 113 | 78.4 Ų | 78.4 | 60% | 0.604 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 99.6 | 179.6 | -71.8 | -22.7 | 0 | 0 | 0 | 110.9 | H230 | H230-D234 WeakPolarHBondContact O-CB 3.34Å; H230-D234 PolarHBondContact O-N 3.39Å; H230-D234 VanDerWaalsContact O-OD2 3.11Å |
| 235 | G | 57.4 | Low | 56.9 | Low | 49 Ų | 49 | 84.6 Ų | 84.6 | 51% | 0.505 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 120.6 | -1.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S233 | S233-G235 PolarHBondContact O-N 2.63Š|
| 236 | I | 55.9 | Low | 53.9 | Low | 12 Ų | 12 | 95.1 Ų | 95.1 | 6% | 0.062 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -49.2 | 166.3 | -61.1 | 179.6 | 0 | 0 | 0 | 109.8 | L197 K198 S233 L238 T239 | L197-I236 HydrophobicContact CB-CD1 3.91Å; L197-I236 HydrophobicContact CD2-CD1 3.63Å; L197-I236 HydrophobicContact CG-CD1 3.64Å; K198-I236 HydrophobicContact CG-CD1 4.04Å; K198-I236 HydrophobicContact CG-CG1 4.18Å; S233-I236 PolarHBondContact O-N 3.35Å; I236-L238 PolarHBondContact O-N 3.33Å; I236-T239 PolarHBondContact O-N 3.18Å; I236-T239 PolarHBondContact O-OG1 3.22Å; I236-T239 VanDerWaalsContact O-OG1 3.11Å |
| 237 | S | 46.7 | Very low | 51 | Low | 64 Ų | 64 | 102.9 Ų | 102.9 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 13 | -179.9 | -42.6 | 0 | 0 | 0 | 0 | 116.1 | Y205 T239 | Y205-S237 WeakPolarHBondContact CE1-OG 3.44Å; S237-T239 VanDerWaalsContact C-N 3.28Å |
| 238 | L | 35.7 | Very low | 48 | Very low | 153 Ų | 153 | 106.7 Ų | 106.7 | 80% | 0.801 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 2.9 | 169.4 | -94 | 162.4 | 0 | 0 | 0 | 112.9 | I236 | I236-L238 PolarHBondContact O-N 3.33Š|
| 239 | T | 30.5 | Very low | 44.9 | Very low | 107 Ų | 107 | 110.8 Ų | 110.8 | 66% | 0.656 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -106.9 | 24 | -179.4 | 51.1 | 0 | 0 | 0 | 0 | 115.3 | I236 S237 | I236-T239 PolarHBondContact O-N 3.18Å; I236-T239 PolarHBondContact O-OG1 3.22Å; I236-T239 VanDerWaalsContact O-OG1 3.11Å; S237-T239 VanDerWaalsContact C-N 3.28Å |
| 240 | C | 27.3 | Very low | 41.9 | Very low | 85 Ų | 85 | 116.5 Ų | 116.5 | 57% | 0.574 | 61% | 0.612 | S | S | * | * | trans | -122.8 | 103.2 | 170.9 | -73.8 | 0 | 0 | 0 | 0 | 112.2 | G242 | C240-G242 PolarHBondContact O-N 3.21Š| ||
| 241 | P | 25.8 | Very low | 38.9 | Very low | 140 Ų | 140 | 123.1 Ų | 123.1 | 91% | 0.909 | 64% | 0.643 | S | S | * | * | trans | -85 | 82.6 | 173.3 | 33.9 | -32.6 | 0 | 0 | 0 | 111.2 | ||||
| 242 | G | 24.8 | Very low | 36 | Very low | 58 Ų | 58 | 123.2 Ų | 123.2 | 60% | 0.598 | 65% | 0.65 | S | S | * | * | trans | 136.7 | 108.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | C240 | C240-G242 PolarHBondContact O-N 3.21Š| ||
| 243 | N | 25.1 | Very low | 33 | Very low | 159 Ų | 159 | 127.6 Ų | 127.6 | 85% | 0.85 | 68% | 0.683 | S | S | * | * | trans | -173 | 132.6 | 131.9 | -100.4 | -16.9 | 0 | 0 | 0 | 110.9 | Y245 | N243-Y245 VanDerWaalsContact C-N 3.34Å; N243-Y245 PolarHBondContact O-N 3.36Å | ||
| 244 | E | 22.4 | Very low | 30.2 | Very low | 186 Ų | 186 | 136.3 Ų | 136.3 | 87% | 0.869 | 72% | 0.717 | S | S | * | * | trans | -86.5 | 65.3 | -173.1 | -64.9 | 172.4 | 144.5 | 0 | 0 | 111.7 | ||||
| 245 | Y | 23.2 | Very low | 28 | Very low | 222 Ų | 222 | 136 Ų | 136 | 87% | 0.871 | 72% | 0.723 | S | S | * | * | trans | -129.8 | 57.2 | -177.4 | -97.4 | -80.8 | 0 | 0 | 0 | 114.3 | N243 | N243-Y245 VanDerWaalsContact C-N 3.34Å; N243-Y245 PolarHBondContact O-N 3.36Å | ||
| 246 | R | 22.5 | Very low | 26.3 | Very low | 240 Ų | 240 | 143.9 Ų | 143.9 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | trans | -149.3 | 32.1 | 159.7 | -133 | 175.9 | -170.6 | -145.2 | -5 | 116.9 | ||||
| 247 | Q | 23.1 | Very low | 24.8 | Very low | 186 Ų | 186 | 148.9 Ų | 148.9 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -101.3 | 42.4 | 178.6 | -157.7 | 167.4 | 2.4 | 0 | 0 | 113.1 | ||||
| 248 | K | 22.2 | Very low | 23.7 | Very low | 209 Ų | 209 | 152.5 Ų | 152.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -140.9 | 57.8 | 171.1 | -75.4 | -161.2 | 174.7 | -172.6 | 0 | 111.9 | ||
| 249 | C | 19.9 | Very low | 23 | Very low | 116 Ų | 116 | 154.8 Ų | 154.8 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -159.5 | 139.4 | 159.6 | -155.9 | 0 | 0 | 0 | 0 | 109.1 | ||
| 250 | V | 23.6 | Very low | 22.7 | Very low | 121 Ų | 121 | 155.8 Ų | 155.8 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | 61.2 | 56.9 | 179.4 | -156.4 | 0 | 0 | 0 | 0 | 114.9 | H252 | V250-H252 VanDerWaalsContact C-N 3.29Š| ||
| 251 | Q | 20.6 | Very low | 22.4 | Very low | 191 Ų | 191 | 157 Ų | 157 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -87.5 | 73.8 | 140.7 | -83.5 | -175 | -75.5 | 0 | 0 | 108.3 | ||||
| 252 | H | 20.8 | Very low | 22.1 | Very low | 163 Ų | 163 | 156.7 Ų | 156.7 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -149 | 149.5 | 168.8 | -84.8 | -69 | 0 | 0 | 0 | 110.3 | V250 | V250-H252 VanDerWaalsContact C-N 3.29Š| ||
| 253 | S | 19.9 | Very low | 22 | Very low | 105 Ų | 105 | 162.6 Ų | 162.6 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 63.3 | 67.8 | 165.4 | -51.3 | 0 | 0 | 0 | 0 | 117 | ||
| 254 | Y | 20.9 | Very low | 21.9 | Very low | 184 Ų | 184 | 161.7 Ų | 161.7 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -154.5 | 72.2 | 133.5 | -97.3 | -64.5 | 0 | 0 | 0 | 109.6 | ||||
| 255 | S | 20.5 | Very low | 21.8 | Very low | 106 Ų | 106 | 163.1 Ų | 163.1 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -74.6 | 149.6 | 155.3 | 48.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 256 | Y | 20.8 | Very low | 21.8 | Very low | 215 Ų | 215 | 161.5 Ų | 161.5 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -59.3 | 138.4 | 172.1 | -114.4 | -103.5 | 0 | 0 | 0 | 110.5 | N258 | Y256-N258 PolarHBondContact O-N 2.76Š| ||
| 257 | P | 25.1 | Very low | 21.7 | Very low | 117 Ų | 117 | 156.1 Ų | 156.1 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -74.1 | 111.4 | 164.3 | 30.3 | -30 | 0 | 0 | 0 | 108.5 | ||||
| 258 | N | 22.2 | Very low | 21.7 | Very low | 140 Ų | 140 | 153.3 Ų | 153.3 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | trans | -68.8 | 161.3 | 162.4 | -81.4 | -5.1 | 0 | 0 | 0 | 110 | Y256 T260 | Y256-N258 PolarHBondContact O-N 2.76Å; N258-T260 PolarHBondContact O-N 3.3Å | ||
| 259 | E | 22.9 | Very low | 21.6 | Very low | 200 Ų | 200 | 148.4 Ų | 148.4 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -66.1 | 88.3 | -179 | -62.5 | 163.7 | 145.1 | 0 | 0 | 111.1 | ||
| 260 | T | 23.5 | Very low | 21.7 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -158.1 | 44.6 | 176.1 | -14.8 | 0 | 0 | 0 | 0 | 113.7 | N258 | N258-T260 PolarHBondContact O-N 3.3Š| ||
| 261 | C | 20.7 | Very low | 21.6 | Very low | 112 Ų | 112 | 152.2 Ų | 152.2 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | -148 | 53 | 175.4 | -137.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 262 | L | 20.5 | Very low | 21.6 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -100.6 | 14 | 175 | -104.5 | 168.9 | 0 | 0 | 0 | 114 | ||||
| 263 | Q | 22.1 | Very low | 21.7 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -128 | 30.8 | -172.6 | -70.8 | -170.4 | -24.2 | 0 | 0 | 115.2 | ||||
| 264 | I | 21.7 | Very low | 21.8 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -132.7 | 59.4 | 169.4 | -41.2 | -179.6 | 0 | 0 | 0 | 111.7 | ||||
| 265 | F | 21.6 | Very low | 22 | Very low | 216 Ų | 216 | 144.1 Ų | 144.1 | 95% | 0.947 | 79% | 0.791 | S | S | * | * | trans | -127.2 | 30.5 | 160.9 | -84.6 | -66.4 | 0 | 0 | 0 | 112.5 | ||||
| 266 | Q | 21.9 | Very low | 22.2 | Very low | 189 Ų | 189 | 145.8 Ų | 145.8 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -78 | 155.4 | 161 | -76.2 | -172.5 | -17.2 | 0 | 0 | 111 | ||
| 267 | T | 21.4 | Very low | 22.3 | Very low | 126 Ų | 126 | 146.8 Ų | 146.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -72.4 | 150.9 | -158.4 | 45.1 | 0 | 0 | 0 | 0 | 114.5 | S269 | T267-S269 PolarHBondContact O-N 3.34Š| ||
| 268 | P | 23.1 | Very low | 22.4 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -75 | 85.6 | -174.2 | 30.8 | -36.1 | 0 | 0 | 0 | 112.1 | V270 | P268-V270 PolarHBondContact O-N 3.47Š| ||
| 269 | S | 20.8 | Very low | 22.7 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -62.8 | 132.4 | 172 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | T267 K271 | T267-S269 PolarHBondContact O-N 3.34Å; S269-K271 PolarHBondContact O-N 2.83Å | ||
| 270 | V | 20.8 | Very low | 23.3 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -72.7 | 114.4 | -172.6 | 178.1 | 0 | 0 | 0 | 0 | 111 | P268 | P268-V270 PolarHBondContact O-N 3.47Š| ||
| 271 | K | 22.7 | Very low | 24 | Very low | 185 Ų | 185 | 145.7 Ų | 145.7 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -128.2 | 112.3 | 157.6 | -73.5 | -171.5 | 178.2 | 175.6 | 0 | 110.5 | S269 V273 | S269-K271 PolarHBondContact O-N 2.83Å; K271-V273 PolarHBondContact O-N 2.94Å | ||
| 272 | T | 19.8 | Very low | 25.2 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | trans | -69.9 | 103.4 | 177.8 | 39.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 273 | V | 23.6 | Very low | 27 | Very low | 130 Ų | 130 | 144 Ų | 144 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | -110.9 | 135.7 | 167.1 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | K271 | K271-V273 PolarHBondContact O-N 2.94Š| ||
| 274 | S | 21.2 | Very low | 28.9 | Very low | 83 Ų | 83 | 135.6 Ų | 135.6 | 58% | 0.58 | 73% | 0.733 | S | S | * | * | trans | -68.4 | 142.4 | -172.5 | 46.2 | 0 | 0 | 0 | 0 | 112.9 | D276 | S274-D276 PolarHBondContact O-N 3.03Š| ||
| 275 | P | 25.7 | Very low | 31.1 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | trans | -81 | 45 | -174.7 | 34.8 | -37.8 | 0 | 0 | 0 | 114.1 | R277 | P275-R277 VanDerWaalsContact C-N 3.35Å; P275-R277 PolarHBondContact O-N 3.35Å; P275-R277 VanDerWaalsContact O-N 3.1Å | ||
| 276 | D | 23.5 | Very low | 33.1 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | trans | -85.9 | 67.7 | 178.3 | -79.8 | -48.8 | 0 | 0 | 0 | 112.5 | S274 | S274-D276 PolarHBondContact O-N 3.03Š| ||
| 277 | R | 24.2 | Very low | 35 | Very low | 237 Ų | 237 | 116.1 Ų | 116.1 | 89% | 0.894 | 65% | 0.651 | S | S | * | * | trans | -165.2 | 68 | 162.2 | -112.8 | 168.4 | -165.3 | -166.6 | 4.4 | 112.6 | P275 D279 | P275-R277 VanDerWaalsContact C-N 3.35Å; P275-R277 PolarHBondContact O-N 3.35Å; P275-R277 VanDerWaalsContact O-N 3.1Å; R277-D279 VanDerWaalsContact C-N 3.25Å; R277-D279 PolarHBondContact O-N 3.46Å | ||
| 278 | T | 26.6 | Very low | 36.7 | Very low | 138 Ų | 138 | 114.5 Ų | 114.5 | 85% | 0.847 | 66% | 0.659 | S | S | * | * | trans | -83.4 | 58.1 | 177.4 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 279 | D | 28.8 | Very low | 38.3 | Very low | 138 Ų | 138 | 113.6 Ų | 113.6 | 74% | 0.738 | 66% | 0.655 | S | S | * | * | trans | -127.6 | 131.6 | -178.5 | -100.3 | -51.8 | 0 | 0 | 0 | 114.7 | R277 D281 | R277-D279 VanDerWaalsContact C-N 3.25Å; R277-D279 PolarHBondContact O-N 3.46Å; D279-D281 PolarHBondContact O-N 2.92Å | ||
| 280 | L | 34.5 | Very low | 40.3 | Very low | 168 Ų | 168 | 109.1 Ų | 109.1 | 88% | 0.88 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 67.8 | 2 | 152.1 | -133.9 | 67.6 | 0 | 0 | 0 | 123.5 | ||
| 281 | D | 38 | Very low | 42.7 | Very low | 118 Ų | 118 | 105 Ų | 105 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | trans | -109.1 | 37.8 | 174.4 | -120.8 | -41.8 | 0 | 0 | 0 | 115.2 | D279 S284 K314 | D279-D281 PolarHBondContact O-N 2.92Å; D281-S284 PolarHBondContact OD1-OG 3.37Å; D281-S284 VanDerWaalsContact OD1-OG 3.12Å; D281-K314 PolarHBondContact O-NZ 2.88Å | ||
| 282 | N | 47.9 | Very low | 45.3 | Very low | 114 Ų | 114 | 96.1 Ų | 96.1 | 61% | 0.61 | 56% | 0.562 | S | S | * | * | trans | -92.2 | -16.9 | -177.9 | -90.6 | -44 | 0 | 0 | 0 | 116.3 | K314 | N282-K314 PolarHBondContact O-NZ 3.37Å; N282-K314 PolarHBondContact OD1-NZ 3.4Å; N282-K314 VanDerWaalsContact OD1-NZ 3.15Å | ||
| 283 | D | 56.7 | Low | 48.2 | Very low | 95 Ų | 95 | 91 Ų | 91 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -100.7 | 20.8 | -173 | -80.1 | 24.5 | 0 | 0 | 0 | 113.9 | H303 F306 | D283-H303 IonicContact OD2-CE1 2.62Å; D283-F306 VanDerWaalsContact O-CE1 3.31Å; D283-F306 WeakPolarHBondContact O-CE1 3.5Å |
| 284 | S | 63.6 | Low | 50.8 | Low | 6 Ų | 6 | 88.1 Ų | 88.1 | 4% | 0.042 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.4 | 179.1 | 61.7 | 0 | 0 | 0 | 0 | 112.4 | D281 I292 | D281-S284 PolarHBondContact OD1-OG 3.37Å; D281-S284 VanDerWaalsContact OD1-OG 3.12Å; S284-I292 WeakPolarHBondContact CA-O 3.21Å |
| 285 | I | 66.5 | Low | 53.4 | Low | 7 Ų | 7 | 91.6 Ų | 91.6 | 4% | 0.036 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 115.6 | 164 | -54.8 | 169.4 | 0 | 0 | 0 | 106.5 | I292 F306 L309 V310 F313 L381 | I285-I292 HydrophobicContact CB-CB 4.28Å; I285-I292 PolarHBondContact N-O 3.48Å; I285-I292 PolarHBondContact O-N 2.9Å; I285-F306 HydrophobicContact CD1-CD2 4.3Å; I285-F306 HydrophobicContact CD1-CE2 3.75Å; I285-F306 HydrophobicContact CD1-CZ 4.18Å; I285-F306 HydrophobicContact CG1-CE2 4.11Å; I285-F306 HydrophobicContact CG1-CZ 4.02Å; I285-L309 HydrophobicContact CD1-CB 4.33Å; I285-L309 HydrophobicContact CD1-CD2 3.75Å; I285-L309 HydrophobicContact CD1-CG 3.79Å; I285-V310 HydrophobicContact CD1-CG2 4.15Å; I285-V310 HydrophobicContact CG1-CB 4.33Å; I285-V310 HydrophobicContact CG1-CG2 3.47Å; I285-V310 VanDerWaalsContact CG1-CG2 3.47Å; I285-F313 HydrophobicContact CD1-CD2 4.09Å; I285-F313 HydrophobicContact CD1-CE2 4.33Å; I285-F313 HydrophobicContact CG1-CD2 4.42Å; I285-F313 HydrophobicContact CG2-CB 4.3Å; I285-F313 HydrophobicContact CG2-CD2 3.55Å; I285-F313 HydrophobicContact CG2-CE2 4.19Å; I285-F313 HydrophobicContact CG2-CG 4.18Å; I285-L381 HydrophobicContact CD1-CD2 4.47Å |
| 286 | V | 65 | Low | 55.8 | Low | 115 Ų | 115 | 87 Ų | 87 | 70% | 0.697 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 109.4 | 173.9 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | ||
| 287 | T | 61.7 | Low | 58.4 | Low | 13 Ų | 13 | 80.3 Ų | 80.3 | 8% | 0.08 | 45% | 0.445 | C | S | . | . | trans | -85.4 | 160.7 | 158.9 | 87 | 0 | 0 | 0 | 0 | 108.2 | C289 A290 I292 E380 I384 | T287-C289 PolarHBondContact O-N 2.89Å; T287-C289 PolarHBondContact OG1-N 3.26Å; T287-A290 PolarHBondContact N-O 2.96Å; T287-A290 PolarHBondContact O-N 3.42Å; T287-A290 PolarHBondContact OG1-N 3.3Å; T287-A290 PolarHBondContact OG1-O 3.1Å; T287-I292 HydrophobicContact CG2-CD1 3.68Å; T287-I292 HydrophobicContact CG2-CG1 4.26Å; T287-E380 HydrophobicContact CG2-CB 4.42Å; T287-E380 PolarHBondContact OG1-OE2 3.04Å; T287-I384 HydrophobicContact CG2-CD1 3.53Å | ||
| 288 | G | 57 | Low | 60.9 | Low | 92 Ų | 92 | 70.3 Ų | 70.3 | 95% | 0.948 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -57.5 | -19.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 289 | C | 56.3 | Low | 63.3 | Low | 108 Ų | 108 | 69.4 Ų | 69.4 | 73% | 0.73 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -113.3 | -15.4 | -179.5 | -58.5 | 0 | 0 | 0 | 0 | 113.8 | T287 | T287-C289 PolarHBondContact O-N 2.89Å; T287-C289 PolarHBondContact OG1-N 3.26Å |
| 290 | A | 62.3 | Low | 65.6 | Low | 11 Ų | 11 | 63.3 Ų | 63.3 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | trans | -155.1 | 133.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T287 I292 E380 | T287-A290 PolarHBondContact N-O 2.96Å; T287-A290 PolarHBondContact O-N 3.42Å; T287-A290 PolarHBondContact OG1-N 3.3Å; T287-A290 PolarHBondContact OG1-O 3.1Å; A290-I292 PolarHBondContact O-N 3.41Å; A290-E380 HydrophobicContact CB-CG 4.36Å | ||
| 291 | S | 71.6 | Confident | 67.9 | Low | 45 Ų | 45 | 55.8 Ų | 55.8 | 32% | 0.315 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 114.7 | 160 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | R373 | S291-R373 PolarHBondContact O-NH2 3.25Å |
| 292 | I | 77.8 | Confident | 69.9 | Low | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 112.4 | 179.1 | -57.9 | 179.9 | 0 | 0 | 0 | 108.3 | S284 I285 T287 A290 V297 F306 C377 E380 L381 | S284-I292 WeakPolarHBondContact CA-O 3.21Å; I285-I292 HydrophobicContact CB-CB 4.28Å; I285-I292 PolarHBondContact N-O 3.48Å; I285-I292 PolarHBondContact O-N 2.9Å; T287-I292 HydrophobicContact CG2-CD1 3.68Å; T287-I292 HydrophobicContact CG2-CG1 4.26Å; A290-I292 PolarHBondContact O-N 3.41Å; I292-V297 HydrophobicContact CG2-CG2 3.38Å; I292-F306 HydrophobicContact CG2-CE2 4.39Å; I292-C377 HydrophobicContact CD1-CB 4.49Å; I292-C377 HydrophobicContact CG1-CB 4.34Å; I292-C377 HydrophobicContact CG2-CB 3.99Å; I292-E380 HydrophobicContact CD1-CB 4.04Å; I292-L381 HydrophobicContact CD1-CD2 4.11Å; I292-L381 HydrophobicContact CD1-CG 3.92Å |
| 293 | C | 80.2 | Confident | 71.3 | Confident | 33 Ų | 33 | 49.5 Ų | 49.5 | 22% | 0.223 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 153.1 | -179.4 | -64.7 | 0 | 0 | 0 | 0 | 111.2 | K295 D296 | C293-K295 HydrophobicContact CB-CD 4.07Å; C293-K295 HydrophobicContact CB-CG 3.76Å; C293-K295 PolarHBondContact O-N 3.48Å; C293-K295 VanDerWaalsContact O-N 3.08Å; C293-D296 WeakPolarHBondContact CB-OD2 3.39Å; C293-D296 PolarHBondContact N-OD2 3.05Å; C293-D296 PolarHBondContact O-N 3.31Å |
| 294 | Y | 77.9 | Confident | 72.3 | Confident | 70 Ų | 70 | 48.8 Ų | 48.8 | 28% | 0.275 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.2 | -28.5 | 176.8 | -178.2 | -109.5 | 0 | 0 | 0 | 113.6 | D296 V297 G298 H303 F306 | Y294-D296 PolarHBondContact O-N 3.13Å; Y294-V297 PolarHBondContact O-N 3.44Å; Y294-G298 VanDerWaalsContact CE2-CA 3.49Å; Y294-G298 WeakPolarHBondContact O-CA 3.38Å; Y294-G298 PolarHBondContact O-N 3.38Å; Y294-H303 HydrophobicContact CD1-CB 4.39Å; Y294-H303 AromaticContact CD1-ND1 3.65Å; Y294-H303 HydrophobicContact CD2-CB 4.38Å; Y294-H303 HydrophobicContact CE1-CB 3.88Å; Y294-H303 HydrophobicContact CE2-CB 3.85Å; Y294-H303 AromaticContact CG-ND1 3.67Å; Y294-H303 PolarHBondContact OH-N 3.24Å; Y294-F306 HydrophobicContact CD2-CB 3.59Å; Y294-F306 AromaticContact CD2-CD1 3.95Å; Y294-F306 HydrophobicContact CD2-CD1 3.95Å; Y294-F306 HydrophobicContact CD2-CD2 4.19Å; Y294-F306 AromaticContact CD2-CG 3.64Å; Y294-F306 HydrophobicContact CD2-CG 3.64Å; Y294-F306 HydrophobicContact CE2-CB 4.08Å; Y294-F306 HydrophobicContact CG-CD1 4.25Å; Y294-F306 HydrophobicContact CG-CG 4.36Å |
| 295 | K | 76.6 | Confident | 73.1 | Confident | 156 Ų | 156 | 48.8 Ų | 48.8 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -55.9 | -33.7 | 175.1 | 71.2 | -174.3 | -179.5 | 177.3 | 0 | 113.1 | C293 | C293-K295 HydrophobicContact CB-CD 4.07Å; C293-K295 HydrophobicContact CB-CG 3.76Å; C293-K295 PolarHBondContact O-N 3.48Å; C293-K295 VanDerWaalsContact O-N 3.08Å |
| 296 | D | 75.1 | Confident | 73.8 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 11% | 0.112 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -86.8 | -36.6 | -174.3 | -51.9 | -57.6 | 0 | 0 | 0 | 110.8 | C293 Y294 R373 | C293-D296 WeakPolarHBondContact CB-OD2 3.39Å; C293-D296 PolarHBondContact N-OD2 3.05Å; C293-D296 PolarHBondContact O-N 3.31Å; Y294-D296 PolarHBondContact O-N 3.13Å; D296-R373 HydrophobicContact CB-CG 4.22Å; D296-R373 WeakPolarHBondContact OD1-CG 3.09Å |
| 297 | V | 78.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -103 | -8.7 | -171.9 | -165.1 | 0 | 0 | 0 | 0 | 113.3 | I292 Y294 H299 L300 M301 C377 L381 | I292-V297 HydrophobicContact CG2-CG2 3.38Å; Y294-V297 PolarHBondContact O-N 3.44Å; V297-H299 PolarHBondContact O-N 3.43Å; V297-L300 HydrophobicContact CG1-CB 4.22Å; V297-L300 HydrophobicContact CG1-CD1 4.37Å; V297-L300 WeakPolarHBondContact O-CA 3.47Å; V297-L300 WeakPolarHBondContact O-CB 3.38Å; V297-L300 PolarHBondContact O-N 3.43Å; V297-M301 HydrophobicContact CG1-CE 3.73Å; V297-M301 HydrophobicContact CG1-CG 4.11Å; V297-M301 HydrophobicContact CG1-SD 4.12Å; V297-M301 PolarHBondContact O-N 2.83Å; V297-C377 HydrophobicContact CG2-CB 3.82Å; V297-L381 HydrophobicContact CG1-CD1 4.21Å |
| 298 | G | 76.9 | Confident | 75 | Confident | 28 Ų | 28 | 47.8 Ų | 47.8 | 29% | 0.289 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -6.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | Y294 | Y294-G298 VanDerWaalsContact CE2-CA 3.49Å; Y294-G298 WeakPolarHBondContact O-CA 3.38Å; Y294-G298 PolarHBondContact O-N 3.38Å |
| 299 | H | 77 | Confident | 75.9 | Confident | 118 Ų | 118 | 43.6 Ų | 43.6 | 55% | 0.546 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -21.4 | 167.9 | -60.3 | 103 | 0 | 0 | 0 | 113.1 | V297 V350 | V297-H299 PolarHBondContact O-N 3.43Å; H299-V350 HydrophobicContact CB-CG1 4.01Å |
| 300 | L | 78 | Confident | 76.9 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -27.8 | -174.7 | -62.8 | 175.2 | 0 | 0 | 0 | 113.4 | V297 A337 V338 L351 L378 | V297-L300 HydrophobicContact CG1-CB 4.22Å; V297-L300 HydrophobicContact CG1-CD1 4.37Å; V297-L300 WeakPolarHBondContact O-CA 3.47Å; V297-L300 WeakPolarHBondContact O-CB 3.38Å; V297-L300 PolarHBondContact O-N 3.43Å; L300-A337 HydrophobicContact CB-CB 4.38Å; L300-A337 HydrophobicContact CD2-CB 4.1Å; L300-A337 WeakPolarHBondContact O-CB 3.4Å; L300-V338 HydrophobicContact CD2-CG2 4.06Å; L300-L351 HydrophobicContact CD2-CD1 4.39Å; L300-L378 HydrophobicContact CD1-CB 4.19Å; L300-L378 HydrophobicContact CD1-CD1 4.16Å; L300-L378 HydrophobicContact CD1-CD2 4.07Å; L300-L378 HydrophobicContact CD1-CG 4.37Å |
| 301 | M | 80.8 | Confident | 77.2 | Confident | 10 Ų | 10 | 40.9 Ų | 40.9 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -146.1 | 161.4 | -177.9 | 68 | 179.7 | 60.8 | 0 | 0 | 112.4 | V297 T305 F306 L309 V330 I334 L381 | V297-M301 HydrophobicContact CG1-CE 3.73Å; V297-M301 HydrophobicContact CG1-CG 4.11Å; V297-M301 HydrophobicContact CG1-SD 4.12Å; V297-M301 PolarHBondContact O-N 2.83Å; M301-T305 HydrophobicContact CB-CG2 4.36Å; M301-F306 HydrophobicContact CG-CB 4.16Å; M301-F306 HydrophobicContact SD-CB 3.73Å; M301-F306 HydrophobicContact SD-CD2 3.89Å; M301-F306 HydrophobicContact SD-CG 4.31Å; M301-L309 HydrophobicContact CE-CD2 3.93Å; M301-L309 HydrophobicContact SD-CD2 4.18Å; M301-V330 HydrophobicContact CE-CG1 4.4Å; M301-I334 HydrophobicContact CE-CD1 3.54Å; M301-I334 HydrophobicContact CE-CG1 3.65Å; M301-L381 HydrophobicContact CE-CD1 4.41Å |
| 302 | S | 80.5 | Confident | 77.1 | Confident | 47 Ų | 47 | 42.4 Ų | 42.4 | 33% | 0.329 | 23% | 0.227 | S | C | . | . | trans | -75.5 | 154.7 | 175.6 | 84.5 | 0 | 0 | 0 | 0 | 111.6 | S304 T305 F306 | S302-S304 PolarHBondContact O-N 2.94Å; S302-S304 PolarHBondContact OG-N 3.11Å; S302-S304 PolarHBondContact OG-OG 2.99Å; S302-T305 PolarHBondContact N-OG1 3.35Å; S302-T305 CarbonylContact O-C 3.58Å; S302-T305 WeakPolarHBondContact O-CA 3.34Å; S302-T305 WeakPolarHBondContact O-CB 3.4Å; S302-T305 PolarHBondContact O-N 3.17Å; S302-T305 PolarHBondContact OG-N 3.18Å; S302-T305 PolarHBondContact OG-OG1 2.62Å; S302-F306 PolarHBondContact O-N 2.97Å | ||
| 303 | H | 78.4 | Confident | 76.7 | Confident | 54 Ų | 54 | 44.9 Ų | 44.9 | 25% | 0.25 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.7 | -33.3 | 174.4 | -174.9 | 65 | 0 | 0 | 0 | 112.7 | D283 Y294 F306 N307 | D283-H303 IonicContact OD2-CE1 2.62Å; Y294-H303 HydrophobicContact CD1-CB 4.39Å; Y294-H303 AromaticContact CD1-ND1 3.65Å; Y294-H303 HydrophobicContact CD2-CB 4.38Å; Y294-H303 HydrophobicContact CE1-CB 3.88Å; Y294-H303 HydrophobicContact CE2-CB 3.85Å; Y294-H303 AromaticContact CG-ND1 3.67Å; Y294-H303 PolarHBondContact OH-N 3.24Å; H303-F306 PolarHBondContact O-N 2.98Å; H303-N307 PolarHBondContact CE1-ND2 2.75Å; H303-N307 PolarHBondContact CE1-OD1 3.3Å; H303-N307 PolarHBondContact ND1-OD1 3Å; H303-N307 PolarHBondContact NE2-ND2 3.1Å; H303-N307 VanDerWaalsContact NE2-ND2 3.16Å; H303-N307 WeakPolarHBondContact O-CB 3.32Å; H303-N307 PolarHBondContact O-N 2.84Å; H303-N307 PolarHBondContact O-OD1 3Å; H303-N307 VanDerWaalsContact O-OD1 3.12Å |
| 304 | S | 77.6 | Confident | 76 | Confident | 79 Ų | 79 | 48.1 Ų | 48.1 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.9 | -43.6 | 170.3 | 26.7 | 0 | 0 | 0 | 0 | 112.6 | S302 N307 Q308 | S302-S304 PolarHBondContact O-N 2.94Å; S302-S304 PolarHBondContact OG-N 3.11Å; S302-S304 PolarHBondContact OG-OG 2.99Å; S304-N307 PolarHBondContact O-N 2.98Å; S304-Q308 WeakPolarHBondContact O-CB 3.33Å; S304-Q308 VanDerWaalsContact O-CG 3.27Å; S304-Q308 WeakPolarHBondContact O-CG 3.09Å; S304-Q308 PolarHBondContact O-N 3.43Å |
| 305 | T | 79.1 | Confident | 74.8 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 176.8 | -36.4 | 0 | 0 | 0 | 0 | 110.8 | M301 S302 Q308 L309 V330 E333 | M301-T305 HydrophobicContact CB-CG2 4.36Å; S302-T305 PolarHBondContact N-OG1 3.35Å; S302-T305 CarbonylContact O-C 3.58Å; S302-T305 WeakPolarHBondContact O-CA 3.34Å; S302-T305 WeakPolarHBondContact O-CB 3.4Å; S302-T305 PolarHBondContact O-N 3.17Å; S302-T305 PolarHBondContact OG-N 3.18Å; S302-T305 PolarHBondContact OG-OG1 2.62Å; T305-Q308 WeakPolarHBondContact O-CB 3.22Å; T305-Q308 PolarHBondContact O-N 2.93Å; T305-L309 PolarHBondContact O-N 3.14Å; T305-V330 HydrophobicContact CG2-CB 4.12Å; T305-V330 HydrophobicContact CG2-CG1 3.75Å; T305-V330 HydrophobicContact CG2-CG2 3.79Å; T305-E333 VanDerWaalsContact CG2-OE2 3.3Å; T305-E333 WeakPolarHBondContact CG2-OE2 3.07Å; T305-E333 PolarHBondContact OG1-OE2 2.8Å |
| 306 | F | 82.7 | Confident | 73.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 176.7 | -178.7 | -94.5 | 0 | 0 | 0 | 112 | D283 I285 I292 Y294 M301 S302 H303 Q308 L309 V310 | D283-F306 VanDerWaalsContact O-CE1 3.31Å; D283-F306 WeakPolarHBondContact O-CE1 3.5Å; I285-F306 HydrophobicContact CD1-CD2 4.3Å; I285-F306 HydrophobicContact CD1-CE2 3.75Å; I285-F306 HydrophobicContact CD1-CZ 4.18Å; I285-F306 HydrophobicContact CG1-CE2 4.11Å; I285-F306 HydrophobicContact CG1-CZ 4.02Å; I292-F306 HydrophobicContact CG2-CE2 4.39Å; Y294-F306 HydrophobicContact CD2-CB 3.59Å; Y294-F306 AromaticContact CD2-CD1 3.95Å; Y294-F306 HydrophobicContact CD2-CD1 3.95Å; Y294-F306 HydrophobicContact CD2-CD2 4.19Å; Y294-F306 AromaticContact CD2-CG 3.64Å; Y294-F306 HydrophobicContact CD2-CG 3.64Å; Y294-F306 HydrophobicContact CE2-CB 4.08Å; Y294-F306 HydrophobicContact CG-CD1 4.25Å; Y294-F306 HydrophobicContact CG-CG 4.36Å; M301-F306 HydrophobicContact CG-CB 4.16Å; M301-F306 HydrophobicContact SD-CB 3.73Å; M301-F306 HydrophobicContact SD-CD2 3.89Å; M301-F306 HydrophobicContact SD-CG 4.31Å; S302-F306 PolarHBondContact O-N 2.97Å; H303-F306 PolarHBondContact O-N 2.98Å; F306-Q308 VanDerWaalsContact C-N 3.26Å; F306-Q308 PolarHBondContact O-N 3.49Å; F306-L309 CarbonylContact O-C 3.57Å; F306-L309 WeakPolarHBondContact O-CA 3.32Å; F306-L309 WeakPolarHBondContact O-CB 3.42Å; F306-L309 PolarHBondContact O-N 3.22Å; F306-V310 HydrophobicContact CD1-CG2 3.87Å; F306-V310 HydrophobicContact CE1-CG2 3.45Å; F306-V310 VanDerWaalsContact CE1-CG2 3.45Å; F306-V310 HydrophobicContact CZ-CG2 3.85Å; F306-V310 WeakPolarHBondContact O-CG2 3.49Å; F306-V310 PolarHBondContact O-N 3.3Å |
| 307 | N | 78.3 | Confident | 71.5 | Confident | 57 Ų | 57 | 50.4 Ų | 50.4 | 31% | 0.305 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.4 | -29.5 | 178.6 | -63.9 | 4.7 | 0 | 0 | 0 | 111.7 | H303 S304 S311 | H303-N307 PolarHBondContact CE1-ND2 2.75Å; H303-N307 PolarHBondContact CE1-OD1 3.3Å; H303-N307 PolarHBondContact ND1-OD1 3Å; H303-N307 PolarHBondContact NE2-ND2 3.1Å; H303-N307 VanDerWaalsContact NE2-ND2 3.16Å; H303-N307 WeakPolarHBondContact O-CB 3.32Å; H303-N307 PolarHBondContact O-N 2.84Å; H303-N307 PolarHBondContact O-OD1 3Å; H303-N307 VanDerWaalsContact O-OD1 3.12Å; S304-N307 PolarHBondContact O-N 2.98Å; N307-S311 WeakPolarHBondContact O-CB 3.24Å; N307-S311 PolarHBondContact O-N 3.07Å |
| 308 | Q | 73 | Confident | 69.3 | Low | 57 Ų | 57 | 60 Ų | 60 | 27% | 0.266 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 168.2 | -74.8 | 171.1 | -35.7 | 0 | 0 | 111.5 | S304 T305 F306 S311 H312 Y325 | S304-Q308 WeakPolarHBondContact O-CB 3.33Å; S304-Q308 VanDerWaalsContact O-CG 3.27Å; S304-Q308 WeakPolarHBondContact O-CG 3.09Å; S304-Q308 PolarHBondContact O-N 3.43Å; T305-Q308 WeakPolarHBondContact O-CB 3.22Å; T305-Q308 PolarHBondContact O-N 2.93Å; F306-Q308 VanDerWaalsContact C-N 3.26Å; F306-Q308 PolarHBondContact O-N 3.49Å; Q308-S311 CarbonylContact O-C 3.48Å; Q308-S311 WeakPolarHBondContact O-CB 3.39Å; Q308-S311 PolarHBondContact O-N 3.1Å; Q308-S311 VanDerWaalsContact O-N 3.15Å; Q308-S311 PolarHBondContact O-OG 3.19Å; Q308-H312 PolarHBondContact O-N 3.32Å; Q308-Y325 VanDerWaalsContact NE2-CE2 3.3Å; Q308-Y325 VanDerWaalsContact NE2-CG 3.33Å |
| 309 | L | 77 | Confident | 67.4 | Low | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 176.7 | -171.8 | 64.3 | 0 | 0 | 0 | 112.5 | I285 M301 T305 F306 S311 H312 F313 V330 L381 F385 | I285-L309 HydrophobicContact CD1-CB 4.33Å; I285-L309 HydrophobicContact CD1-CD2 3.75Å; I285-L309 HydrophobicContact CD1-CG 3.79Å; M301-L309 HydrophobicContact CE-CD2 3.93Å; M301-L309 HydrophobicContact SD-CD2 4.18Å; T305-L309 PolarHBondContact O-N 3.14Å; F306-L309 CarbonylContact O-C 3.57Å; F306-L309 WeakPolarHBondContact O-CA 3.32Å; F306-L309 WeakPolarHBondContact O-CB 3.42Å; F306-L309 PolarHBondContact O-N 3.22Å; L309-S311 VanDerWaalsContact C-N 3.31Å; L309-S311 PolarHBondContact O-N 3.42Å; L309-H312 WeakPolarHBondContact O-CB 3.27Å; L309-H312 PolarHBondContact O-N 2.94Å; L309-H312 VanDerWaalsContact O-N 3.11Å; L309-F313 HydrophobicContact CD1-CD2 4.14Å; L309-F313 HydrophobicContact CD1-CE2 3.47Å; L309-F313 VanDerWaalsContact CD1-CE2 3.47Å; L309-F313 HydrophobicContact CD1-CZ 4Å; L309-F313 HydrophobicContact CD2-CE2 4.27Å; L309-F313 HydrophobicContact CG-CD2 4.03Å; L309-F313 HydrophobicContact CG-CE2 3.63Å; L309-F313 WeakPolarHBondContact O-CD2 3.43Å; L309-F313 PolarHBondContact O-N 3.44Å; L309-V330 HydrophobicContact CD1-CG1 4.39Å; L309-V330 HydrophobicContact CD2-CG1 4.46Å; L309-L381 HydrophobicContact CD2-CD1 4.38Å; L309-L381 HydrophobicContact CD2-CD2 3.99Å; L309-F385 HydrophobicContact CD1-CE1 3.93Å; L309-F385 HydrophobicContact CD1-CZ 3.78Å; L309-F385 HydrophobicContact CD2-CZ 4.29Å |
| 310 | V | 76.8 | Confident | 65.7 | Low | 10 Ų | 10 | 67.4 Ų | 67.4 | 6% | 0.061 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.1 | -46.3 | 168.8 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | I285 F306 H312 F313 K314 | I285-V310 HydrophobicContact CD1-CG2 4.15Å; I285-V310 HydrophobicContact CG1-CB 4.33Å; I285-V310 HydrophobicContact CG1-CG2 3.47Å; I285-V310 VanDerWaalsContact CG1-CG2 3.47Å; F306-V310 HydrophobicContact CD1-CG2 3.87Å; F306-V310 HydrophobicContact CE1-CG2 3.45Å; F306-V310 VanDerWaalsContact CE1-CG2 3.45Å; F306-V310 HydrophobicContact CZ-CG2 3.85Å; F306-V310 WeakPolarHBondContact O-CG2 3.49Å; F306-V310 PolarHBondContact O-N 3.3Å; V310-H312 PolarHBondContact O-N 2.94Å; V310-F313 PolarHBondContact O-N 2.66Å; V310-K314 HydrophobicContact CG1-CD 3.82Å; V310-K314 HydrophobicContact CG1-CG 4.34Å; V310-K314 WeakPolarHBondContact O-CB 3.37Å; V310-K314 WeakPolarHBondContact O-CG 3.39Å; V310-K314 PolarHBondContact O-N 2.88Å |
| 311 | S | 69 | Low | 63.9 | Low | 52 Ų | 52 | 72.8 Ų | 72.8 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.2 | -24.3 | 178.3 | 84.6 | 0 | 0 | 0 | 0 | 113.4 | N307 Q308 L309 K315 | N307-S311 WeakPolarHBondContact O-CB 3.24Å; N307-S311 PolarHBondContact O-N 3.07Å; Q308-S311 CarbonylContact O-C 3.48Å; Q308-S311 WeakPolarHBondContact O-CB 3.39Å; Q308-S311 PolarHBondContact O-N 3.1Å; Q308-S311 VanDerWaalsContact O-N 3.15Å; Q308-S311 PolarHBondContact O-OG 3.19Å; L309-S311 VanDerWaalsContact C-N 3.31Å; L309-S311 PolarHBondContact O-N 3.42Å; S311-K315 VanDerWaalsContact O-CB 3.23Å; S311-K315 WeakPolarHBondContact O-CB 3.18Å; S311-K315 VanDerWaalsContact O-CD 3.31Å; S311-K315 WeakPolarHBondContact O-CD 3.39Å; S311-K315 WeakPolarHBondContact O-CG 3.37Å; S311-K315 PolarHBondContact O-N 3.29Å |
| 312 | H | 69 | Low | 62 | Low | 78 Ų | 78 | 80.2 Ų | 80.2 | 36% | 0.361 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -74.4 | -51.9 | 174.3 | -171 | -101.7 | 0 | 0 | 0 | 110.8 | Q308 L309 V310 K314 K315 I327 | Q308-H312 PolarHBondContact O-N 3.32Å; L309-H312 WeakPolarHBondContact O-CB 3.27Å; L309-H312 PolarHBondContact O-N 2.94Å; L309-H312 VanDerWaalsContact O-N 3.11Å; V310-H312 PolarHBondContact O-N 2.94Å; H312-K314 VanDerWaalsContact C-N 3.35Å; H312-K314 PolarHBondContact O-N 3.39Å; H312-K315 WeakPolarHBondContact O-CB 3.4Å; H312-K315 PolarHBondContact O-N 2.94Å; H312-K315 VanDerWaalsContact O-N 3.07Å; H312-I327 WeakPolarHBondContact CE1-CD1 3.25Å; H312-I327 WeakPolarHBondContact NE2-CD1 3.45Å |
| 313 | F | 68.1 | Low | 60.2 | Low | 51 Ų | 51 | 84.9 Ų | 84.9 | 22% | 0.224 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68 | -30.9 | 179.4 | -65.6 | -54.3 | 0 | 0 | 0 | 113.5 | I285 L309 V310 K315 T316 L381 I384 F385 | I285-F313 HydrophobicContact CD1-CD2 4.09Å; I285-F313 HydrophobicContact CD1-CE2 4.33Å; I285-F313 HydrophobicContact CG1-CD2 4.42Å; I285-F313 HydrophobicContact CG2-CB 4.3Å; I285-F313 HydrophobicContact CG2-CD2 3.55Å; I285-F313 HydrophobicContact CG2-CE2 4.19Å; I285-F313 HydrophobicContact CG2-CG 4.18Å; L309-F313 HydrophobicContact CD1-CD2 4.14Å; L309-F313 HydrophobicContact CD1-CE2 3.47Å; L309-F313 VanDerWaalsContact CD1-CE2 3.47Å; L309-F313 HydrophobicContact CD1-CZ 4Å; L309-F313 HydrophobicContact CD2-CE2 4.27Å; L309-F313 HydrophobicContact CG-CD2 4.03Å; L309-F313 HydrophobicContact CG-CE2 3.63Å; L309-F313 WeakPolarHBondContact O-CD2 3.43Å; L309-F313 PolarHBondContact O-N 3.44Å; V310-F313 PolarHBondContact O-N 2.66Å; F313-K315 VanDerWaalsContact C-N 3.31Å; F313-T316 PolarHBondContact O-OG1 3.41Å; F313-L381 HydrophobicContact CE2-CD2 4.15Å; F313-I384 HydrophobicContact CE1-CG2 3.53Å; F313-I384 HydrophobicContact CZ-CG2 3.68Å; F313-F385 HydrophobicContact CZ-CE1 4.4Å |
| 314 | K | 65.9 | Low | 58.6 | Low | 101 Ų | 101 | 85.9 Ų | 85.9 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -77.1 | -9.7 | 171.5 | -70.4 | -176.4 | 174.1 | 174.6 | 0 | 113.9 | D281 N282 V310 H312 | D281-K314 PolarHBondContact O-NZ 2.88Å; N282-K314 PolarHBondContact O-NZ 3.37Å; N282-K314 PolarHBondContact OD1-NZ 3.4Å; N282-K314 VanDerWaalsContact OD1-NZ 3.15Å; V310-K314 HydrophobicContact CG1-CD 3.82Å; V310-K314 HydrophobicContact CG1-CG 4.34Å; V310-K314 WeakPolarHBondContact O-CB 3.37Å; V310-K314 WeakPolarHBondContact O-CG 3.39Å; V310-K314 PolarHBondContact O-N 2.88Å; H312-K314 VanDerWaalsContact C-N 3.35Å; H312-K314 PolarHBondContact O-N 3.39Å |
| 315 | K | 52.8 | Low | 57.4 | Low | 83 Ų | 83 | 88.1 Ų | 88.1 | 36% | 0.361 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -84.2 | -3.8 | -179.7 | -100 | 173.6 | -177.5 | 176.9 | 0 | 114.8 | S311 H312 F313 A317 Y318 | S311-K315 VanDerWaalsContact O-CB 3.23Å; S311-K315 WeakPolarHBondContact O-CB 3.18Å; S311-K315 VanDerWaalsContact O-CD 3.31Å; S311-K315 WeakPolarHBondContact O-CD 3.39Å; S311-K315 WeakPolarHBondContact O-CG 3.37Å; S311-K315 PolarHBondContact O-N 3.29Å; H312-K315 WeakPolarHBondContact O-CB 3.4Å; H312-K315 PolarHBondContact O-N 2.94Å; H312-K315 VanDerWaalsContact O-N 3.07Å; F313-K315 VanDerWaalsContact C-N 3.31Å; K315-A317 PolarHBondContact O-N 3.08Å; K315-Y318 PolarHBondContact O-N 2.99Å; K315-Y318 VanDerWaalsContact O-O 3.08Å |
| 316 | T | 45.6 | Very low | 56.8 | Low | 132 Ų | 132 | 91.4 Ų | 91.4 | 81% | 0.81 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -56.3 | -15.3 | -178.9 | 47.8 | 0 | 0 | 0 | 0 | 114.9 | F313 | F313-T316 PolarHBondContact O-OG1 3.41Š|
| 317 | A | 37.5 | Very low | 56.7 | Low | 80 Ų | 80 | 92.8 Ų | 92.8 | 66% | 0.661 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -102.4 | -6.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | K315 | K315-A317 PolarHBondContact O-N 3.08Š|
| 318 | Y | 32.3 | Very low | 56.9 | Low | 202 Ų | 202 | 92.8 Ų | 92.8 | 79% | 0.792 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -139.4 | 142.4 | -172.5 | -87.4 | -89.1 | 0 | 0 | 0 | 114.4 | K315 | K315-Y318 PolarHBondContact O-N 2.99Å; K315-Y318 VanDerWaalsContact O-O 3.08Å |
| 319 | K | 37.1 | Very low | 57.4 | Low | 185 Ų | 185 | 94 Ų | 94 | 80% | 0.804 | 50% | 0.498 | S | S | * | . | trans | -49.6 | 141 | -173.6 | -70.8 | -178.2 | 176.6 | 178.7 | 0 | 113.4 | N321 | K319-N321 PolarHBondContact O-N 3.43Š| ||
| 320 | P | 40 | Very low | 57.7 | Low | 117 Ų | 117 | 94.2 Ų | 94.2 | 76% | 0.76 | 50% | 0.499 | S | S | * | . | trans | -70.5 | 104.2 | -179.9 | 29.2 | -34.6 | 0 | 0 | 0 | 111.2 | ||||
| 321 | N | 40.2 | Very low | 58.2 | Low | 123 Ų | 123 | 93.7 Ų | 93.7 | 66% | 0.658 | 50% | 0.496 | S | S | * | . | trans | -65.9 | 134.2 | 164.1 | -74 | -27.4 | 0 | 0 | 0 | 110 | K319 N323 | K319-N321 PolarHBondContact O-N 3.43Å; N321-N323 PolarHBondContact O-N 2.64Å | ||
| 322 | D | 41.7 | Very low | 59 | Low | 166 Ų | 166 | 93 Ų | 93 | 89% | 0.888 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -60 | 11.6 | -172.9 | -66.5 | -63.5 | 0 | 0 | 0 | 117.5 | G324 | D322-G324 PolarHBondContact O-N 2.91Š|
| 323 | N | 41.7 | Very low | 59.8 | Low | 145 Ų | 145 | 92.9 Ų | 92.9 | 78% | 0.775 | 49% | 0.486 | S | S | * | . | trans | -73.2 | 61.5 | 161.8 | -70.6 | -20.9 | 0 | 0 | 0 | 109.7 | N321 Y325 | N321-N323 PolarHBondContact O-N 2.64Å; N323-Y325 VanDerWaalsContact C-N 3.29Å; N323-Y325 PolarHBondContact O-N 3.31Å | ||
| 324 | G | 46.3 | Very low | 60.8 | Low | 75 Ų | 75 | 90.5 Ų | 90.5 | 77% | 0.773 | 48% | 0.476 | S | S | * | . | trans | -69.4 | 78.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | D322 D326 | D322-G324 PolarHBondContact O-N 2.91Å; G324-D326 PolarHBondContact O-N 3.19Å | ||
| 325 | Y | 51.9 | Low | 62 | Low | 126 Ų | 126 | 88.6 Ų | 88.6 | 49% | 0.494 | 47% | 0.466 | S | S | . | . | trans | -77.8 | 110.6 | 166 | -137.7 | -88.7 | 0 | 0 | 0 | 108.1 | Q308 N323 I327 Q329 | Q308-Y325 VanDerWaalsContact NE2-CE2 3.3Å; Q308-Y325 VanDerWaalsContact NE2-CG 3.33Å; N323-Y325 VanDerWaalsContact C-N 3.29Å; N323-Y325 PolarHBondContact O-N 3.31Å; Y325-I327 PolarHBondContact O-N 3.48Å; Y325-Q329 PolarHBondContact OH-NE2 2.68Å | ||
| 326 | D | 67.1 | Low | 63.7 | Low | 76 Ų | 76 | 90 Ų | 90 | 41% | 0.406 | 47% | 0.472 | S | S | . | . | trans | -60 | 124.8 | -173.9 | 179.2 | 15.8 | 0 | 0 | 0 | 111.6 | G324 H328 Q329 | G324-D326 PolarHBondContact O-N 3.19Å; D326-H328 PolarHBondContact O-N 3.41Å; D326-H328 WeakPolarHBondContact OD1-CB 3.47Å; D326-H328 PolarHBondContact OD1-N 3.01Å; D326-H328 IonicContact OD2-CG 3.91Å; D326-H328 IonicContact OD2-ND1 3.19Å; D326-H328 PolarHBondContact OD2-ND1 3.13Å; D326-Q329 HydrophobicContact CB-CB 4.34Å; D326-Q329 WeakPolarHBondContact O-CB 3.41Å; D326-Q329 PolarHBondContact O-N 3.25Å | ||
| 327 | I | 79.5 | Confident | 65.6 | Low | 29 Ų | 29 | 84.5 Ų | 84.5 | 15% | 0.149 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -57.6 | -40.1 | 176.4 | -52.5 | 168.6 | 0 | 0 | 0 | 109.4 | H312 Y325 Q329 V330 T331 F385 D388 V393 | H312-I327 WeakPolarHBondContact CE1-CD1 3.25Å; H312-I327 WeakPolarHBondContact NE2-CD1 3.45Å; Y325-I327 PolarHBondContact O-N 3.48Å; I327-Q329 PolarHBondContact O-N 2.86Å; I327-V330 WeakPolarHBondContact O-CA 3.3Å; I327-V330 VanDerWaalsContact O-CB 3.29Å; I327-V330 WeakPolarHBondContact O-CB 3.23Å; I327-V330 PolarHBondContact O-N 2.87Å; I327-T331 PolarHBondContact O-N 3.39Å; I327-T331 PolarHBondContact O-OG1 3.28Å; I327-F385 HydrophobicContact CG2-CD1 4.23Å; I327-F385 HydrophobicContact CG2-CE1 3.89Å; I327-D388 WeakPolarHBondContact CD1-OD2 3.4Å; I327-V393 HydrophobicContact CB-CG2 3.91Å; I327-V393 HydrophobicContact CG2-CG1 4.34Å; I327-V393 HydrophobicContact CG2-CG2 3.8Å |
| 328 | H | 82.9 | Confident | 68 | Low | 56 Ų | 56 | 80.7 Ų | 80.7 | 26% | 0.259 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.4 | -26.5 | 179.1 | 147.9 | -99 | 0 | 0 | 0 | 112.1 | D326 V330 T331 E332 N392 V393 | D326-H328 PolarHBondContact O-N 3.41Å; D326-H328 WeakPolarHBondContact OD1-CB 3.47Å; D326-H328 PolarHBondContact OD1-N 3.01Å; D326-H328 IonicContact OD2-CG 3.91Å; D326-H328 IonicContact OD2-ND1 3.19Å; D326-H328 PolarHBondContact OD2-ND1 3.13Å; H328-V330 VanDerWaalsContact C-N 3.35Å; H328-T331 PolarHBondContact O-N 3.1Å; H328-E332 WeakPolarHBondContact O-CB 3.42Å; H328-E332 WeakPolarHBondContact O-CG 3.22Å; H328-E332 PolarHBondContact O-N 3Å; H328-N392 HydrophobicContact CB-CB 4.27Å; H328-V393 HydrophobicContact CB-CG2 3.74Å |
| 329 | Q | 83.1 | Confident | 70.8 | Confident | 84 Ų | 84 | 73.5 Ų | 73.5 | 39% | 0.393 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 169.3 | -175.2 | 177.3 | -24.6 | 0 | 0 | 112 | Y325 D326 I327 E332 E333 | Y325-Q329 PolarHBondContact OH-NE2 2.68Å; D326-Q329 HydrophobicContact CB-CB 4.34Å; D326-Q329 WeakPolarHBondContact O-CB 3.41Å; D326-Q329 PolarHBondContact O-N 3.25Å; I327-Q329 PolarHBondContact O-N 2.86Å; Q329-E332 PolarHBondContact O-N 2.85Å; Q329-E333 PolarHBondContact O-N 2.82Å |
| 330 | V | 83.7 | Confident | 72.9 | Confident | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.8 | -48.6 | 175.3 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | M301 T305 L309 I327 H328 E332 E333 I334 | M301-V330 HydrophobicContact CE-CG1 4.4Å; T305-V330 HydrophobicContact CG2-CB 4.12Å; T305-V330 HydrophobicContact CG2-CG1 3.75Å; T305-V330 HydrophobicContact CG2-CG2 3.79Å; L309-V330 HydrophobicContact CD1-CG1 4.39Å; L309-V330 HydrophobicContact CD2-CG1 4.46Å; I327-V330 WeakPolarHBondContact O-CA 3.3Å; I327-V330 VanDerWaalsContact O-CB 3.29Å; I327-V330 WeakPolarHBondContact O-CB 3.23Å; I327-V330 PolarHBondContact O-N 2.87Å; H328-V330 VanDerWaalsContact C-N 3.35Å; V330-E332 VanDerWaalsContact C-N 3.25Å; V330-E332 PolarHBondContact O-N 3.38Å; V330-E333 PolarHBondContact O-N 3.46Å; V330-I334 HydrophobicContact CG1-CD1 4.27Å; V330-I334 WeakPolarHBondContact O-CG1 3.46Å; V330-I334 PolarHBondContact O-N 3.04Å |
| 331 | T | 85.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.1 | -37.6 | 176.9 | -38.1 | 0 | 0 | 0 | 0 | 111.2 | I327 H328 I334 R335 F385 C396 I400 | I327-T331 PolarHBondContact O-N 3.39Å; I327-T331 PolarHBondContact O-OG1 3.28Å; H328-T331 PolarHBondContact O-N 3.1Å; T331-I334 PolarHBondContact O-N 3.4Å; T331-R335 PolarHBondContact O-N 3.46Å; T331-F385 HydrophobicContact CG2-CD2 4.42Å; T331-C396 HydrophobicContact CG2-CB 3.92Å; T331-I400 HydrophobicContact CG2-CD1 3.9Å |
| 332 | E | 87.1 | Confident | 76.7 | Confident | 37 Ų | 37 | 57.6 Ų | 57.6 | 17% | 0.173 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.4 | -29.4 | 173 | -93.6 | -67.8 | 96.6 | 0 | 0 | 114.3 | H328 Q329 V330 R335 K336 | H328-E332 WeakPolarHBondContact O-CB 3.42Å; H328-E332 WeakPolarHBondContact O-CG 3.22Å; H328-E332 PolarHBondContact O-N 3Å; Q329-E332 PolarHBondContact O-N 2.85Å; V330-E332 VanDerWaalsContact C-N 3.25Å; V330-E332 PolarHBondContact O-N 3.38Å; E332-R335 IonicContact OE1-CZ 2.81Å; E332-R335 IonicContact OE1-NE 2.79Å; E332-R335 PolarHBondContact OE1-NE 3.12Å; E332-R335 IonicContact OE1-NH2 3.12Å; E332-R335 PolarHBondContact OE1-NH2 3.47Å; E332-R335 IonicContact OE2-NH2 3.7Å; E332-R335 PolarHBondContact OE2-NH2 3.13Å; E332-K336 VanDerWaalsContact O-CG 3.26Å; E332-K336 WeakPolarHBondContact O-CG 3.34Å; E332-K336 PolarHBondContact O-N 2.9Å; E332-K336 PolarHBondContact O-NZ 3.19Å; E332-K336 IonicContact OE2-NZ 2.74Å; E332-K336 PolarHBondContact OE2-NZ 3.35Å |
| 333 | E | 85.6 | Confident | 78.4 | Confident | 76 Ų | 76 | 55.6 Ų | 55.6 | 36% | 0.355 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71 | -45 | 169.4 | -73.2 | -160.5 | 152.3 | 0 | 0 | 110.7 | T305 Q329 V330 R335 K336 A337 | T305-E333 VanDerWaalsContact CG2-OE2 3.3Å; T305-E333 WeakPolarHBondContact CG2-OE2 3.07Å; T305-E333 PolarHBondContact OG1-OE2 2.8Å; Q329-E333 PolarHBondContact O-N 2.82Å; V330-E333 PolarHBondContact O-N 3.46Å; E333-R335 PolarHBondContact O-N 2.78Å; E333-K336 PolarHBondContact O-N 3.05Å; E333-A337 PolarHBondContact O-N 2.94Å |
| 334 | I | 88.8 | Confident | 80 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 176.2 | -62.3 | 168.1 | 0 | 0 | 0 | 110.4 | M301 V330 T331 K336 A337 V338 L378 F385 I400 | M301-I334 HydrophobicContact CE-CD1 3.54Å; M301-I334 HydrophobicContact CE-CG1 3.65Å; V330-I334 HydrophobicContact CG1-CD1 4.27Å; V330-I334 WeakPolarHBondContact O-CG1 3.46Å; V330-I334 PolarHBondContact O-N 3.04Å; T331-I334 PolarHBondContact O-N 3.4Å; I334-K336 VanDerWaalsContact C-N 3.34Å; I334-K336 PolarHBondContact O-N 3.08Å; I334-A337 WeakPolarHBondContact O-CB 3.48Å; I334-A337 PolarHBondContact O-N 3.38Å; I334-A337 VanDerWaalsContact O-N 3.1Å; I334-V338 HydrophobicContact CG2-CG2 4.17Å; I334-V338 WeakPolarHBondContact O-CG2 3.04Å; I334-V338 PolarHBondContact O-N 3.04Å; I334-L378 HydrophobicContact CG2-CD1 3.67Å; I334-F385 HydrophobicContact CD1-CE2 3.65Å; I334-F385 HydrophobicContact CD1-CZ 4.2Å; I334-I400 HydrophobicContact CB-CD1 4.44Å; I334-I400 HydrophobicContact CG2-CD1 4.12Å |
| 335 | R | 90.8 | Very high | 81.1 | Confident | 60 Ų | 60 | 52.4 Ų | 52.4 | 23% | 0.226 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.2 | -44 | 178.7 | -168 | 174.4 | 64.8 | 105.3 | 2.1 | 112.2 | T331 E332 E333 A337 V338 V339 E399 I400 L403 | T331-R335 PolarHBondContact O-N 3.46Å; E332-R335 IonicContact OE1-CZ 2.81Å; E332-R335 IonicContact OE1-NE 2.79Å; E332-R335 PolarHBondContact OE1-NE 3.12Å; E332-R335 IonicContact OE1-NH2 3.12Å; E332-R335 PolarHBondContact OE1-NH2 3.47Å; E332-R335 IonicContact OE2-NH2 3.7Å; E332-R335 PolarHBondContact OE2-NH2 3.13Å; E333-R335 PolarHBondContact O-N 2.78Å; R335-A337 VanDerWaalsContact C-N 3.32Å; R335-A337 PolarHBondContact O-N 3.35Å; R335-V338 PolarHBondContact O-N 3.42Å; R335-V339 WeakPolarHBondContact O-CB 3.43Å; R335-V339 VanDerWaalsContact O-CG2 3.29Å; R335-V339 WeakPolarHBondContact O-CG2 3.46Å; R335-V339 PolarHBondContact O-N 2.83Å; R335-E399 WeakPolarHBondContact CD-OE1 3.26Å; R335-E399 IonicContact CZ-OE1 2.8Å; R335-E399 IonicContact NE-OE1 3.77Å; R335-E399 IonicContact NH1-OE1 3.46Å; R335-E399 PolarHBondContact NH1-OE1 3.26Å; R335-E399 IonicContact NH1-OE2 2.69Å; R335-I400 HydrophobicContact CB-CD1 3.91Å; R335-I400 HydrophobicContact CB-CG1 3.68Å; R335-I400 HydrophobicContact CG-CD1 4.5Å; R335-I400 HydrophobicContact CG-CG1 3.75Å; R335-L403 HydrophobicContact CG-CD1 4.1Å |
| 336 | K | 89.2 | Confident | 82.2 | Confident | 114 Ų | 114 | 49.9 Ų | 49.9 | 50% | 0.496 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 176.9 | -70.4 | 174.6 | -164.4 | 77 | 0 | 112 | E332 E333 I334 S340 | E332-K336 VanDerWaalsContact O-CG 3.26Å; E332-K336 WeakPolarHBondContact O-CG 3.34Å; E332-K336 PolarHBondContact O-N 2.9Å; E332-K336 PolarHBondContact O-NZ 3.19Å; E332-K336 IonicContact OE2-NZ 2.74Å; E332-K336 PolarHBondContact OE2-NZ 3.35Å; E333-K336 PolarHBondContact O-N 3.05Å; I334-K336 VanDerWaalsContact C-N 3.34Å; I334-K336 PolarHBondContact O-N 3.08Å; K336-S340 WeakPolarHBondContact O-CB 3.5Å; K336-S340 PolarHBondContact O-N 3.41Å; K336-S340 VanDerWaalsContact O-N 3.12Å |
| 337 | A | 86 | Confident | 82.6 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.2 | -49 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L300 E333 I334 R335 V339 S340 S341 | L300-A337 HydrophobicContact CB-CB 4.38Å; L300-A337 HydrophobicContact CD2-CB 4.1Å; L300-A337 WeakPolarHBondContact O-CB 3.4Å; E333-A337 PolarHBondContact O-N 2.94Å; I334-A337 WeakPolarHBondContact O-CB 3.48Å; I334-A337 PolarHBondContact O-N 3.38Å; I334-A337 VanDerWaalsContact O-N 3.1Å; R335-A337 VanDerWaalsContact C-N 3.32Å; R335-A337 PolarHBondContact O-N 3.35Å; A337-V339 PolarHBondContact O-N 2.71Å; A337-S340 CarbonylContact O-C 3.54Å; A337-S340 WeakPolarHBondContact O-CA 3.32Å; A337-S340 WeakPolarHBondContact O-CB 3.46Å; A337-S340 PolarHBondContact O-N 2.98Å; A337-S340 PolarHBondContact O-OG 3.29Å; A337-S341 PolarHBondContact O-N 3.4Å; A337-S341 PolarHBondContact O-OG 3.16Å |
| 338 | V | 88.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56 | -49.2 | 176.4 | 171.2 | 0 | 0 | 0 | 0 | 111 | L300 I334 R335 S340 S341 T342 L378 I400 L404 | L300-V338 HydrophobicContact CD2-CG2 4.06Å; I334-V338 HydrophobicContact CG2-CG2 4.17Å; I334-V338 WeakPolarHBondContact O-CG2 3.04Å; I334-V338 PolarHBondContact O-N 3.04Å; R335-V338 PolarHBondContact O-N 3.42Å; V338-S340 VanDerWaalsContact C-N 3.26Å; V338-S340 PolarHBondContact O-N 3.5Å; V338-S341 PolarHBondContact O-N 2.92Å; V338-T342 HydrophobicContact CG1-CG2 4.19Å; V338-T342 PolarHBondContact O-N 3.49Å; V338-T342 PolarHBondContact O-OG1 2.85Å; V338-L378 HydrophobicContact CG2-CD2 3.74Å; V338-I400 HydrophobicContact CB-CG2 4.45Å; V338-I400 HydrophobicContact CG1-CG2 4.3Å; V338-I400 HydrophobicContact CG2-CG2 4.06Å; V338-L404 HydrophobicContact CG1-CD2 3.66Å; V338-L404 HydrophobicContact CG1-CG 4.07Å |
| 339 | V | 89.3 | Confident | 81.9 | Confident | 52 Ų | 52 | 53 Ų | 53 | 32% | 0.315 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.2 | -36.4 | 175.5 | 171.4 | 0 | 0 | 0 | 0 | 111.8 | R335 A337 S341 T342 N343 L403 | R335-V339 WeakPolarHBondContact O-CB 3.43Å; R335-V339 VanDerWaalsContact O-CG2 3.29Å; R335-V339 WeakPolarHBondContact O-CG2 3.46Å; R335-V339 PolarHBondContact O-N 2.83Å; A337-V339 PolarHBondContact O-N 2.71Å; V339-S341 VanDerWaalsContact C-N 3.35Å; V339-T342 PolarHBondContact O-OG1 3.47Å; V339-N343 WeakPolarHBondContact O-CB 3.46Å; V339-N343 PolarHBondContact O-N 3.07Å; V339-N343 PolarHBondContact O-ND2 3.45Å; V339-L403 HydrophobicContact CG2-CD1 3.75Å; V339-L403 HydrophobicContact CG2-CD2 4.33Å |
| 340 | S | 81.9 | Confident | 81.7 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -71.7 | -29.2 | 175.4 | 81.3 | 0 | 0 | 0 | 0 | 113.4 | K336 A337 V338 T344 | K336-S340 WeakPolarHBondContact O-CB 3.5Å; K336-S340 PolarHBondContact O-N 3.41Å; K336-S340 VanDerWaalsContact O-N 3.12Å; A337-S340 CarbonylContact O-C 3.54Å; A337-S340 WeakPolarHBondContact O-CA 3.32Å; A337-S340 WeakPolarHBondContact O-CB 3.46Å; A337-S340 PolarHBondContact O-N 2.98Å; A337-S340 PolarHBondContact O-OG 3.29Å; V338-S340 VanDerWaalsContact C-N 3.26Å; V338-S340 PolarHBondContact O-N 3.5Å; S340-T344 WeakPolarHBondContact O-CG2 3.46Å; S340-T344 PolarHBondContact O-OG1 2.78Å |
| 341 | S | 80.7 | Confident | 81.5 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -79.9 | -44.4 | 178.8 | -68.3 | 0 | 0 | 0 | 0 | 112.4 | A337 V338 V339 N343 T344 G347 R348 | A337-S341 PolarHBondContact O-N 3.4Å; A337-S341 PolarHBondContact O-OG 3.16Å; V338-S341 PolarHBondContact O-N 2.92Å; V339-S341 VanDerWaalsContact C-N 3.35Å; S341-N343 VanDerWaalsContact C-N 3.27Å; S341-N343 PolarHBondContact O-N 2.92Å; S341-T344 PolarHBondContact O-N 3.38Å; S341-G347 CarbonylContact O-C 3.32Å; S341-G347 WeakPolarHBondContact O-CA 3.33Å; S341-R348 PolarHBondContact O-N 2.82Å; S341-R348 VanDerWaalsContact O-N 3.17Å |
| 342 | T | 79.1 | Confident | 81 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67 | -27.9 | 176.9 | 57.6 | 0 | 0 | 0 | 0 | 112.5 | V338 V339 R348 L351 F352 L404 P407 | V338-T342 HydrophobicContact CG1-CG2 4.19Å; V338-T342 PolarHBondContact O-N 3.49Å; V338-T342 PolarHBondContact O-OG1 2.85Å; V339-T342 PolarHBondContact O-OG1 3.47Å; T342-R348 VanDerWaalsContact O-CZ 3.29Å; T342-R348 PolarHBondContact O-NE 3.39Å; T342-R348 PolarHBondContact O-NH2 2.87Å; T342-L351 HydrophobicContact CG2-CD2 4.27Å; T342-F352 HydrophobicContact CG2-CE2 4.39Å; T342-L404 HydrophobicContact CG2-CD2 4.43Å; T342-P407 HydrophobicContact CG2-CG 4.2Å |
| 343 | N | 77.3 | Confident | 79.9 | Confident | 124 Ų | 124 | 51.3 Ų | 51.3 | 66% | 0.663 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 2.5 | 175.6 | -76.5 | -75.4 | 0 | 0 | 0 | 114.9 | V339 S341 | V339-N343 WeakPolarHBondContact O-CB 3.46Å; V339-N343 PolarHBondContact O-N 3.07Å; V339-N343 PolarHBondContact O-ND2 3.45Å; S341-N343 VanDerWaalsContact C-N 3.27Å; S341-N343 PolarHBondContact O-N 2.92Å |
| 344 | T | 75.4 | Confident | 78.6 | Confident | 69 Ų | 69 | 49.7 Ų | 49.7 | 42% | 0.423 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -131 | 136 | 177.3 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | S340 S341 S346 G347 R348 | S340-T344 WeakPolarHBondContact O-CG2 3.46Å; S340-T344 PolarHBondContact O-OG1 2.78Å; S341-T344 PolarHBondContact O-N 3.38Å; T344-S346 VanDerWaalsContact C-N 3.31Å; T344-S346 PolarHBondContact O-N 3.26Å; T344-G347 WeakPolarHBondContact O-CA 3.2Å; T344-G347 PolarHBondContact O-N 2.95Å; T344-G347 PolarHBondContact OG1-N 2.93Å; T344-R348 PolarHBondContact O-N 3.29Å |
| 345 | S | 70.4 | Confident | 76.2 | Confident | 85 Ų | 85 | 54.5 Ų | 54.5 | 59% | 0.594 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.2 | -43.5 | -179.6 | 58.1 | 0 | 0 | 0 | 0 | 111.9 | G347 R348 R349 | S345-G347 VanDerWaalsContact C-N 3.28Å; S345-G347 PolarHBondContact O-N 2.99Å; S345-R348 PolarHBondContact O-N 2.74Å; S345-R349 WeakPolarHBondContact O-CG 3.34Å; S345-R349 PolarHBondContact O-N 2.78Å |
| 346 | S | 73.9 | Confident | 73.5 | Confident | 73 Ų | 73 | 54.7 Ų | 54.7 | 51% | 0.51 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.3 | -33.2 | 172.6 | -176.4 | 0 | 0 | 0 | 0 | 113.4 | T344 V350 | T344-S346 VanDerWaalsContact C-N 3.31Å; T344-S346 PolarHBondContact O-N 3.26Å; S346-V350 WeakPolarHBondContact O-CG2 3.4Å; S346-V350 PolarHBondContact O-N 3.23Å |
| 347 | G | 76.1 | Confident | 70.7 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 8% | 0.082 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.7 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S341 T344 S345 R349 V350 L351 | S341-G347 CarbonylContact O-C 3.32Å; S341-G347 WeakPolarHBondContact O-CA 3.33Å; T344-G347 WeakPolarHBondContact O-CA 3.2Å; T344-G347 PolarHBondContact O-N 2.95Å; T344-G347 PolarHBondContact OG1-N 2.93Å; S345-G347 VanDerWaalsContact C-N 3.28Å; S345-G347 PolarHBondContact O-N 2.99Å; G347-R349 VanDerWaalsContact C-N 3.33Å; G347-R349 PolarHBondContact O-N 3.17Å; G347-V350 PolarHBondContact O-N 3.48Å; G347-L351 WeakPolarHBondContact O-CB 3.3Å; G347-L351 PolarHBondContact O-N 3.09Å |
| 348 | R | 75.3 | Confident | 68 | Low | 79 Ų | 79 | 58.9 Ų | 58.9 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59 | -40.4 | 173.6 | -65.9 | -175.1 | -171.6 | -165.7 | -1.5 | 112.4 | S341 T342 T344 S345 V350 L351 F352 I424 | S341-R348 PolarHBondContact O-N 2.82Å; S341-R348 VanDerWaalsContact O-N 3.17Å; T342-R348 VanDerWaalsContact O-CZ 3.29Å; T342-R348 PolarHBondContact O-NE 3.39Å; T342-R348 PolarHBondContact O-NH2 2.87Å; T344-R348 PolarHBondContact O-N 3.29Å; S345-R348 PolarHBondContact O-N 2.74Å; R348-V350 VanDerWaalsContact C-N 3.34Å; R348-V350 PolarHBondContact O-N 3.42Å; R348-L351 PolarHBondContact O-N 2.95Å; R348-F352 HydrophobicContact CB-CD2 4.29Å; R348-F352 WeakPolarHBondContact O-CB 3.35Å; R348-F352 PolarHBondContact O-N 3.46Å; R348-I424 VanDerWaalsContact NH1-CD1 3.33Å |
| 349 | R | 73.1 | Confident | 65.3 | Low | 138 Ų | 138 | 66.5 Ų | 66.5 | 52% | 0.521 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 176 | -55.3 | -163.3 | -133.8 | -179.5 | 3.3 | 112.7 | S345 G347 G353 F354 | S345-R349 WeakPolarHBondContact O-CG 3.34Å; S345-R349 PolarHBondContact O-N 2.78Å; G347-R349 VanDerWaalsContact C-N 3.33Å; G347-R349 PolarHBondContact O-N 3.17Å; R349-G353 WeakPolarHBondContact O-CA 3.34Å; R349-G353 PolarHBondContact O-N 3Å; R349-F354 WeakPolarHBondContact CD-O 3.47Å; R349-F354 WeakPolarHBondContact CG-O 3.49Å |
| 350 | V | 78 | Confident | 62.2 | Low | 56 Ų | 56 | 71 Ų | 71 | 34% | 0.339 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -73.9 | -36 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | H299 S346 G347 R348 | H299-V350 HydrophobicContact CB-CG1 4.01Å; S346-V350 WeakPolarHBondContact O-CG2 3.4Å; S346-V350 PolarHBondContact O-N 3.23Å; G347-V350 PolarHBondContact O-N 3.48Å; R348-V350 VanDerWaalsContact C-N 3.34Å; R348-V350 PolarHBondContact O-N 3.42Å |
| 351 | L | 79.7 | Confident | 59.7 | Low | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.021 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -86.8 | -29.7 | -173.8 | -174.2 | 58.9 | 0 | 0 | 0 | 114.3 | L300 T342 G347 R348 C372 L378 L404 | L300-L351 HydrophobicContact CD2-CD1 4.39Å; T342-L351 HydrophobicContact CG2-CD2 4.27Å; G347-L351 WeakPolarHBondContact O-CB 3.3Å; G347-L351 PolarHBondContact O-N 3.09Å; R348-L351 PolarHBondContact O-N 2.95Å; L351-C372 PolarHBondContact O-SG 3.5Å; L351-C372 VanDerWaalsContact O-SG 3.39Å; L351-L378 HydrophobicContact CD1-CD2 4.05Å; L351-L404 HydrophobicContact CD2-CD2 3.77Å; L351-L404 HydrophobicContact CG-CD2 4.45Å |
| 352 | F | 76 | Confident | 57.3 | Low | 0 Ų | 0 | 80.3 Ų | 80.3 | 0% | 0 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -123.7 | -4.2 | -176.6 | -58.5 | -74.1 | 0 | 0 | 0 | 114 | T342 R348 F354 L369 L375 L404 P407 F408 | T342-F352 HydrophobicContact CG2-CE2 4.39Å; R348-F352 HydrophobicContact CB-CD2 4.29Å; R348-F352 WeakPolarHBondContact O-CB 3.35Å; R348-F352 PolarHBondContact O-N 3.46Å; F352-F354 HydrophobicContact CB-CD2 3.62Å; F352-F354 HydrophobicContact CB-CE1 4.49Å; F352-F354 HydrophobicContact CB-CE2 3.23Å; F352-F354 HydrophobicContact CB-CG 4.39Å; F352-F354 HydrophobicContact CB-CZ 3.69Å; F352-F354 HydrophobicContact CD2-CD2 4.45Å; F352-F354 AromaticContact CD2-CE2 3.95Å; F352-F354 HydrophobicContact CD2-CE2 3.95Å; F352-F354 HydrophobicContact CG-CD2 4.4Å; F352-F354 AromaticContact CG-CE2 3.73Å; F352-F354 HydrophobicContact CG-CE2 3.73Å; F352-F354 HydrophobicContact CG-CZ 4.32Å; F352-F354 PolarHBondContact O-N 3.16Å; F352-L369 HydrophobicContact CD1-CD2 4.28Å; F352-L375 HydrophobicContact CD1-CD1 4.07Å; F352-L375 HydrophobicContact CD1-CD2 4.13Å; F352-L375 HydrophobicContact CE1-CD1 3.96Å; F352-L404 HydrophobicContact CE1-CD2 4.26Å; F352-L404 HydrophobicContact CZ-CD2 3.89Å; F352-P407 HydrophobicContact CE2-CG 4.08Å; F352-P407 HydrophobicContact CZ-CG 4.15Å; F352-F408 HydrophobicContact CD1-CE2 4.14Å; F352-F408 AromaticContact CD1-CZ 3.9Å; F352-F408 HydrophobicContact CD1-CZ 3.9Å; F352-F408 HydrophobicContact CD2-CZ 4.48Å; F352-F408 AromaticContact CE1-CE2 3.74Å; F352-F408 HydrophobicContact CE1-CE2 3.74Å; F352-F408 AromaticContact CE1-CZ 3.95Å; F352-F408 HydrophobicContact CE1-CZ 3.95Å; F352-F408 HydrophobicContact CG-CZ 4.18Å; F352-F408 HydrophobicContact CZ-CE2 4.03Å; F352-F408 HydrophobicContact CZ-CZ 4.26Å |
| 353 | G | 63.8 | Low | 54.6 | Low | 34 Ų | 34 | 84.6 Ų | 84.6 | 35% | 0.351 | 49% | 0.492 | S | S | . | . | trans | 83.9 | -3.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | R349 S355 C372 | R349-G353 WeakPolarHBondContact O-CA 3.34Å; R349-G353 PolarHBondContact O-N 3Å; G353-S355 PolarHBondContact O-N 3.21Å; G353-C372 PolarHBondContact N-SG 2.86Å | ||
| 354 | F | 58.6 | Low | 52.4 | Low | 41 Ų | 41 | 87.3 Ų | 87.3 | 18% | 0.18 | 50% | 0.498 | C | S | . | . | trans | -54.8 | 104.7 | -173 | -61.3 | -50.3 | 0 | 0 | 0 | 114.2 | R349 F352 G356 L369 F408 I424 | R349-F354 WeakPolarHBondContact CD-O 3.47Å; R349-F354 WeakPolarHBondContact CG-O 3.49Å; F352-F354 HydrophobicContact CB-CD2 3.62Å; F352-F354 HydrophobicContact CB-CE1 4.49Å; F352-F354 HydrophobicContact CB-CE2 3.23Å; F352-F354 HydrophobicContact CB-CG 4.39Å; F352-F354 HydrophobicContact CB-CZ 3.69Å; F352-F354 HydrophobicContact CD2-CD2 4.45Å; F352-F354 AromaticContact CD2-CE2 3.95Å; F352-F354 HydrophobicContact CD2-CE2 3.95Å; F352-F354 HydrophobicContact CG-CD2 4.4Å; F352-F354 AromaticContact CG-CE2 3.73Å; F352-F354 HydrophobicContact CG-CE2 3.73Å; F352-F354 HydrophobicContact CG-CZ 4.32Å; F352-F354 PolarHBondContact O-N 3.16Å; F354-G356 PolarHBondContact O-N 2.95Å; F354-L369 HydrophobicContact CE1-CD1 3.84Å; F354-L369 HydrophobicContact CZ-CD1 3.95Å; F354-L369 HydrophobicContact CZ-CG 4.44Å; F354-F408 AromaticContact CE2-CE1 3.75Å; F354-F408 HydrophobicContact CE2-CE1 3.75Å; F354-F408 AromaticContact CE2-CZ 3.81Å; F354-F408 HydrophobicContact CE2-CZ 3.81Å; F354-F408 AromaticContact CZ-CE1 3.45Å; F354-F408 HydrophobicContact CZ-CE1 3.45Å; F354-F408 VanDerWaalsContact CZ-CE1 3.45Å; F354-F408 AromaticContact CZ-CZ 3.65Å; F354-F408 HydrophobicContact CZ-CZ 3.65Å; F354-I424 HydrophobicContact CE2-CG2 4.46Å | ||
| 355 | S | 37.4 | Very low | 50.5 | Low | 103 Ų | 103 | 90.1 Ų | 90.1 | 72% | 0.72 | 52% | 0.518 | S | S | * | . | trans | -90.9 | 83.3 | -176 | -168.1 | 0 | 0 | 0 | 0 | 111.5 | G353 S357 | G353-S355 PolarHBondContact O-N 3.21Å; S355-S357 PolarHBondContact O-N 2.92Å | ||
| 356 | G | 35.1 | Very low | 48.9 | Very low | 63 Ų | 63 | 90.1 Ų | 90.1 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | trans | -68.9 | 70.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F354 | F354-G356 PolarHBondContact O-N 2.95Š| ||
| 357 | S | 29.3 | Very low | 47.7 | Very low | 73 Ų | 73 | 88.8 Ų | 88.8 | 51% | 0.51 | 52% | 0.515 | S | S | . | . | trans | -107.3 | 100.7 | -179.6 | -172.1 | 0 | 0 | 0 | 0 | 111.1 | S355 K359 | S355-S357 PolarHBondContact O-N 2.92Å; S357-K359 VanDerWaalsContact C-N 3.29Å; S357-K359 PolarHBondContact O-N 3.29Å | ||
| 358 | E | 30.1 | Very low | 47 | Very low | 144 Ų | 144 | 93 Ų | 93 | 67% | 0.673 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 22.9 | -169.7 | -156.6 | -178.2 | 165.8 | 0 | 0 | 114 | R422 | E358-R422 IonicContact OE1-CZ 3.22Å; E358-R422 IonicContact OE1-NH1 3.64Å; E358-R422 IonicContact OE1-NH2 2.93Å; E358-R422 PolarHBondContact OE1-NH2 2.94Å; E358-R422 IonicContact OE2-CZ 3.83Å; E358-R422 IonicContact OE2-NH1 3.14Å; E358-R422 PolarHBondContact OE2-NH1 3.42Å; E358-R422 IonicContact OE2-NH2 2.69Å; E358-R422 PolarHBondContact OE2-NH2 3.29Å |
| 359 | K | 29.8 | Very low | 46.7 | Very low | 161 Ų | 161 | 89.4 Ų | 89.4 | 70% | 0.7 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.6 | 1.6 | -169.7 | -72.7 | -158 | 171.1 | -162.5 | 0 | 117.8 | S357 | S357-K359 VanDerWaalsContact C-N 3.29Å; S357-K359 PolarHBondContact O-N 3.29Å |
| 360 | F | 26 | Very low | 46.6 | Very low | 145 Ų | 145 | 84.2 Ų | 84.2 | 64% | 0.636 | 51% | 0.505 | S | S | * | . | trans | -124.3 | 83.7 | 175.1 | -71.7 | -76.3 | 0 | 0 | 0 | 111.2 | N362 C363 | F360-N362 PolarHBondContact O-N 3.42Å; F360-C363 PolarHBondContact O-N 3.28Å | ||
| 361 | A | 29.4 | Very low | 46.3 | Very low | 109 Ų | 109 | 88.1 Ų | 88.1 | 90% | 0.901 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 20.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 362 | N | 29.2 | Very low | 46.2 | Very low | 170 Ų | 170 | 88.5 Ų | 88.5 | 91% | 0.909 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.1 | 5.3 | 179.3 | -111.9 | 4.3 | 0 | 0 | 0 | 113.6 | F360 | F360-N362 PolarHBondContact O-N 3.42Š|
| 363 | C | 23.2 | Very low | 46.6 | Very low | 97 Ų | 97 | 91.7 Ų | 91.7 | 66% | 0.655 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -94 | 122.1 | 165.9 | -71 | 0 | 0 | 0 | 0 | 108.9 | F360 | F360-C363 PolarHBondContact O-N 3.28Š|
| 364 | K | 30.4 | Very low | 47.4 | Very low | 182 Ų | 182 | 91.3 Ų | 91.3 | 79% | 0.791 | 53% | 0.525 | S | S | * | . | trans | -58.4 | 136.5 | 166.6 | -73.3 | -177.4 | 176.3 | -179.5 | 0 | 108.5 | S366 | K364-S366 PolarHBondContact O-N 3.24Š| ||
| 365 | P | 35.1 | Very low | 48.8 | Very low | 128 Ų | 128 | 89.4 Ų | 89.4 | 83% | 0.831 | 52% | 0.517 | S | S | * | . | trans | -77.9 | 43.8 | 176.4 | 34.4 | -36.6 | 0 | 0 | 0 | 111.8 | G367 | P365-G367 PolarHBondContact O-N 3.37Š| ||
| 366 | S | 37.3 | Very low | 51.1 | Low | 84 Ų | 84 | 86.5 Ų | 86.5 | 59% | 0.587 | 49% | 0.493 | S | S | * | . | trans | -77.2 | 46.8 | 179.7 | 59.4 | 0 | 0 | 0 | 0 | 112.2 | K364 E368 | K364-S366 PolarHBondContact O-N 3.24Å; S366-E368 PolarHBondContact O-N 3.15Å; S366-E368 VanDerWaalsContact O-N 3.15Å | ||
| 367 | G | 49.6 | Very low | 53.5 | Low | 45 Ų | 45 | 83.5 Ų | 83.5 | 46% | 0.464 | 46% | 0.462 | S | S | . | . | trans | -82.1 | 59.8 | 165 | 0 | 0 | 0 | 0 | 0 | 109.9 | P365 | P365-G367 PolarHBondContact O-N 3.37Š| ||
| 368 | E | 61.3 | Low | 56.3 | Low | 97 Ų | 97 | 80.1 Ų | 80.1 | 45% | 0.453 | 44% | 0.438 | S | S | . | . | trans | -56.8 | 141.1 | 176.8 | -61.5 | 170.2 | -162 | 0 | 0 | 110.6 | S366 S370 H371 | S366-E368 PolarHBondContact O-N 3.15Å; S366-E368 VanDerWaalsContact O-N 3.15Å; E368-S370 WeakPolarHBondContact CB-OG 3.46Å; E368-S370 PolarHBondContact O-N 3.29Å; E368-S370 VanDerWaalsContact O-N 3.13Å; E368-S370 PolarHBondContact OE2-OG 3.45Å; E368-H371 PolarHBondContact O-N 2.88Å; E368-H371 IonicContact OE2-CE1 2.68Å; E368-H371 PolarHBondContact OE2-CE1 3.21Å; E368-H371 IonicContact OE2-ND1 3.84Å; E368-H371 PolarHBondContact OE2-ND1 2.98Å | ||
| 369 | L | 67.9 | Low | 59.1 | Low | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.016 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -60.3 | -27.2 | 179.1 | -77.9 | 70.8 | 0 | 0 | 0 | 112.3 | F352 F354 H371 C372 L375 F408 L427 W434 | F352-L369 HydrophobicContact CD1-CD2 4.28Å; F354-L369 HydrophobicContact CE1-CD1 3.84Å; F354-L369 HydrophobicContact CZ-CD1 3.95Å; F354-L369 HydrophobicContact CZ-CG 4.44Å; L369-H371 PolarHBondContact O-N 2.91Å; L369-C372 WeakPolarHBondContact O-CB 3.48Å; L369-C372 PolarHBondContact O-N 3.38Å; L369-C372 VanDerWaalsContact O-N 3.07Å; L369-L375 HydrophobicContact CB-CD2 4.06Å; L369-L375 HydrophobicContact CD2-CD2 4.22Å; L369-L375 HydrophobicContact CG-CD2 4.37Å; L369-F408 HydrophobicContact CD2-CE2 4.29Å; L369-F408 HydrophobicContact CD2-CZ 3.96Å; L369-L427 HydrophobicContact CD1-CD1 3.6Å; L369-L427 HydrophobicContact CD2-CD1 4.11Å; L369-W434 HydrophobicContact CB-CE3 4.27Å; L369-W434 HydrophobicContact CB-CZ3 4.04Å |
| 370 | S | 70.3 | Confident | 61.8 | Low | 30 Ų | 30 | 67.4 Ų | 67.4 | 21% | 0.21 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -51 | -33.5 | 171.3 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | E368 | E368-S370 WeakPolarHBondContact CB-OG 3.46Å; E368-S370 PolarHBondContact O-N 3.29Å; E368-S370 VanDerWaalsContact O-N 3.13Å; E368-S370 PolarHBondContact OE2-OG 3.45Å |
| 371 | H | 72.1 | Confident | 64.8 | Low | 138 Ų | 138 | 60.5 Ų | 60.5 | 64% | 0.639 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -91.6 | -6.1 | -177.6 | -68.6 | 74.9 | 0 | 0 | 0 | 113.3 | E368 L369 R373 | E368-H371 PolarHBondContact O-N 2.88Å; E368-H371 IonicContact OE2-CE1 2.68Å; E368-H371 PolarHBondContact OE2-CE1 3.21Å; E368-H371 IonicContact OE2-ND1 3.84Å; E368-H371 PolarHBondContact OE2-ND1 2.98Å; L369-H371 PolarHBondContact O-N 2.91Å; H371-R373 PolarHBondContact O-N 2.74Å |
| 372 | C | 79.1 | Confident | 67.7 | Low | 11 Ų | 11 | 55.3 Ų | 55.3 | 7% | 0.074 | 31% | 0.308 | C | S | . | . | trans | -78.5 | 91.1 | -174.5 | -166.6 | 0 | 0 | 0 | 0 | 111.6 | L351 G353 L369 L375 L376 | L351-C372 PolarHBondContact O-SG 3.5Å; L351-C372 VanDerWaalsContact O-SG 3.39Å; G353-C372 PolarHBondContact N-SG 2.86Å; L369-C372 WeakPolarHBondContact O-CB 3.48Å; L369-C372 PolarHBondContact O-N 3.38Å; L369-C372 VanDerWaalsContact O-N 3.07Å; C372-L375 HydrophobicContact CB-CB 3.95Å; C372-L375 WeakPolarHBondContact O-CA 3.09Å; C372-L375 WeakPolarHBondContact O-CB 3.24Å; C372-L375 PolarHBondContact O-N 2.84Å; C372-L376 PolarHBondContact O-N 2.97Å | ||
| 373 | R | 82.5 | Confident | 70.5 | Confident | 67 Ų | 67 | 48.7 Ų | 48.7 | 25% | 0.253 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -52.2 | -39.7 | -175.9 | -168.1 | 61.3 | 177.6 | -172.4 | 2.8 | 115.2 | S291 D296 H371 L375 L376 C377 | S291-R373 PolarHBondContact O-NH2 3.25Å; D296-R373 HydrophobicContact CB-CG 4.22Å; D296-R373 WeakPolarHBondContact OD1-CG 3.09Å; H371-R373 PolarHBondContact O-N 2.74Å; R373-L375 VanDerWaalsContact C-N 3.34Å; R373-L375 PolarHBondContact O-N 2.81Å; R373-L376 PolarHBondContact O-N 2.8Å; R373-C377 WeakPolarHBondContact O-CB 3.42Å; R373-C377 PolarHBondContact O-N 2.78Å; R373-C377 PolarHBondContact O-SG 3.13Å |
| 374 | P | 82.1 | Confident | 73.5 | Confident | 27 Ų | 27 | 46.6 Ų | 46.6 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -36 | 173.1 | -25.7 | 36.9 | 0 | 0 | 0 | 114 | L378 | P374-L378 WeakPolarHBondContact O-CB 3.39Å; P374-L378 PolarHBondContact O-N 3.26Å; P374-L378 VanDerWaalsContact O-N 3.12Å |
| 375 | L | 86.5 | Confident | 76.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.1 | -47.7 | 175.1 | -170.6 | 65.8 | 0 | 0 | 0 | 110.8 | F352 L369 C372 R373 C377 L378 M379 W434 | F352-L375 HydrophobicContact CD1-CD1 4.07Å; F352-L375 HydrophobicContact CD1-CD2 4.13Å; F352-L375 HydrophobicContact CE1-CD1 3.96Å; L369-L375 HydrophobicContact CB-CD2 4.06Å; L369-L375 HydrophobicContact CD2-CD2 4.22Å; L369-L375 HydrophobicContact CG-CD2 4.37Å; C372-L375 HydrophobicContact CB-CB 3.95Å; C372-L375 WeakPolarHBondContact O-CA 3.09Å; C372-L375 WeakPolarHBondContact O-CB 3.24Å; C372-L375 PolarHBondContact O-N 2.84Å; R373-L375 VanDerWaalsContact C-N 3.34Å; R373-L375 PolarHBondContact O-N 2.81Å; L375-C377 PolarHBondContact O-N 3.18Å; L375-L378 PolarHBondContact O-N 3.32Å; L375-L378 VanDerWaalsContact O-N 3.12Å; L375-M379 HydrophobicContact CD1-CE 4.19Å; L375-M379 WeakPolarHBondContact O-CG 3.36Å; L375-M379 PolarHBondContact O-N 3.45Å; L375-W434 HydrophobicContact CD2-CH2 4.48Å; L375-W434 HydrophobicContact CD2-CZ3 4.13Å |
| 376 | L | 85.8 | Confident | 78.8 | Confident | 43 Ų | 43 | 32 Ų | 32 | 23% | 0.225 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.7 | -52.7 | 176.1 | -67.6 | 175.7 | 0 | 0 | 0 | 111.6 | C372 R373 L378 M379 E380 W434 | C372-L376 PolarHBondContact O-N 2.97Å; R373-L376 PolarHBondContact O-N 2.8Å; L376-L378 VanDerWaalsContact C-N 3.26Å; L376-L378 PolarHBondContact O-N 3.16Å; L376-M379 PolarHBondContact O-N 3.17Å; L376-M379 VanDerWaalsContact O-N 3.16Å; L376-E380 PolarHBondContact O-N 2.88Å; L376-W434 HydrophobicContact CD2-CH2 3.73Å; L376-W434 HydrophobicContact CD2-CZ2 3.46Å; L376-W434 VanDerWaalsContact CD2-CZ2 3.46Å |
| 377 | C | 86.4 | Confident | 81 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -32.9 | 179.1 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | I292 V297 R373 L375 L381 | I292-C377 HydrophobicContact CD1-CB 4.49Å; I292-C377 HydrophobicContact CG1-CB 4.34Å; I292-C377 HydrophobicContact CG2-CB 3.99Å; V297-C377 HydrophobicContact CG2-CB 3.82Å; R373-C377 WeakPolarHBondContact O-CB 3.42Å; R373-C377 PolarHBondContact O-N 2.78Å; R373-C377 PolarHBondContact O-SG 3.13Å; L375-C377 PolarHBondContact O-N 3.18Å; C377-L381 VanDerWaalsContact O-CG 3.29Å; C377-L381 WeakPolarHBondContact O-CG 3.47Å; C377-L381 PolarHBondContact O-N 3.47Å |
| 378 | L | 89 | Confident | 82.6 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.4 | -40.2 | 173.9 | 179.9 | 57.9 | 0 | 0 | 0 | 111.9 | L300 I334 V338 L351 P374 L375 L376 L381 L382 L404 | L300-L378 HydrophobicContact CD1-CB 4.19Å; L300-L378 HydrophobicContact CD1-CD1 4.16Å; L300-L378 HydrophobicContact CD1-CD2 4.07Å; L300-L378 HydrophobicContact CD1-CG 4.37Å; I334-L378 HydrophobicContact CG2-CD1 3.67Å; V338-L378 HydrophobicContact CG2-CD2 3.74Å; L351-L378 HydrophobicContact CD1-CD2 4.05Å; P374-L378 WeakPolarHBondContact O-CB 3.39Å; P374-L378 PolarHBondContact O-N 3.26Å; P374-L378 VanDerWaalsContact O-N 3.12Å; L375-L378 PolarHBondContact O-N 3.32Å; L375-L378 VanDerWaalsContact O-N 3.12Å; L376-L378 VanDerWaalsContact C-N 3.26Å; L376-L378 PolarHBondContact O-N 3.16Å; L378-L381 PolarHBondContact O-N 3.4Å; L378-L382 HydrophobicContact CD1-CD1 4.21Å; L378-L382 HydrophobicContact CD1-CG 4.11Å; L378-L382 HydrophobicContact CG-CD1 4.11Å; L378-L382 HydrophobicContact CG-CG 4.43Å; L378-L382 WeakPolarHBondContact O-CB 3.45Å; L378-L382 VanDerWaalsContact O-CG 3.26Å; L378-L382 WeakPolarHBondContact O-CG 3.27Å; L378-L382 PolarHBondContact O-N 3.49Å; L378-L404 HydrophobicContact CD2-CD1 3.87Å; L378-L404 HydrophobicContact CD2-CD2 4.39Å |
| 379 | M | 88.2 | Confident | 83.6 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 177.7 | -67.7 | -54.8 | 93.2 | 0 | 0 | 111.1 | L375 L376 L381 L382 K383 L404 F435 L439 | L375-M379 HydrophobicContact CD1-CE 4.19Å; L375-M379 WeakPolarHBondContact O-CG 3.36Å; L375-M379 PolarHBondContact O-N 3.45Å; L376-M379 PolarHBondContact O-N 3.17Å; L376-M379 VanDerWaalsContact O-N 3.16Å; M379-L381 PolarHBondContact O-N 3.39Å; M379-L382 HydrophobicContact CE-CD1 3.67Å; M379-L382 PolarHBondContact O-N 2.88Å; M379-L382 VanDerWaalsContact O-N 3.11Å; M379-K383 WeakPolarHBondContact O-CG 3.14Å; M379-K383 PolarHBondContact O-N 3.23Å; M379-L404 HydrophobicContact CE-CD1 3.39Å; M379-F435 HydrophobicContact SD-CE2 4.35Å; M379-L439 HydrophobicContact SD-CD2 3.9Å |
| 380 | E | 86.6 | Confident | 84.4 | Confident | 35 Ų | 35 | 37.9 Ų | 37.9 | 16% | 0.164 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 176.2 | -74.4 | -65.2 | 108.6 | 0 | 0 | 112.3 | T287 A290 I292 L376 L382 K383 I384 | T287-E380 HydrophobicContact CG2-CB 4.42Å; T287-E380 PolarHBondContact OG1-OE2 3.04Å; A290-E380 HydrophobicContact CB-CG 4.36Å; I292-E380 HydrophobicContact CD1-CB 4.04Å; L376-E380 PolarHBondContact O-N 2.88Å; E380-L382 VanDerWaalsContact C-N 3.34Å; E380-L382 PolarHBondContact O-N 3.32Å; E380-K383 PolarHBondContact O-N 3.45Å; E380-I384 WeakPolarHBondContact O-CG1 3.39Å; E380-I384 PolarHBondContact O-N 3.35Å; E380-I384 VanDerWaalsContact O-N 3.15Å |
| 381 | L | 87.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62 | -39.8 | 173.7 | -74.2 | 175.8 | 0 | 0 | 0 | 112.4 | I285 I292 V297 M301 L309 F313 C377 L378 M379 I384 F385 | I285-L381 HydrophobicContact CD1-CD2 4.47Å; I292-L381 HydrophobicContact CD1-CD2 4.11Å; I292-L381 HydrophobicContact CD1-CG 3.92Å; V297-L381 HydrophobicContact CG1-CD1 4.21Å; M301-L381 HydrophobicContact CE-CD1 4.41Å; L309-L381 HydrophobicContact CD2-CD1 4.38Å; L309-L381 HydrophobicContact CD2-CD2 3.99Å; F313-L381 HydrophobicContact CE2-CD2 4.15Å; C377-L381 VanDerWaalsContact O-CG 3.29Å; C377-L381 WeakPolarHBondContact O-CG 3.47Å; C377-L381 PolarHBondContact O-N 3.47Å; L378-L381 PolarHBondContact O-N 3.4Å; M379-L381 PolarHBondContact O-N 3.39Å; L381-I384 PolarHBondContact O-N 2.95Å; L381-F385 HydrophobicContact CB-CD2 4.32Å; L381-F385 HydrophobicContact CB-CE2 4Å; L381-F385 WeakPolarHBondContact O-CB 3.34Å; L381-F385 WeakPolarHBondContact O-CD2 3.03Å; L381-F385 VanDerWaalsContact O-CG 3.27Å; L381-F385 WeakPolarHBondContact O-CG 3.3Å; L381-F385 PolarHBondContact O-N 2.82Å |
| 382 | L | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.1 | -38.9 | 178.3 | -70.4 | 175.4 | 0 | 0 | 0 | 112.7 | L378 M379 E380 I384 F385 V386 I400 L404 M442 | L378-L382 HydrophobicContact CD1-CD1 4.21Å; L378-L382 HydrophobicContact CD1-CG 4.11Å; L378-L382 HydrophobicContact CG-CD1 4.11Å; L378-L382 HydrophobicContact CG-CG 4.43Å; L378-L382 WeakPolarHBondContact O-CB 3.45Å; L378-L382 VanDerWaalsContact O-CG 3.26Å; L378-L382 WeakPolarHBondContact O-CG 3.27Å; L378-L382 PolarHBondContact O-N 3.49Å; M379-L382 HydrophobicContact CE-CD1 3.67Å; M379-L382 PolarHBondContact O-N 2.88Å; M379-L382 VanDerWaalsContact O-N 3.11Å; E380-L382 VanDerWaalsContact C-N 3.34Å; E380-L382 PolarHBondContact O-N 3.32Å; L382-I384 PolarHBondContact O-N 2.9Å; L382-F385 PolarHBondContact O-N 3.28Å; L382-V386 WeakPolarHBondContact O-CB 3.29Å; L382-V386 WeakPolarHBondContact O-CG2 3.29Å; L382-V386 PolarHBondContact O-N 2.91Å; L382-I400 HydrophobicContact CD1-CB 4.31Å; L382-I400 HydrophobicContact CD1-CG2 3.74Å; L382-I400 HydrophobicContact CD2-CB 3.91Å; L382-I400 HydrophobicContact CD2-CD1 3.93Å; L382-I400 HydrophobicContact CD2-CG2 3.93Å; L382-I400 HydrophobicContact CG-CG2 4.43Å; L382-L404 HydrophobicContact CD1-CD1 4.19Å; L382-M442 HydrophobicContact CB-CE 3.71Å; L382-M442 HydrophobicContact CB-SD 4.16Å |
| 383 | K | 88.8 | Confident | 86.6 | Confident | 31 Ų | 31 | 35.9 Ų | 35.9 | 14% | 0.135 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -35.2 | 172.9 | -71.5 | -174.8 | -173.1 | -167.4 | 0 | 111.8 | M379 E380 R387 Q438 D441 M442 | M379-K383 WeakPolarHBondContact O-CG 3.14Å; M379-K383 PolarHBondContact O-N 3.23Å; E380-K383 PolarHBondContact O-N 3.45Å; K383-R387 WeakPolarHBondContact O-CG 3.49Å; K383-Q438 WeakPolarHBondContact CE-O 3.45Å; K383-D441 HydrophobicContact CD-CB 4.43Å; K383-D441 WeakPolarHBondContact CE-OD2 3.19Å; K383-D441 IonicContact NZ-OD2 3.88Å; K383-D441 PolarHBondContact NZ-OD2 3.37Å; K383-M442 HydrophobicContact CG-CG 4.4Å |
| 384 | I | 85.6 | Confident | 87 | Confident | 52 Ų | 52 | 32.7 Ų | 32.7 | 27% | 0.267 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -73.4 | -49 | 173.9 | -64.8 | 165.6 | 0 | 0 | 0 | 111.1 | T287 F313 E380 L381 L382 V386 R387 D388 | T287-I384 HydrophobicContact CG2-CD1 3.53Å; F313-I384 HydrophobicContact CE1-CG2 3.53Å; F313-I384 HydrophobicContact CZ-CG2 3.68Å; E380-I384 WeakPolarHBondContact O-CG1 3.39Å; E380-I384 PolarHBondContact O-N 3.35Å; E380-I384 VanDerWaalsContact O-N 3.15Å; L381-I384 PolarHBondContact O-N 2.95Å; L382-I384 PolarHBondContact O-N 2.9Å; I384-V386 VanDerWaalsContact C-N 3.3Å; I384-V386 PolarHBondContact O-N 3.31Å; I384-R387 PolarHBondContact O-N 3.02Å; I384-D388 PolarHBondContact O-N 3.09Å |
| 385 | F | 88.1 | Confident | 87.5 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.6 | -29.9 | -179.9 | -69.7 | -44.1 | 0 | 0 | 0 | 113.9 | L309 F313 I327 T331 I334 L381 L382 R387 D388 V393 | L309-F385 HydrophobicContact CD1-CE1 3.93Å; L309-F385 HydrophobicContact CD1-CZ 3.78Å; L309-F385 HydrophobicContact CD2-CZ 4.29Å; F313-F385 HydrophobicContact CZ-CE1 4.4Å; I327-F385 HydrophobicContact CG2-CD1 4.23Å; I327-F385 HydrophobicContact CG2-CE1 3.89Å; T331-F385 HydrophobicContact CG2-CD2 4.42Å; I334-F385 HydrophobicContact CD1-CE2 3.65Å; I334-F385 HydrophobicContact CD1-CZ 4.2Å; L381-F385 HydrophobicContact CB-CD2 4.32Å; L381-F385 HydrophobicContact CB-CE2 4Å; L381-F385 WeakPolarHBondContact O-CB 3.34Å; L381-F385 WeakPolarHBondContact O-CD2 3.03Å; L381-F385 VanDerWaalsContact O-CG 3.27Å; L381-F385 WeakPolarHBondContact O-CG 3.3Å; L381-F385 PolarHBondContact O-N 2.82Å; L382-F385 PolarHBondContact O-N 3.28Å; F385-R387 PolarHBondContact O-N 2.9Å; F385-D388 WeakPolarHBondContact O-CB 3.38Å; F385-D388 PolarHBondContact O-N 3.31Å; F385-V393 HydrophobicContact CB-CG1 3.7Å; F385-V393 HydrophobicContact CD1-CG1 3.8Å; F385-V393 HydrophobicContact CG-CG1 4.03Å; F385-V393 WeakPolarHBondContact O-CG1 3.32Å |
| 386 | V | 88 | Confident | 87.8 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.1 | -36.3 | 171.7 | 162.2 | 0 | 0 | 0 | 0 | 111.3 | L382 I384 D388 S397 L398 M442 F445 | L382-V386 WeakPolarHBondContact O-CB 3.29Å; L382-V386 WeakPolarHBondContact O-CG2 3.29Å; L382-V386 PolarHBondContact O-N 2.91Å; I384-V386 VanDerWaalsContact C-N 3.3Å; I384-V386 PolarHBondContact O-N 3.31Å; V386-D388 VanDerWaalsContact C-N 3.27Å; V386-D388 PolarHBondContact O-N 3.01Å; V386-S397 WeakPolarHBondContact CG2-OG 3.47Å; V386-L398 HydrophobicContact CG2-CD2 4Å; V386-L398 HydrophobicContact CG2-CG 4.26Å; V386-M442 HydrophobicContact CG2-CB 4.23Å; V386-M442 HydrophobicContact CG2-CE 3.35Å; V386-M442 HydrophobicContact CG2-CG 4.13Å; V386-F445 HydrophobicContact CG1-CB 3.84Å; V386-F445 HydrophobicContact CG1-CD1 3.23Å; V386-F445 HydrophobicContact CG1-CD2 4.48Å; V386-F445 HydrophobicContact CG1-CE1 3.86Å; V386-F445 HydrophobicContact CG1-CG 3.6Å; V386-F445 WeakPolarHBondContact O-CE1 3.31Å; V386-F445 WeakPolarHBondContact O-CZ 3.46Å |
| 387 | R | 84.1 | Confident | 88.2 | Confident | 170 Ų | 170 | 32.3 Ų | 32.3 | 64% | 0.642 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 6.3 | -179.5 | -62.5 | 176.5 | 179.3 | -173.1 | 0.1 | 113.6 | K383 I384 F385 F445 | K383-R387 WeakPolarHBondContact O-CG 3.49Å; I384-R387 PolarHBondContact O-N 3.02Å; F385-R387 PolarHBondContact O-N 2.9Å; R387-F445 HydrophobicContact CB-CE2 4.4Å; R387-F445 HydrophobicContact CG-CD2 4.04Å; R387-F445 HydrophobicContact CG-CE2 4Å |
| 388 | D | 84.3 | Confident | 88.5 | Confident | 28 Ų | 28 | 32.3 Ų | 32.3 | 15% | 0.15 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -70.2 | 155.4 | 177 | -155.5 | -62.8 | 0 | 0 | 0 | 112.1 | I327 I384 F385 V386 D390 V393 | I327-D388 WeakPolarHBondContact CD1-OD2 3.4Å; I384-D388 PolarHBondContact O-N 3.09Å; F385-D388 WeakPolarHBondContact O-CB 3.38Å; F385-D388 PolarHBondContact O-N 3.31Å; V386-D388 VanDerWaalsContact C-N 3.27Å; V386-D388 PolarHBondContact O-N 3.01Å; D388-D390 PolarHBondContact OD1-N 3.5Å; D388-V393 HydrophobicContact CB-CB 4.17Å; D388-V393 HydrophobicContact CB-CG1 3.79Å |
| 389 | S | 81.4 | Confident | 88.8 | Confident | 113 Ų | 113 | 36.3 Ų | 36.3 | 79% | 0.79 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -65.6 | -33.9 | 171.8 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | L391 | S389-L391 PolarHBondContact O-N 3.27Š|
| 390 | D | 86 | Confident | 89 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 23% | 0.225 | 18% | 0.184 | C | C | . | . | trans | -79.6 | 123.1 | -178.2 | 176.8 | 36.5 | 0 | 0 | 0 | 112.5 | D388 N392 V393 T394 | D388-D390 PolarHBondContact OD1-N 3.5Å; D390-N392 VanDerWaalsContact CG-N 3.32Å; D390-N392 PolarHBondContact O-N 3.01Å; D390-N392 PolarHBondContact OD1-N 3.05Å; D390-N392 VanDerWaalsContact OD1-N 3.07Å; D390-N392 PolarHBondContact OD1-ND2 3.2Å; D390-N392 VanDerWaalsContact OD2-CB 3.24Å; D390-N392 WeakPolarHBondContact OD2-CB 3.5Å; D390-N392 PolarHBondContact OD2-N 2.83Å; D390-N392 PolarHBondContact OD2-ND2 3.48Å; D390-V393 HydrophobicContact CB-CB 4.24Å; D390-V393 HydrophobicContact CB-CG2 3.98Å; D390-V393 PolarHBondContact O-N 2.94Å; D390-V393 PolarHBondContact OD2-N 3.12Å; D390-T394 PolarHBondContact O-N 3.36Å; D390-T394 PolarHBondContact O-OG1 3.45Å; D390-T394 VanDerWaalsContact O-OG1 3.05Å | ||
| 391 | L | 88.8 | Confident | 89.4 | Confident | 53 Ų | 53 | 34.5 Ų | 34.5 | 28% | 0.277 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -55.3 | -35.6 | 173.7 | 179 | 59.8 | 0 | 0 | 0 | 112.8 | S389 T394 L395 V454 | S389-L391 PolarHBondContact O-N 3.27Å; L391-T394 PolarHBondContact O-N 3.14Å; L391-L395 HydrophobicContact CD1-CD1 3.81Å; L391-L395 HydrophobicContact CD1-CD2 4.49Å; L391-L395 HydrophobicContact CD1-CG 3.86Å; L391-L395 HydrophobicContact CG-CD1 3.86Å; L391-L395 HydrophobicContact CG-CG 4.3Å; L391-L395 WeakPolarHBondContact O-CB 3.43Å; L391-L395 VanDerWaalsContact O-CG 3.29Å; L391-L395 WeakPolarHBondContact O-CG 3.39Å; L391-L395 PolarHBondContact O-N 3.28Å; L391-V454 HydrophobicContact CD1-CG2 3.43Å; L391-V454 VanDerWaalsContact CD1-CG2 3.43Å |
| 392 | N | 89.1 | Confident | 89.6 | Confident | 83 Ų | 83 | 35.8 Ų | 35.8 | 44% | 0.444 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -73.8 | -38.9 | -177.7 | -46.8 | -84.9 | 0 | 0 | 0 | 111.1 | H328 D390 C396 | H328-N392 HydrophobicContact CB-CB 4.27Å; D390-N392 VanDerWaalsContact CG-N 3.32Å; D390-N392 PolarHBondContact O-N 3.01Å; D390-N392 PolarHBondContact OD1-N 3.05Å; D390-N392 VanDerWaalsContact OD1-N 3.07Å; D390-N392 PolarHBondContact OD1-ND2 3.2Å; D390-N392 VanDerWaalsContact OD2-CB 3.24Å; D390-N392 WeakPolarHBondContact OD2-CB 3.5Å; D390-N392 PolarHBondContact OD2-N 2.83Å; D390-N392 PolarHBondContact OD2-ND2 3.48Å; N392-C396 WeakPolarHBondContact O-CB 3.34Å; N392-C396 PolarHBondContact O-N 3.11Å |
| 393 | V | 89.8 | Confident | 89.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.9 | -49.9 | 167.3 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | I327 H328 F385 D388 D390 L395 C396 S397 | I327-V393 HydrophobicContact CB-CG2 3.91Å; I327-V393 HydrophobicContact CG2-CG1 4.34Å; I327-V393 HydrophobicContact CG2-CG2 3.8Å; H328-V393 HydrophobicContact CB-CG2 3.74Å; F385-V393 HydrophobicContact CB-CG1 3.7Å; F385-V393 HydrophobicContact CD1-CG1 3.8Å; F385-V393 HydrophobicContact CG-CG1 4.03Å; F385-V393 WeakPolarHBondContact O-CG1 3.32Å; D388-V393 HydrophobicContact CB-CB 4.17Å; D388-V393 HydrophobicContact CB-CG1 3.79Å; D390-V393 HydrophobicContact CB-CB 4.24Å; D390-V393 HydrophobicContact CB-CG2 3.98Å; D390-V393 PolarHBondContact O-N 2.94Å; D390-V393 PolarHBondContact OD2-N 3.12Å; V393-L395 PolarHBondContact O-N 3.45Å; V393-C396 PolarHBondContact O-N 2.82Å; V393-S397 WeakPolarHBondContact O-CB 3.22Å; V393-S397 PolarHBondContact O-N 3.12Å; V393-S397 PolarHBondContact O-OG 3.43Å |
| 394 | T | 90.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.7 | -53.7 | 177.8 | -46.4 | 0 | 0 | 0 | 0 | 111.3 | D390 L391 C396 S397 L398 F445 V454 | D390-T394 PolarHBondContact O-N 3.36Å; D390-T394 PolarHBondContact O-OG1 3.45Å; D390-T394 VanDerWaalsContact O-OG1 3.05Å; L391-T394 PolarHBondContact O-N 3.14Å; T394-C396 PolarHBondContact O-N 2.78Å; T394-S397 PolarHBondContact O-N 3.09Å; T394-S397 PolarHBondContact O-OG 3.45Å; T394-L398 HydrophobicContact CG2-CD1 4.29Å; T394-L398 WeakPolarHBondContact O-CG 3.37Å; T394-L398 PolarHBondContact O-N 3.19Å; T394-L398 VanDerWaalsContact O-N 3.16Å; T394-F445 HydrophobicContact CG2-CE1 4.42Å; T394-V454 HydrophobicContact CG2-CG1 3.92Å; T394-V454 HydrophobicContact CG2-CG2 4.26Å |
| 395 | L | 93.3 | Very high | 89.7 | Confident | 53 Ų | 53 | 32.9 Ų | 32.9 | 28% | 0.277 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -65.3 | -40.3 | -177.6 | -70.3 | 173.8 | 0 | 0 | 0 | 112.6 | L391 V393 L398 E399 D453 V454 A457 | L391-L395 HydrophobicContact CD1-CD1 3.81Å; L391-L395 HydrophobicContact CD1-CD2 4.49Å; L391-L395 HydrophobicContact CD1-CG 3.86Å; L391-L395 HydrophobicContact CG-CD1 3.86Å; L391-L395 HydrophobicContact CG-CG 4.3Å; L391-L395 WeakPolarHBondContact O-CB 3.43Å; L391-L395 VanDerWaalsContact O-CG 3.29Å; L391-L395 WeakPolarHBondContact O-CG 3.39Å; L391-L395 PolarHBondContact O-N 3.28Å; V393-L395 PolarHBondContact O-N 3.45Å; L395-L398 PolarHBondContact O-N 3.18Å; L395-E399 PolarHBondContact O-N 2.94Å; L395-D453 HydrophobicContact CD2-CB 4.5Å; L395-V454 HydrophobicContact CD2-CG2 4.22Å; L395-A457 HydrophobicContact CD2-CB 3.95Å |
| 396 | C | 92.7 | Very high | 89.6 | Confident | 9 Ų | 9 | 37.7 Ų | 37.7 | 6% | 0.061 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.1 | -38.8 | 178.1 | -171 | 0 | 0 | 0 | 0 | 111.5 | T331 N392 V393 T394 E399 I400 | T331-C396 HydrophobicContact CG2-CB 3.92Å; N392-C396 WeakPolarHBondContact O-CB 3.34Å; N392-C396 PolarHBondContact O-N 3.11Å; V393-C396 PolarHBondContact O-N 2.82Å; T394-C396 PolarHBondContact O-N 2.78Å; C396-E399 PolarHBondContact O-N 3.34Å; C396-I400 VanDerWaalsContact O-CG1 3.25Å; C396-I400 WeakPolarHBondContact O-CG1 3.37Å; C396-I400 PolarHBondContact O-N 2.93Å |
| 397 | S | 93 | Very high | 89 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.6 | -39.5 | 176.4 | 68.4 | 0 | 0 | 0 | 0 | 113.1 | V386 V393 T394 I400 A401 | V386-S397 WeakPolarHBondContact CG2-OG 3.47Å; V393-S397 WeakPolarHBondContact O-CB 3.22Å; V393-S397 PolarHBondContact O-N 3.12Å; V393-S397 PolarHBondContact O-OG 3.43Å; T394-S397 PolarHBondContact O-N 3.09Å; T394-S397 PolarHBondContact O-OG 3.45Å; S397-I400 PolarHBondContact O-N 2.97Å; S397-A401 PolarHBondContact O-N 2.91Å |
| 398 | L | 94.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.8 | -34.8 | 173.1 | -66.4 | 170.4 | 0 | 0 | 0 | 112.4 | V386 T394 L395 T402 M442 A446 V454 A457 L461 | V386-L398 HydrophobicContact CG2-CD2 4Å; V386-L398 HydrophobicContact CG2-CG 4.26Å; T394-L398 HydrophobicContact CG2-CD1 4.29Å; T394-L398 WeakPolarHBondContact O-CG 3.37Å; T394-L398 PolarHBondContact O-N 3.19Å; T394-L398 VanDerWaalsContact O-N 3.16Å; L395-L398 PolarHBondContact O-N 3.18Å; L398-T402 WeakPolarHBondContact O-CB 3.12Å; L398-T402 PolarHBondContact O-N 2.91Å; L398-T402 PolarHBondContact O-OG1 3.47Å; L398-M442 HydrophobicContact CD2-CB 4.22Å; L398-M442 HydrophobicContact CD2-CE 4.39Å; L398-A446 HydrophobicContact CD1-CB 3.8Å; L398-A446 HydrophobicContact CD2-CB 4.01Å; L398-V454 HydrophobicContact CD1-CG1 3.99Å; L398-A457 HydrophobicContact CB-CB 4.04Å; L398-A457 HydrophobicContact CD1-CB 3.73Å; L398-L461 HydrophobicContact CD2-CD2 3.86Å |
| 399 | E | 94.1 | Very high | 88.2 | Confident | 85 Ų | 85 | 31.2 Ų | 31.2 | 40% | 0.397 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.5 | -43.8 | 171.1 | -164.3 | -170.5 | 129.1 | 0 | 0 | 111.2 | R335 L395 C396 A401 T402 L403 | R335-E399 WeakPolarHBondContact CD-OE1 3.26Å; R335-E399 IonicContact CZ-OE1 2.8Å; R335-E399 IonicContact NE-OE1 3.77Å; R335-E399 IonicContact NH1-OE1 3.46Å; R335-E399 PolarHBondContact NH1-OE1 3.26Å; R335-E399 IonicContact NH1-OE2 2.69Å; L395-E399 PolarHBondContact O-N 2.94Å; C396-E399 PolarHBondContact O-N 3.34Å; E399-A401 PolarHBondContact O-N 2.97Å; E399-T402 PolarHBondContact O-N 3.49Å; E399-L403 HydrophobicContact CG-CD1 4.05Å; E399-L403 WeakPolarHBondContact O-CB 3.33Å; E399-L403 WeakPolarHBondContact O-CD1 3.45Å; E399-L403 VanDerWaalsContact O-CG 3.27Å; E399-L403 WeakPolarHBondContact O-CG 3.47Å; E399-L403 PolarHBondContact O-N 3.08Å |
| 400 | I | 93.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | 176.7 | -65.3 | 161.3 | 0 | 0 | 0 | 110.9 | T331 I334 R335 V338 L382 C396 S397 T402 L403 L404 | T331-I400 HydrophobicContact CG2-CD1 3.9Å; I334-I400 HydrophobicContact CB-CD1 4.44Å; I334-I400 HydrophobicContact CG2-CD1 4.12Å; R335-I400 HydrophobicContact CB-CD1 3.91Å; R335-I400 HydrophobicContact CB-CG1 3.68Å; R335-I400 HydrophobicContact CG-CD1 4.5Å; R335-I400 HydrophobicContact CG-CG1 3.75Å; V338-I400 HydrophobicContact CB-CG2 4.45Å; V338-I400 HydrophobicContact CG1-CG2 4.3Å; V338-I400 HydrophobicContact CG2-CG2 4.06Å; L382-I400 HydrophobicContact CD1-CB 4.31Å; L382-I400 HydrophobicContact CD1-CG2 3.74Å; L382-I400 HydrophobicContact CD2-CB 3.91Å; L382-I400 HydrophobicContact CD2-CD1 3.93Å; L382-I400 HydrophobicContact CD2-CG2 3.93Å; L382-I400 HydrophobicContact CG-CG2 4.43Å; C396-I400 VanDerWaalsContact O-CG1 3.25Å; C396-I400 WeakPolarHBondContact O-CG1 3.37Å; C396-I400 PolarHBondContact O-N 2.93Å; S397-I400 PolarHBondContact O-N 2.97Å; I400-T402 VanDerWaalsContact C-N 3.33Å; I400-T402 PolarHBondContact O-N 3.22Å; I400-L403 WeakPolarHBondContact O-CB 3.39Å; I400-L403 PolarHBondContact O-N 2.91Å; I400-L403 VanDerWaalsContact O-N 3.15Å; I400-L404 HydrophobicContact CG2-CD1 4.11Å; I400-L404 WeakPolarHBondContact O-CG 3.26Å; I400-L404 PolarHBondContact O-N 2.9Å |
| 401 | A | 94.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | S397 E399 L403 L404 L439 M442 L461 | S397-A401 PolarHBondContact O-N 2.91Å; E399-A401 PolarHBondContact O-N 2.97Å; A401-L403 VanDerWaalsContact C-N 3.25Å; A401-L403 PolarHBondContact O-N 3.23Å; A401-L404 PolarHBondContact O-N 3.33Å; A401-L404 VanDerWaalsContact O-N 3.08Å; A401-L439 HydrophobicContact CB-CD2 3.88Å; A401-M442 HydrophobicContact CB-CE 3.71Å; A401-M442 HydrophobicContact CB-SD 4Å; A401-L461 HydrophobicContact CB-CD1 3.71Å; A401-L461 HydrophobicContact CB-CD2 4.01Å |
| 402 | T | 92.1 | Very high | 82.2 | Confident | 27 Ų | 27 | 38.6 Ų | 38.6 | 17% | 0.166 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.2 | -28.7 | 177.5 | -52.2 | 0 | 0 | 0 | 0 | 112.6 | L398 E399 I400 T405 A464 | L398-T402 WeakPolarHBondContact O-CB 3.12Å; L398-T402 PolarHBondContact O-N 2.91Å; L398-T402 PolarHBondContact O-OG1 3.47Å; E399-T402 PolarHBondContact O-N 3.49Å; I400-T402 VanDerWaalsContact C-N 3.33Å; I400-T402 PolarHBondContact O-N 3.22Å; T402-T405 PolarHBondContact O-OG1 2.66Å; T402-A464 HydrophobicContact CG2-CB 3.92Å |
| 403 | L | 90.8 | Very high | 79.2 | Confident | 23 Ų | 23 | 39.9 Ų | 39.9 | 12% | 0.12 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -77 | -19.2 | 175.3 | -74 | 161.6 | 0 | 0 | 0 | 113.3 | R335 V339 E399 I400 A401 | R335-L403 HydrophobicContact CG-CD1 4.1Å; V339-L403 HydrophobicContact CG2-CD1 3.75Å; V339-L403 HydrophobicContact CG2-CD2 4.33Å; E399-L403 HydrophobicContact CG-CD1 4.05Å; E399-L403 WeakPolarHBondContact O-CB 3.33Å; E399-L403 WeakPolarHBondContact O-CD1 3.45Å; E399-L403 VanDerWaalsContact O-CG 3.27Å; E399-L403 WeakPolarHBondContact O-CG 3.47Å; E399-L403 PolarHBondContact O-N 3.08Å; I400-L403 WeakPolarHBondContact O-CB 3.39Å; I400-L403 PolarHBondContact O-N 2.91Å; I400-L403 VanDerWaalsContact O-N 3.15Å; A401-L403 VanDerWaalsContact C-N 3.25Å; A401-L403 PolarHBondContact O-N 3.23Å |
| 404 | L | 89.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -87 | -21 | -178.9 | -70.2 | 166.6 | 0 | 0 | 0 | 113.5 | V338 T342 L351 F352 L378 M379 L382 I400 A401 P407 F435 | V338-L404 HydrophobicContact CG1-CD2 3.66Å; V338-L404 HydrophobicContact CG1-CG 4.07Å; T342-L404 HydrophobicContact CG2-CD2 4.43Å; L351-L404 HydrophobicContact CD2-CD2 3.77Å; L351-L404 HydrophobicContact CG-CD2 4.45Å; F352-L404 HydrophobicContact CE1-CD2 4.26Å; F352-L404 HydrophobicContact CZ-CD2 3.89Å; L378-L404 HydrophobicContact CD2-CD1 3.87Å; L378-L404 HydrophobicContact CD2-CD2 4.39Å; M379-L404 HydrophobicContact CE-CD1 3.39Å; L382-L404 HydrophobicContact CD1-CD1 4.19Å; I400-L404 HydrophobicContact CG2-CD1 4.11Å; I400-L404 WeakPolarHBondContact O-CG 3.26Å; I400-L404 PolarHBondContact O-N 2.9Å; A401-L404 PolarHBondContact O-N 3.33Å; A401-L404 VanDerWaalsContact O-N 3.08Å; L404-P407 WeakPolarHBondContact O-CD 3.2Å; L404-F435 HydrophobicContact CB-CZ 4.1Å |
| 405 | T | 87.1 | Confident | 72.9 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -77.6 | -29.5 | 171.9 | 66.5 | 0 | 0 | 0 | 0 | 112.6 | T402 F408 Q409 F435 L439 A464 V465 L468 | T402-T405 PolarHBondContact O-OG1 2.66Å; T405-F408 PolarHBondContact O-N 3.19Å; T405-Q409 PolarHBondContact OG1-NE2 2.87Å; T405-F435 HydrophobicContact CG2-CE1 4.05Å; T405-L439 HydrophobicContact CG2-CD1 3.78Å; T405-A464 WeakPolarHBondContact OG1-CB 3.36Å; T405-V465 HydrophobicContact CG2-CG2 4.08Å; T405-L468 HydrophobicContact CG2-CD1 4.4Å |
| 406 | Q | 85.3 | Confident | 69.7 | Low | 101 Ų | 101 | 56.8 Ų | 56.8 | 47% | 0.472 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -51.7 | -37.5 | -174.3 | -71 | 178.9 | 10.6 | 0 | 0 | 115.9 | F408 Q409 | Q406-F408 PolarHBondContact O-N 3.42Å; Q406-Q409 PolarHBondContact O-N 3.08Å |
| 407 | P | 77.3 | Confident | 66.4 | Low | 15 Ų | 15 | 61.1 Ų | 61.1 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -59.7 | -24.3 | 175.7 | -25.2 | 36.6 | 0 | 0 | 0 | 114.3 | T342 F352 L404 I424 | T342-P407 HydrophobicContact CG2-CG 4.2Å; F352-P407 HydrophobicContact CE2-CG 4.08Å; F352-P407 HydrophobicContact CZ-CG 4.15Å; L404-P407 WeakPolarHBondContact O-CD 3.2Å; P407-I424 WeakPolarHBondContact O-CD1 3.45Å |
| 408 | F | 78 | Confident | 63.2 | Low | 11 Ų | 11 | 67.6 Ų | 67.6 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -101.9 | -5.9 | -173.3 | -53.1 | -63.8 | 0 | 0 | 0 | 113.6 | F352 F354 L369 T405 Q406 S410 I424 L427 F435 L468 | F352-F408 HydrophobicContact CD1-CE2 4.14Å; F352-F408 AromaticContact CD1-CZ 3.9Å; F352-F408 HydrophobicContact CD1-CZ 3.9Å; F352-F408 HydrophobicContact CD2-CZ 4.48Å; F352-F408 AromaticContact CE1-CE2 3.74Å; F352-F408 HydrophobicContact CE1-CE2 3.74Å; F352-F408 AromaticContact CE1-CZ 3.95Å; F352-F408 HydrophobicContact CE1-CZ 3.95Å; F352-F408 HydrophobicContact CG-CZ 4.18Å; F352-F408 HydrophobicContact CZ-CE2 4.03Å; F352-F408 HydrophobicContact CZ-CZ 4.26Å; F354-F408 AromaticContact CE2-CE1 3.75Å; F354-F408 HydrophobicContact CE2-CE1 3.75Å; F354-F408 AromaticContact CE2-CZ 3.81Å; F354-F408 HydrophobicContact CE2-CZ 3.81Å; F354-F408 AromaticContact CZ-CE1 3.45Å; F354-F408 HydrophobicContact CZ-CE1 3.45Å; F354-F408 VanDerWaalsContact CZ-CE1 3.45Å; F354-F408 AromaticContact CZ-CZ 3.65Å; F354-F408 HydrophobicContact CZ-CZ 3.65Å; L369-F408 HydrophobicContact CD2-CE2 4.29Å; L369-F408 HydrophobicContact CD2-CZ 3.96Å; T405-F408 PolarHBondContact O-N 3.19Å; Q406-F408 PolarHBondContact O-N 3.42Å; F408-S410 VanDerWaalsContact C-N 3.28Å; F408-S410 PolarHBondContact O-N 3.06Å; F408-I424 HydrophobicContact CD1-CG2 4.15Å; F408-I424 HydrophobicContact CE1-CG2 4.01Å; F408-L427 HydrophobicContact CB-CD2 4.23Å; F408-L427 HydrophobicContact CD1-CD1 4.35Å; F408-L427 HydrophobicContact CD1-CD2 4.08Å; F408-L427 HydrophobicContact CE1-CD1 4.31Å; F408-L427 HydrophobicContact CG-CD2 4.03Å; F408-F435 HydrophobicContact CD2-CE1 4.28Å; F408-F435 HydrophobicContact CE2-CE1 4.4Å; F408-L468 HydrophobicContact CB-CD2 3.53Å; F408-L468 HydrophobicContact CD2-CD2 4.48Å; F408-L468 HydrophobicContact CG-CD2 4.43Å |
| 409 | Q | 72.7 | Confident | 59.8 | Low | 40 Ų | 40 | 71.1 Ų | 71.1 | 19% | 0.187 | 38% | 0.384 | C | S | . | . | trans | -81.2 | 70.6 | 179.7 | -69.4 | 169.7 | -8.8 | 0 | 0 | 110.9 | T405 Q406 R411 A464 S467 | T405-Q409 PolarHBondContact OG1-NE2 2.87Å; Q406-Q409 PolarHBondContact O-N 3.08Å; Q409-R411 PolarHBondContact O-N 3.01Å; Q409-A464 VanDerWaalsContact NE2-CA 3.31Å; Q409-A464 PolarHBondContact NE2-O 2.95Å; Q409-S467 PolarHBondContact NE2-OG 3.16Å | ||
| 410 | S | 52.6 | Low | 56.6 | Low | 103 Ų | 103 | 73 Ų | 73 | 72% | 0.72 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -0.3 | -173.8 | 58.2 | 0 | 0 | 0 | 0 | 115.8 | F408 | F408-S410 VanDerWaalsContact C-N 3.28Å; F408-S410 PolarHBondContact O-N 3.06Å |
| 411 | R | 44.2 | Very low | 53.6 | Low | 131 Ų | 131 | 78.2 Ų | 78.2 | 49% | 0.494 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -15.3 | -179.7 | -97.4 | -168.2 | -179.8 | 133.8 | 15.8 | 116.5 | Q409 S413 E533 | Q409-R411 PolarHBondContact O-N 3.01Å; R411-S413 PolarHBondContact O-N 2.93Å; R411-E533 IonicContact CZ-OE1 2.71Å; R411-E533 IonicContact CZ-OE2 3.38Å; R411-E533 IonicContact NH1-OE1 3.58Å; R411-E533 PolarHBondContact NH1-OE1 3.22Å; R411-E533 IonicContact NH1-OE2 2.75Å; R411-E533 PolarHBondContact NH1-OE2 3.46Å; R411-E533 IonicContact NH2-OE1 2.67Å; R411-E533 PolarHBondContact NH2-OE1 3.14Å; R411-E533 IonicContact NH2-OE2 2.75Å; R411-E533 PolarHBondContact NH2-OE2 3Å |
| 412 | I | 32.6 | Very low | 50.4 | Low | 128 Ų | 128 | 86.2 Ų | 86.2 | 66% | 0.656 | 47% | 0.469 | S | S | * | . | trans | -80.8 | 92.9 | 177.5 | -45.4 | -176.7 | 0 | 0 | 0 | 108.8 | V414 | I412-V414 HydrophobicContact CB-CG2 4.45Å; I412-V414 HydrophobicContact CG2-CG2 3.62Å; I412-V414 PolarHBondContact O-N 2.78Å | ||
| 413 | S | 26.3 | Very low | 47.8 | Very low | 111 Ų | 111 | 90.7 Ų | 90.7 | 78% | 0.776 | 49% | 0.491 | S | S | * | . | trans | -66.5 | 65.6 | 174.6 | -52.3 | 0 | 0 | 0 | 0 | 112.6 | R411 N415 | R411-S413 PolarHBondContact O-N 2.93Å; S413-N415 PolarHBondContact O-N 3.41Å | ||
| 414 | V | 24.9 | Very low | 45.5 | Very low | 85 Ų | 85 | 92.6 Ų | 92.6 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | trans | -78.1 | 113.4 | 166.5 | -169 | 0 | 0 | 0 | 0 | 107.5 | I412 F416 | I412-V414 HydrophobicContact CB-CG2 4.45Å; I412-V414 HydrophobicContact CG2-CG2 3.62Å; I412-V414 PolarHBondContact O-N 2.78Å; V414-F416 HydrophobicContact CB-CD2 3.91Å; V414-F416 HydrophobicContact CB-CE2 3.87Å; V414-F416 HydrophobicContact CG1-CD2 3.66Å; V414-F416 HydrophobicContact CG1-CE2 3.42Å; V414-F416 VanDerWaalsContact CG1-CE2 3.42Å; V414-F416 HydrophobicContact CG1-CG 4.43Å; V414-F416 HydrophobicContact CG1-CZ 4Å; V414-F416 PolarHBondContact O-N 3.23Å | ||
| 415 | N | 22 | Very low | 43.4 | Very low | 152 Ų | 152 | 98.1 Ų | 98.1 | 81% | 0.813 | 53% | 0.53 | S | S | * | . | trans | -67.6 | 79 | 175.6 | -72.1 | -14.4 | 0 | 0 | 0 | 111 | S413 S417 | S413-N415 PolarHBondContact O-N 3.41Å; N415-S417 VanDerWaalsContact C-N 3.29Å; N415-S417 PolarHBondContact O-N 3.11Å; N415-S417 VanDerWaalsContact O-N 3.17Å | ||
| 416 | F | 27.8 | Very low | 41.8 | Very low | 170 Ų | 170 | 104.6 Ų | 104.6 | 75% | 0.746 | 57% | 0.565 | S | S | * | * | trans | -82 | 78.5 | 164.6 | -77.9 | -69.6 | 0 | 0 | 0 | 109.8 | V414 | V414-F416 HydrophobicContact CB-CD2 3.91Å; V414-F416 HydrophobicContact CB-CE2 3.87Å; V414-F416 HydrophobicContact CG1-CD2 3.66Å; V414-F416 HydrophobicContact CG1-CE2 3.42Å; V414-F416 VanDerWaalsContact CG1-CE2 3.42Å; V414-F416 HydrophobicContact CG1-CG 4.43Å; V414-F416 HydrophobicContact CG1-CZ 4Å; V414-F416 PolarHBondContact O-N 3.23Å | ||
| 417 | S | 22.5 | Very low | 40.8 | Very low | 100 Ų | 100 | 100.6 Ų | 100.6 | 70% | 0.699 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 155.7 | 148.3 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | N415 | N415-S417 VanDerWaalsContact C-N 3.29Å; N415-S417 PolarHBondContact O-N 3.11Å; N415-S417 VanDerWaalsContact O-N 3.17Å |
| 418 | E | 25.5 | Very low | 40.4 | Very low | 137 Ų | 137 | 103 Ų | 103 | 64% | 0.64 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.6 | 31.3 | 173.7 | -50 | -160.3 | 140.8 | 0 | 0 | 118 | V1767 | E418-V1767 WeakPolarHBondContact OE1-CG2 3.42Š|
| 419 | S | 24.1 | Very low | 40.1 | Very low | 74 Ų | 74 | 104.3 Ų | 104.3 | 52% | 0.517 | 58% | 0.577 | S | S | . | * | -168.1 | 137.5 | 128.6 | 47.3 | 0 | 0 | 0 | 0 | 113.3 | C421 | S419-C421 PolarHBondContact O-N 3.17Š| |||
| 420 | P | 26.5 | Very low | 40.3 | Very low | 124 Ų | 124 | 108.4 Ų | 108.4 | 81% | 0.805 | 60% | 0.6 | S | S | * | * | trans | -75.2 | 73.3 | 162.9 | 33.6 | -33.7 | 0 | 0 | 0 | 109.1 | R422 | P420-R422 PolarHBondContact O-N 3.4Š| ||
| 421 | C | 29.5 | Very low | 41.5 | Very low | 110 Ų | 110 | 104.1 Ų | 104.1 | 74% | 0.743 | 57% | 0.57 | S | S | * | * | trans | -58.1 | 101.5 | 142.5 | -72.1 | 0 | 0 | 0 | 0 | 104.8 | S419 | S419-C421 PolarHBondContact O-N 3.17Š| ||
| 422 | R | 27.7 | Very low | 43.1 | Very low | 168 Ų | 168 | 97.9 Ų | 97.9 | 63% | 0.634 | 55% | 0.546 | S | S | * | . | trans | -52.4 | 148.1 | -179.8 | -70.8 | -174.3 | 177.7 | 122.3 | 1.1 | 109.2 | E358 P420 I424 | E358-R422 IonicContact OE1-CZ 3.22Å; E358-R422 IonicContact OE1-NH1 3.64Å; E358-R422 IonicContact OE1-NH2 2.93Å; E358-R422 PolarHBondContact OE1-NH2 2.94Å; E358-R422 IonicContact OE2-CZ 3.83Å; E358-R422 IonicContact OE2-NH1 3.14Å; E358-R422 PolarHBondContact OE2-NH1 3.42Å; E358-R422 IonicContact OE2-NH2 2.69Å; E358-R422 PolarHBondContact OE2-NH2 3.29Å; P420-R422 PolarHBondContact O-N 3.4Å; R422-I424 PolarHBondContact O-N 2.89Å | ||
| 423 | I | 36 | Very low | 45.4 | Very low | 122 Ų | 122 | 94.2 Ų | 94.2 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | trans | -29.7 | 121.3 | 166.3 | -62.4 | 157.9 | 0 | 0 | 0 | 107.9 | D425 | I423-D425 VanDerWaalsContact C-N 3.31Å; I423-D425 PolarHBondContact O-N 3.34Å | ||
| 424 | I | 44.2 | Very low | 48.2 | Very low | 63 Ų | 63 | 91.8 Ų | 91.8 | 32% | 0.323 | 50% | 0.502 | S | S | . | . | trans | -62.7 | 108.4 | 161.8 | -62.7 | 165.3 | 0 | 0 | 0 | 102.4 | R348 F354 P407 F408 R422 D426 | R348-I424 VanDerWaalsContact NH1-CD1 3.33Å; F354-I424 HydrophobicContact CE2-CG2 4.46Å; P407-I424 WeakPolarHBondContact O-CD1 3.45Å; F408-I424 HydrophobicContact CD1-CG2 4.15Å; F408-I424 HydrophobicContact CE1-CG2 4.01Å; R422-I424 PolarHBondContact O-N 2.89Å; I424-D426 PolarHBondContact O-N 3.16Å; I424-D426 VanDerWaalsContact O-N 3.12Å | ||
| 425 | D | 44.8 | Very low | 51.2 | Low | 115 Ų | 115 | 87.7 Ų | 87.7 | 62% | 0.615 | 48% | 0.477 | S | S | * | . | trans | -44.6 | 122 | -167.9 | -58 | -75.6 | 0 | 0 | 0 | 109.1 | I423 L427 | I423-D425 VanDerWaalsContact C-N 3.31Å; I423-D425 PolarHBondContact O-N 3.34Å; D425-L427 PolarHBondContact O-N 2.94Å | ||
| 426 | D | 53.3 | Low | 54.2 | Low | 137 Ų | 137 | 80.7 Ų | 80.7 | 73% | 0.733 | 44% | 0.44 | S | S | * | . | trans | -49.6 | 115.9 | -163.9 | -78.8 | -58.8 | 0 | 0 | 0 | 109.6 | I424 S428 | I424-D426 PolarHBondContact O-N 3.16Å; I424-D426 VanDerWaalsContact O-N 3.12Å; D426-S428 PolarHBondContact O-N 3.12Å | ||
| 427 | L | 63.4 | Low | 57 | Low | 17 Ų | 17 | 76.2 Ų | 76.2 | 9% | 0.089 | 42% | 0.421 | C | S | . | . | trans | -56.6 | 109.8 | -165.5 | -174.3 | 67.6 | 0 | 0 | 0 | 108.8 | L369 F408 D425 A429 S431 | L369-L427 HydrophobicContact CD1-CD1 3.6Å; L369-L427 HydrophobicContact CD2-CD1 4.11Å; F408-L427 HydrophobicContact CB-CD2 4.23Å; F408-L427 HydrophobicContact CD1-CD1 4.35Å; F408-L427 HydrophobicContact CD1-CD2 4.08Å; F408-L427 HydrophobicContact CE1-CD1 4.31Å; F408-L427 HydrophobicContact CG-CD2 4.03Å; D425-L427 PolarHBondContact O-N 2.94Å; L427-A429 PolarHBondContact O-N 3.33Å; L427-S431 VanDerWaalsContact CD1-OG 3.27Å; L427-S431 WeakPolarHBondContact CD1-OG 3.34Å | ||
| 428 | S | 70.1 | Confident | 60 | Low | 64 Ų | 64 | 73.5 Ų | 73.5 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | trans | -53.3 | 140.7 | -175.8 | -168 | 0 | 0 | 0 | 0 | 109.4 | D426 D430 S431 S432 | D426-S428 PolarHBondContact O-N 3.12Å; S428-D430 PolarHBondContact O-N 2.79Å; S428-D430 PolarHBondContact OG-OD2 3.15Å; S428-D430 VanDerWaalsContact OG-OD2 3.04Å; S428-S431 PolarHBondContact N-OG 2.93Å; S428-S431 CarbonylContact O-C 3.55Å; S428-S431 WeakPolarHBondContact O-CA 3.48Å; S428-S431 WeakPolarHBondContact O-CB 3.41Å; S428-S431 PolarHBondContact O-N 2.96Å; S428-S431 PolarHBondContact O-OG 2.81Å; S428-S432 PolarHBondContact O-N 2.97Å | ||
| 429 | A | 72 | Confident | 63.2 | Low | 40 Ų | 40 | 67 Ų | 67 | 33% | 0.331 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -50.1 | -47.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L427 S431 S432 D433 F470 | L427-A429 PolarHBondContact O-N 3.33Å; A429-S431 PolarHBondContact O-N 3.19Å; A429-S432 WeakPolarHBondContact CA-OG 3.45Å; A429-S432 PolarHBondContact O-N 2.91Å; A429-S432 VanDerWaalsContact O-N 3.15Å; A429-S432 PolarHBondContact O-OG 2.69Å; A429-D433 WeakPolarHBondContact O-CB 3.14Å; A429-D433 PolarHBondContact O-N 3Å; A429-F470 HydrophobicContact CB-CD2 4.37Å |
| 430 | D | 75.3 | Confident | 66.2 | Low | 126 Ų | 126 | 64.1 Ų | 64.1 | 67% | 0.674 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -56.1 | -33 | 178 | -30.8 | -71.3 | 0 | 0 | 0 | 112.9 | S428 W434 | S428-D430 PolarHBondContact O-N 2.79Å; S428-D430 PolarHBondContact OG-OD2 3.15Å; S428-D430 VanDerWaalsContact OG-OD2 3.04Å; D430-W434 VanDerWaalsContact O-CB 3.22Å; D430-W434 WeakPolarHBondContact O-CB 3.15Å; D430-W434 PolarHBondContact O-N 3.1Å |
| 431 | S | 78.2 | Confident | 68.9 | Low | 12 Ų | 12 | 59.4 Ų | 59.4 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -88.7 | -29.3 | -179.3 | 72.7 | 0 | 0 | 0 | 0 | 114.2 | L427 S428 A429 F435 | L427-S431 VanDerWaalsContact CD1-OG 3.27Å; L427-S431 WeakPolarHBondContact CD1-OG 3.34Å; S428-S431 PolarHBondContact N-OG 2.93Å; S428-S431 CarbonylContact O-C 3.55Å; S428-S431 WeakPolarHBondContact O-CA 3.48Å; S428-S431 WeakPolarHBondContact O-CB 3.41Å; S428-S431 PolarHBondContact O-N 2.96Å; S428-S431 PolarHBondContact O-OG 2.81Å; A429-S431 PolarHBondContact O-N 3.19Å; S431-F435 VanDerWaalsContact O-CB 3.28Å; S431-F435 WeakPolarHBondContact O-CB 3.35Å; S431-F435 PolarHBondContact O-N 2.95Å |
| 432 | S | 78 | Confident | 71.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 166.9 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | S428 A429 F435 A436 | S428-S432 PolarHBondContact O-N 2.97Å; A429-S432 WeakPolarHBondContact CA-OG 3.45Å; A429-S432 PolarHBondContact O-N 2.91Å; A429-S432 VanDerWaalsContact O-N 3.15Å; A429-S432 PolarHBondContact O-OG 2.69Å; S432-F435 PolarHBondContact O-N 2.98Å; S432-A436 WeakPolarHBondContact O-CB 3.26Å; S432-A436 PolarHBondContact O-N 3.39Å |
| 433 | D | 80.5 | Confident | 74.9 | Confident | 51 Ų | 51 | 46.3 Ų | 46.3 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.9 | -47.3 | -176.5 | -66.7 | 15.9 | 0 | 0 | 0 | 110.1 | A429 F435 A436 H437 I474 | A429-D433 WeakPolarHBondContact O-CB 3.14Å; A429-D433 PolarHBondContact O-N 3Å; D433-F435 VanDerWaalsContact C-N 3.32Å; D433-F435 PolarHBondContact O-N 3.07Å; D433-A436 PolarHBondContact O-N 2.62Å; D433-H437 PolarHBondContact O-N 3.45Å; D433-H437 PolarHBondContact O-ND1 3.33Å; D433-I474 HydrophobicContact CB-CD1 3.8Å; D433-I474 VanDerWaalsContact OD1-CD1 3.28Å; D433-I474 WeakPolarHBondContact OD1-CD1 3.4Å |
| 434 | W | 85.2 | Confident | 77.3 | Confident | 60 Ų | 60 | 41.2 Ų | 41.2 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.9 | -45.4 | 171.6 | 176.6 | 87.8 | 0 | 0 | 0 | 112.1 | L369 L375 L376 D430 A436 H437 Q438 | L369-W434 HydrophobicContact CB-CE3 4.27Å; L369-W434 HydrophobicContact CB-CZ3 4.04Å; L375-W434 HydrophobicContact CD2-CH2 4.48Å; L375-W434 HydrophobicContact CD2-CZ3 4.13Å; L376-W434 HydrophobicContact CD2-CH2 3.73Å; L376-W434 HydrophobicContact CD2-CZ2 3.46Å; L376-W434 VanDerWaalsContact CD2-CZ2 3.46Å; D430-W434 VanDerWaalsContact O-CB 3.22Å; D430-W434 WeakPolarHBondContact O-CB 3.15Å; D430-W434 PolarHBondContact O-N 3.1Å; W434-A436 PolarHBondContact O-N 2.92Å; W434-H437 PolarHBondContact O-N 3.24Å; W434-Q438 HydrophobicContact CD2-CG 4.13Å; W434-Q438 HydrophobicContact CE3-CG 4.44Å; W434-Q438 HydrophobicContact CH2-CG 4.02Å; W434-Q438 HydrophobicContact CZ2-CG 3.67Å; W434-Q438 HydrophobicContact CZ3-CG 4.39Å; W434-Q438 WeakPolarHBondContact O-CG 3.33Å; W434-Q438 PolarHBondContact O-N 3.24Å |
| 435 | F | 87.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.3 | -35.8 | -178.6 | -175.5 | -123.7 | 0 | 0 | 0 | 112.5 | M379 L404 T405 F408 S431 S432 D433 Q438 L439 L468 | M379-F435 HydrophobicContact SD-CE2 4.35Å; L404-F435 HydrophobicContact CB-CZ 4.1Å; T405-F435 HydrophobicContact CG2-CE1 4.05Å; F408-F435 HydrophobicContact CD2-CE1 4.28Å; F408-F435 HydrophobicContact CE2-CE1 4.4Å; S431-F435 VanDerWaalsContact O-CB 3.28Å; S431-F435 WeakPolarHBondContact O-CB 3.35Å; S431-F435 PolarHBondContact O-N 2.95Å; S432-F435 PolarHBondContact O-N 2.98Å; D433-F435 VanDerWaalsContact C-N 3.32Å; D433-F435 PolarHBondContact O-N 3.07Å; F435-Q438 PolarHBondContact O-N 3.49Å; F435-L439 HydrophobicContact CE1-CD1 4.05Å; F435-L439 HydrophobicContact CE2-CD1 4.24Å; F435-L439 HydrophobicContact CZ-CD1 3.89Å; F435-L439 PolarHBondContact O-N 2.92Å; F435-L468 HydrophobicContact CD1-CD1 3.96Å; F435-L468 HydrophobicContact CE1-CD1 4.35Å |
| 436 | A | 86.7 | Confident | 81.4 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S432 D433 W434 Q438 L439 L440 V465 C471 | S432-A436 WeakPolarHBondContact O-CB 3.26Å; S432-A436 PolarHBondContact O-N 3.39Å; D433-A436 PolarHBondContact O-N 2.62Å; W434-A436 PolarHBondContact O-N 2.92Å; A436-Q438 VanDerWaalsContact C-N 3.32Å; A436-Q438 PolarHBondContact O-N 2.83Å; A436-L439 PolarHBondContact O-N 3.38Å; A436-L440 PolarHBondContact O-N 3.42Å; A436-L440 VanDerWaalsContact O-N 3.11Å; A436-V465 HydrophobicContact CB-CG1 3.73Å; A436-C471 HydrophobicContact CB-CB 4.3Å |
| 437 | H | 85.7 | Confident | 83.1 | Confident | 76 Ų | 76 | 29 Ų | 29 | 35% | 0.352 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.4 | -36 | 177 | -74.2 | 88.1 | 0 | 0 | 0 | 112.5 | D433 W434 L439 L440 | D433-H437 PolarHBondContact O-N 3.45Å; D433-H437 PolarHBondContact O-ND1 3.33Å; W434-H437 PolarHBondContact O-N 3.24Å; H437-L439 VanDerWaalsContact C-N 3.27Å; H437-L439 PolarHBondContact O-N 3.48Å; H437-L440 VanDerWaalsContact O-CB 3.23Å; H437-L440 WeakPolarHBondContact O-CB 3.33Å; H437-L440 PolarHBondContact O-N 3.32Å |
| 438 | Q | 86 | Confident | 84.1 | Confident | 43 Ų | 43 | 28.5 Ų | 28.5 | 20% | 0.201 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.3 | -25.5 | 176.6 | -67.6 | -66.6 | 4 | 0 | 0 | 114 | K383 W434 F435 A436 | K383-Q438 WeakPolarHBondContact CE-O 3.45Å; W434-Q438 HydrophobicContact CD2-CG 4.13Å; W434-Q438 HydrophobicContact CE3-CG 4.44Å; W434-Q438 HydrophobicContact CH2-CG 4.02Å; W434-Q438 HydrophobicContact CZ2-CG 3.67Å; W434-Q438 HydrophobicContact CZ3-CG 4.39Å; W434-Q438 WeakPolarHBondContact O-CG 3.33Å; W434-Q438 PolarHBondContact O-N 3.24Å; F435-Q438 PolarHBondContact O-N 3.49Å; A436-Q438 VanDerWaalsContact C-N 3.32Å; A436-Q438 PolarHBondContact O-N 2.83Å |
| 439 | L | 92 | Very high | 85 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -90.2 | -14.1 | 176.5 | -64.8 | 176.9 | 0 | 0 | 0 | 113 | M379 A401 T405 F435 A436 H437 D441 M442 I443 L461 V465 | M379-L439 HydrophobicContact SD-CD2 3.9Å; A401-L439 HydrophobicContact CB-CD2 3.88Å; T405-L439 HydrophobicContact CG2-CD1 3.78Å; F435-L439 HydrophobicContact CE1-CD1 4.05Å; F435-L439 HydrophobicContact CE2-CD1 4.24Å; F435-L439 HydrophobicContact CZ-CD1 3.89Å; F435-L439 PolarHBondContact O-N 2.92Å; A436-L439 PolarHBondContact O-N 3.38Å; H437-L439 VanDerWaalsContact C-N 3.27Å; H437-L439 PolarHBondContact O-N 3.48Å; L439-D441 PolarHBondContact O-N 2.9Å; L439-M442 HydrophobicContact CD2-SD 3.85Å; L439-M442 WeakPolarHBondContact O-CB 3.5Å; L439-M442 PolarHBondContact O-N 2.91Å; L439-M442 VanDerWaalsContact O-N 3.17Å; L439-I443 PolarHBondContact O-N 3.29Å; L439-I443 VanDerWaalsContact O-N 3.15Å; L439-L461 HydrophobicContact CD1-CD1 4.41Å; L439-V465 HydrophobicContact CB-CG2 4.07Å; L439-V465 HydrophobicContact CD1-CG2 3.66Å |
| 440 | L | 87.8 | Confident | 85.6 | Confident | 14 Ų | 14 | 28.3 Ų | 28.3 | 7% | 0.073 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | -177.1 | -171.9 | 68.6 | 0 | 0 | 0 | 112.5 | A436 H437 M442 I443 Y444 E478 V479 | A436-L440 PolarHBondContact O-N 3.42Å; A436-L440 VanDerWaalsContact O-N 3.11Å; H437-L440 VanDerWaalsContact O-CB 3.23Å; H437-L440 WeakPolarHBondContact O-CB 3.33Å; H437-L440 PolarHBondContact O-N 3.32Å; L440-M442 PolarHBondContact O-N 2.84Å; L440-I443 WeakPolarHBondContact O-CB 3.43Å; L440-I443 PolarHBondContact O-N 3.06Å; L440-Y444 HydrophobicContact CD1-CE1 4.4Å; L440-Y444 HydrophobicContact CD1-CE2 4.11Å; L440-Y444 HydrophobicContact CD2-CE2 3.69Å; L440-Y444 HydrophobicContact CG-CD2 4.02Å; L440-Y444 HydrophobicContact CG-CE2 3.45Å; L440-Y444 VanDerWaalsContact CG-CE2 3.45Å; L440-Y444 WeakPolarHBondContact O-CD2 3.25Å; L440-Y444 PolarHBondContact O-N 3.4Å; L440-E478 HydrophobicContact CD1-CB 3.64Å; L440-E478 HydrophobicContact CD1-CG 4.42Å; L440-E478 HydrophobicContact CD2-CB 3.77Å; L440-E478 HydrophobicContact CD2-CG 3.87Å; L440-E478 WeakPolarHBondContact CD2-OE2 3.39Å; L440-E478 HydrophobicContact CG-CB 4.34Å; L440-V479 HydrophobicContact CD1-CG2 3.49Å; L440-V479 VanDerWaalsContact CD1-CG2 3.49Å |
| 441 | D | 84.1 | Confident | 86.2 | Confident | 26 Ų | 26 | 25.8 Ų | 25.8 | 14% | 0.139 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -54.3 | -40.2 | 174 | -67.1 | -26 | 0 | 0 | 0 | 112.6 | K383 L439 F445 Y503 | K383-D441 HydrophobicContact CD-CB 4.43Å; K383-D441 WeakPolarHBondContact CE-OD2 3.19Å; K383-D441 IonicContact NZ-OD2 3.88Å; K383-D441 PolarHBondContact NZ-OD2 3.37Å; L439-D441 PolarHBondContact O-N 2.9Å; D441-F445 PolarHBondContact O-N 3.42Å; D441-Y503 PolarHBondContact OD1-OH 3.03Å |
| 442 | M | 90.4 | Very high | 86.6 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72 | -35.9 | -179.9 | -55.7 | 177.1 | 72.5 | 0 | 0 | 110.9 | L382 K383 V386 L398 A401 L439 L440 A446 L461 | L382-M442 HydrophobicContact CB-CE 3.71Å; L382-M442 HydrophobicContact CB-SD 4.16Å; K383-M442 HydrophobicContact CG-CG 4.4Å; V386-M442 HydrophobicContact CG2-CB 4.23Å; V386-M442 HydrophobicContact CG2-CE 3.35Å; V386-M442 HydrophobicContact CG2-CG 4.13Å; L398-M442 HydrophobicContact CD2-CB 4.22Å; L398-M442 HydrophobicContact CD2-CE 4.39Å; A401-M442 HydrophobicContact CB-CE 3.71Å; A401-M442 HydrophobicContact CB-SD 4Å; L439-M442 HydrophobicContact CD2-SD 3.85Å; L439-M442 WeakPolarHBondContact O-CB 3.5Å; L439-M442 PolarHBondContact O-N 2.91Å; L439-M442 VanDerWaalsContact O-N 3.17Å; L440-M442 PolarHBondContact O-N 2.84Å; M442-A446 WeakPolarHBondContact O-CB 3.37Å; M442-A446 PolarHBondContact O-N 3.42Å; M442-L461 HydrophobicContact CB-CD2 4.05Å |
| 443 | I | 91 | Very high | 87.2 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.8 | -49.8 | 175.6 | -68.5 | 166.7 | 0 | 0 | 0 | 110.5 | L439 L440 F445 A446 L447 L461 S462 V465 V479 | L439-I443 PolarHBondContact O-N 3.29Å; L439-I443 VanDerWaalsContact O-N 3.15Å; L440-I443 WeakPolarHBondContact O-CB 3.43Å; L440-I443 PolarHBondContact O-N 3.06Å; I443-F445 PolarHBondContact O-N 3.16Å; I443-A446 PolarHBondContact O-N 2.92Å; I443-L447 HydrophobicContact CG2-CD1 3.71Å; I443-L447 HydrophobicContact CG2-CG 4.24Å; I443-L447 WeakPolarHBondContact O-CG 3.37Å; I443-L447 PolarHBondContact O-N 3.03Å; I443-L461 HydrophobicContact CD1-CG 4.29Å; I443-L461 HydrophobicContact CG1-CB 4.48Å; I443-L461 HydrophobicContact CG1-CD2 3.87Å; I443-L461 HydrophobicContact CG1-CG 3.9Å; I443-S462 VanDerWaalsContact CG2-OG 3.26Å; I443-S462 WeakPolarHBondContact CG2-OG 3.33Å; I443-V465 HydrophobicContact CD1-CB 4.48Å; I443-V465 HydrophobicContact CD1-CG2 4.24Å; I443-V479 HydrophobicContact CG2-CG1 4.17Å; I443-V479 HydrophobicContact CG2-CG2 3.95Å |
| 444 | Y | 86.8 | Confident | 87.7 | Confident | 15 Ų | 15 | 32 Ų | 32 | 6% | 0.059 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.7 | -49.6 | 178.3 | -71.3 | -44.8 | 0 | 0 | 0 | 111.9 | L440 A446 L447 S448 E478 V479 V483 F504 | L440-Y444 HydrophobicContact CD1-CE1 4.4Å; L440-Y444 HydrophobicContact CD1-CE2 4.11Å; L440-Y444 HydrophobicContact CD2-CE2 3.69Å; L440-Y444 HydrophobicContact CG-CD2 4.02Å; L440-Y444 HydrophobicContact CG-CE2 3.45Å; L440-Y444 VanDerWaalsContact CG-CE2 3.45Å; L440-Y444 WeakPolarHBondContact O-CD2 3.25Å; L440-Y444 PolarHBondContact O-N 3.4Å; Y444-A446 PolarHBondContact O-N 3.05Å; Y444-L447 PolarHBondContact O-N 3.29Å; Y444-S448 WeakPolarHBondContact O-CB 3.16Å; Y444-S448 PolarHBondContact O-N 3.43Å; Y444-S448 VanDerWaalsContact O-N 3.12Å; Y444-S448 PolarHBondContact O-OG 2.84Å; Y444-E478 PolarHBondContact OH-O 3.29Å; Y444-E478 VanDerWaalsContact OH-O 3.12Å; Y444-V479 HydrophobicContact CE1-CG2 4.4Å; Y444-V483 HydrophobicContact CD1-CG2 4.08Å; Y444-V483 HydrophobicContact CE1-CG2 3.62Å; Y444-F504 HydrophobicContact CD1-CE1 4.41Å; Y444-F504 AromaticContact CD1-CZ 3.87Å; Y444-F504 HydrophobicContact CD1-CZ 3.87Å; Y444-F504 AromaticContact CD2-CZ 3.88Å; Y444-F504 HydrophobicContact CD2-CZ 3.88Å; Y444-F504 HydrophobicContact CE1-CZ 4.14Å; Y444-F504 HydrophobicContact CE2-CZ 4.13Å; Y444-F504 HydrophobicContact CG-CE1 4.18Å; Y444-F504 AromaticContact CG-CZ 3.75Å; Y444-F504 HydrophobicContact CG-CZ 3.75Å |
| 445 | F | 86.9 | Confident | 88 | Confident | 57 Ų | 57 | 30.4 Ų | 30.4 | 25% | 0.25 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.6 | -50.4 | 175.9 | -177.6 | -82.8 | 0 | 0 | 0 | 111 | V386 R387 T394 D441 I443 L447 S448 D449 | V386-F445 HydrophobicContact CG1-CB 3.84Å; V386-F445 HydrophobicContact CG1-CD1 3.23Å; V386-F445 HydrophobicContact CG1-CD2 4.48Å; V386-F445 HydrophobicContact CG1-CE1 3.86Å; V386-F445 HydrophobicContact CG1-CG 3.6Å; V386-F445 WeakPolarHBondContact O-CE1 3.31Å; V386-F445 WeakPolarHBondContact O-CZ 3.46Å; R387-F445 HydrophobicContact CB-CE2 4.4Å; R387-F445 HydrophobicContact CG-CD2 4.04Å; R387-F445 HydrophobicContact CG-CE2 4Å; T394-F445 HydrophobicContact CG2-CE1 4.42Å; D441-F445 PolarHBondContact O-N 3.42Å; I443-F445 PolarHBondContact O-N 3.16Å; F445-L447 VanDerWaalsContact C-N 3.33Å; F445-L447 PolarHBondContact O-N 3.27Å; F445-S448 PolarHBondContact O-N 3Å; F445-S448 VanDerWaalsContact O-N 3.12Å; F445-S448 PolarHBondContact O-OG 3.11Å; F445-D449 PolarHBondContact O-N 2.88Å |
| 446 | A | 89.5 | Confident | 88.1 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.8 | -34.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L398 M442 I443 Y444 V454 R455 | L398-A446 HydrophobicContact CD1-CB 3.8Å; L398-A446 HydrophobicContact CD2-CB 4.01Å; M442-A446 WeakPolarHBondContact O-CB 3.37Å; M442-A446 PolarHBondContact O-N 3.42Å; I443-A446 PolarHBondContact O-N 2.92Å; Y444-A446 PolarHBondContact O-N 3.05Å; A446-V454 HydrophobicContact CB-CG1 4.14Å; A446-R455 WeakPolarHBondContact O-CA 3.26Å; A446-R455 WeakPolarHBondContact O-CG 3.26Å |
| 447 | L | 88.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -77.1 | -26.1 | 175.5 | -65.2 | 176 | 0 | 0 | 0 | 112.8 | I443 Y444 F445 D449 R455 V479 L514 L521 | I443-L447 HydrophobicContact CG2-CD1 3.71Å; I443-L447 HydrophobicContact CG2-CG 4.24Å; I443-L447 WeakPolarHBondContact O-CG 3.37Å; I443-L447 PolarHBondContact O-N 3.03Å; Y444-L447 PolarHBondContact O-N 3.29Å; F445-L447 VanDerWaalsContact C-N 3.33Å; F445-L447 PolarHBondContact O-N 3.27Å; L447-D449 VanDerWaalsContact C-N 3.33Å; L447-R455 WeakPolarHBondContact O-CD 3.41Å; L447-V479 HydrophobicContact CD1-CG1 3.63Å; L447-L514 HydrophobicContact CB-CD1 3.53Å; L447-L521 HydrophobicContact CD1-CD2 4.11Å |
| 448 | S | 85.2 | Confident | 88.7 | Confident | 8 Ų | 8 | 28.1 Ų | 28.1 | 6% | 0.056 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -79.3 | -8.8 | 177 | 78.6 | 0 | 0 | 0 | 0 | 115 | Y444 F445 | Y444-S448 WeakPolarHBondContact O-CB 3.16Å; Y444-S448 PolarHBondContact O-N 3.43Å; Y444-S448 VanDerWaalsContact O-N 3.12Å; Y444-S448 PolarHBondContact O-OG 2.84Å; F445-S448 PolarHBondContact O-N 3Å; F445-S448 VanDerWaalsContact O-N 3.12Å; F445-S448 PolarHBondContact O-OG 3.11Å |
| 449 | D | 88.1 | Confident | 88.9 | Confident | 10 Ų | 10 | 26.3 Ų | 26.3 | 5% | 0.053 | 14% | 0.139 | C | C | . | . | trans | -74 | 136.5 | -176.9 | -164.9 | -37.6 | 0 | 0 | 0 | 111.5 | F445 L447 R451 V454 R455 | F445-D449 PolarHBondContact O-N 2.88Å; L447-D449 VanDerWaalsContact C-N 3.33Å; D449-R451 PolarHBondContact O-N 3.29Å; D449-R451 VanDerWaalsContact OD1-CB 3.24Å; D449-R451 WeakPolarHBondContact OD1-CB 3.47Å; D449-R451 VanDerWaalsContact OD1-CG 3.25Å; D449-R451 WeakPolarHBondContact OD1-CG 3.31Å; D449-R451 PolarHBondContact OD1-N 3.22Å; D449-R451 IonicContact OD1-NE 3.51Å; D449-R451 PolarHBondContact OD1-NE 3.05Å; D449-R451 VanDerWaalsContact OD1-NE 3.14Å; D449-R451 IonicContact OD2-CZ 3.6Å; D449-R451 VanDerWaalsContact OD2-CZ 3.22Å; D449-R451 IonicContact OD2-NE 3.5Å; D449-R451 PolarHBondContact OD2-NE 3.14Å; D449-R451 IonicContact OD2-NH2 2.69Å; D449-R451 PolarHBondContact OD2-NH2 3.39Å; D449-V454 HydrophobicContact CB-CB 4.01Å; D449-V454 HydrophobicContact CB-CG1 3.83Å; D449-R455 WeakPolarHBondContact O-CD 3.49Å; D449-R455 VanDerWaalsContact O-CG 3.29Å; D449-R455 WeakPolarHBondContact O-CG 3.41Å; D449-R455 PolarHBondContact O-NH1 2.97Å | ||
| 450 | S | 84.2 | Confident | 88.9 | Confident | 90 Ų | 90 | 31 Ų | 31 | 63% | 0.629 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -66.3 | -24.1 | 175.7 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | R455 | S450-R455 PolarHBondContact O-NH1 3.28Š|
| 451 | R | 87.9 | Confident | 89.2 | Confident | 72 Ų | 72 | 30.3 Ų | 30.3 | 27% | 0.272 | 16% | 0.156 | S | C | . | . | trans | -76 | 118.8 | -179.2 | -58.9 | 175.3 | -66.4 | -178.3 | 5.9 | 111.3 | D449 D453 V454 R455 | D449-R451 PolarHBondContact O-N 3.29Å; D449-R451 VanDerWaalsContact OD1-CB 3.24Å; D449-R451 WeakPolarHBondContact OD1-CB 3.47Å; D449-R451 VanDerWaalsContact OD1-CG 3.25Å; D449-R451 WeakPolarHBondContact OD1-CG 3.31Å; D449-R451 PolarHBondContact OD1-N 3.22Å; D449-R451 IonicContact OD1-NE 3.51Å; D449-R451 PolarHBondContact OD1-NE 3.05Å; D449-R451 VanDerWaalsContact OD1-NE 3.14Å; D449-R451 IonicContact OD2-CZ 3.6Å; D449-R451 VanDerWaalsContact OD2-CZ 3.22Å; D449-R451 IonicContact OD2-NE 3.5Å; D449-R451 PolarHBondContact OD2-NE 3.14Å; D449-R451 IonicContact OD2-NH2 2.69Å; D449-R451 PolarHBondContact OD2-NH2 3.39Å; R451-D453 VanDerWaalsContact C-N 3.29Å; R451-D453 PolarHBondContact O-N 3.26Å; R451-V454 HydrophobicContact CB-CB 4.42Å; R451-V454 HydrophobicContact CB-CG2 4.03Å; R451-V454 PolarHBondContact O-N 3.22Å; R451-R455 PolarHBondContact O-N 2.75Å | ||
| 452 | L | 87.8 | Confident | 89.5 | Confident | 93 Ų | 93 | 29.1 Ų | 29.1 | 49% | 0.487 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -56.9 | -39.2 | -178.3 | 179.9 | 62.3 | 0 | 0 | 0 | 113.1 | V454 R455 V456 R638 | L452-V454 VanDerWaalsContact C-N 3.32Å; L452-V454 PolarHBondContact O-N 2.79Å; L452-R455 PolarHBondContact O-N 2.99Å; L452-V456 HydrophobicContact CD1-CG2 4.31Å; L452-V456 HydrophobicContact CG-CG2 4.4Å; L452-V456 WeakPolarHBondContact O-CB 3.31Å; L452-V456 WeakPolarHBondContact O-CG2 3.41Å; L452-V456 PolarHBondContact O-N 3.37Å; L452-R638 VanDerWaalsContact CD1-NH1 3.31Å |
| 453 | D | 89.7 | Confident | 89.6 | Confident | 100 Ų | 100 | 31.3 Ų | 31.3 | 54% | 0.535 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.4 | -34.7 | -176.7 | -56.2 | -56.1 | 0 | 0 | 0 | 112.4 | L395 R451 V456 A457 | L395-D453 HydrophobicContact CD2-CB 4.5Å; R451-D453 VanDerWaalsContact C-N 3.29Å; R451-D453 PolarHBondContact O-N 3.26Å; D453-V456 PolarHBondContact O-N 2.87Å; D453-A457 PolarHBondContact O-N 2.87Å |
| 454 | V | 91.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70 | -44 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | L391 T394 L395 L398 A446 D449 R451 L452 V456 A457 G458 | L391-V454 HydrophobicContact CD1-CG2 3.43Å; L391-V454 VanDerWaalsContact CD1-CG2 3.43Å; T394-V454 HydrophobicContact CG2-CG1 3.92Å; T394-V454 HydrophobicContact CG2-CG2 4.26Å; L395-V454 HydrophobicContact CD2-CG2 4.22Å; L398-V454 HydrophobicContact CD1-CG1 3.99Å; A446-V454 HydrophobicContact CB-CG1 4.14Å; D449-V454 HydrophobicContact CB-CB 4.01Å; D449-V454 HydrophobicContact CB-CG1 3.83Å; R451-V454 HydrophobicContact CB-CB 4.42Å; R451-V454 HydrophobicContact CB-CG2 4.03Å; R451-V454 PolarHBondContact O-N 3.22Å; L452-V454 VanDerWaalsContact C-N 3.32Å; L452-V454 PolarHBondContact O-N 2.79Å; V454-V456 VanDerWaalsContact C-N 3.31Å; V454-V456 PolarHBondContact O-N 3.4Å; V454-A457 WeakPolarHBondContact O-CB 3.42Å; V454-A457 PolarHBondContact O-N 2.91Å; V454-A457 VanDerWaalsContact O-N 3.09Å; V454-G458 PolarHBondContact O-N 3.46Å |
| 455 | R | 91 | Very high | 89.6 | Confident | 27 Ų | 27 | 31 Ų | 31 | 10% | 0.102 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -39 | 174 | -59.3 | -155.3 | -61.2 | -75.3 | 7.8 | 112.2 | A446 L447 D449 S450 R451 L452 A457 G458 T459 E517 | A446-R455 WeakPolarHBondContact O-CA 3.26Å; A446-R455 WeakPolarHBondContact O-CG 3.26Å; L447-R455 WeakPolarHBondContact O-CD 3.41Å; D449-R455 WeakPolarHBondContact O-CD 3.49Å; D449-R455 VanDerWaalsContact O-CG 3.29Å; D449-R455 WeakPolarHBondContact O-CG 3.41Å; D449-R455 PolarHBondContact O-NH1 2.97Å; S450-R455 PolarHBondContact O-NH1 3.28Å; R451-R455 PolarHBondContact O-N 2.75Å; L452-R455 PolarHBondContact O-N 2.99Å; R455-A457 VanDerWaalsContact C-N 3.33Å; R455-A457 PolarHBondContact O-N 3.27Å; R455-G458 CarbonylContact O-C 3.49Å; R455-G458 WeakPolarHBondContact O-CA 3.23Å; R455-G458 PolarHBondContact O-N 3.21Å; R455-G458 VanDerWaalsContact O-N 3.17Å; R455-T459 PolarHBondContact O-N 2.72Å; R455-T459 PolarHBondContact O-OG1 2.93Å; R455-E517 IonicContact CZ-OE1 2.96Å; R455-E517 VanDerWaalsContact NE-CD 3.29Å; R455-E517 IonicContact NE-OE1 3.67Å; R455-E517 PolarHBondContact NE-OE1 3.48Å; R455-E517 IonicContact NH2-OE1 3.74Å; R455-E517 PolarHBondContact NH2-OE1 3.32Å |
| 456 | V | 90.4 | Very high | 89.7 | Confident | 17 Ų | 17 | 28.2 Ų | 28.2 | 10% | 0.103 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.3 | -33.9 | 173.6 | 165.8 | 0 | 0 | 0 | 0 | 112.5 | L452 D453 V454 K460 H636 | L452-V456 HydrophobicContact CD1-CG2 4.31Å; L452-V456 HydrophobicContact CG-CG2 4.4Å; L452-V456 WeakPolarHBondContact O-CB 3.31Å; L452-V456 WeakPolarHBondContact O-CG2 3.41Å; L452-V456 PolarHBondContact O-N 3.37Å; D453-V456 PolarHBondContact O-N 2.87Å; V454-V456 VanDerWaalsContact C-N 3.31Å; V454-V456 PolarHBondContact O-N 3.4Å; V456-K460 WeakPolarHBondContact O-CD 3.15Å; V456-K460 WeakPolarHBondContact O-CG 3.34Å; V456-K460 PolarHBondContact O-N 2.9Å; V456-H636 HydrophobicContact CG1-CB 4.05Å |
| 457 | A | 91.5 | Very high | 89.5 | Confident | 15 Ų | 15 | 29.8 Ų | 29.8 | 12% | 0.124 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.3 | -41.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L395 L398 D453 V454 R455 T459 K460 L461 | L395-A457 HydrophobicContact CD2-CB 3.95Å; L398-A457 HydrophobicContact CB-CB 4.04Å; L398-A457 HydrophobicContact CD1-CB 3.73Å; D453-A457 PolarHBondContact O-N 2.87Å; V454-A457 WeakPolarHBondContact O-CB 3.42Å; V454-A457 PolarHBondContact O-N 2.91Å; V454-A457 VanDerWaalsContact O-N 3.09Å; R455-A457 VanDerWaalsContact C-N 3.33Å; R455-A457 PolarHBondContact O-N 3.27Å; A457-T459 PolarHBondContact O-N 2.85Å; A457-K460 WeakPolarHBondContact O-CB 3.44Å; A457-K460 PolarHBondContact O-N 3.16Å; A457-L461 PolarHBondContact O-N 2.87Å |
| 458 | G | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.3 | -44.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V454 R455 K460 L461 S462 | V454-G458 PolarHBondContact O-N 3.46Å; R455-G458 CarbonylContact O-C 3.49Å; R455-G458 WeakPolarHBondContact O-CA 3.23Å; R455-G458 PolarHBondContact O-N 3.21Å; R455-G458 VanDerWaalsContact O-N 3.17Å; G458-K460 VanDerWaalsContact C-N 3.32Å; G458-K460 PolarHBondContact O-N 2.69Å; G458-L461 PolarHBondContact O-N 3.4Å; G458-S462 WeakPolarHBondContact O-CB 3.26Å; G458-S462 PolarHBondContact O-N 3.5Å; G458-S462 PolarHBondContact O-OG 3.36Å |
| 459 | T | 90.6 | Very high | 89 | Confident | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.1 | -40.1 | 174.9 | -44.9 | 0 | 0 | 0 | 0 | 111.7 | R455 A457 S462 L463 L521 R638 | R455-T459 PolarHBondContact O-N 2.72Å; R455-T459 PolarHBondContact O-OG1 2.93Å; A457-T459 PolarHBondContact O-N 2.85Å; T459-S462 PolarHBondContact O-N 3.1Å; T459-L463 WeakPolarHBondContact O-CB 3.28Å; T459-L463 PolarHBondContact O-N 2.89Å; T459-L521 HydrophobicContact CG2-CD1 4.08Å; T459-R638 HydrophobicContact CG2-CG 3.97Å; T459-R638 WeakPolarHBondContact OG1-CD 3.45Å |
| 460 | K | 92.8 | Very high | 88.4 | Confident | 99 Ų | 99 | 38 Ų | 38 | 43% | 0.43 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.1 | -43.9 | 177.5 | -69.9 | 166.2 | -173.4 | 169.3 | 0 | 111.9 | V456 A457 G458 S462 L463 A464 | V456-K460 WeakPolarHBondContact O-CD 3.15Å; V456-K460 WeakPolarHBondContact O-CG 3.34Å; V456-K460 PolarHBondContact O-N 2.9Å; A457-K460 WeakPolarHBondContact O-CB 3.44Å; A457-K460 PolarHBondContact O-N 3.16Å; G458-K460 VanDerWaalsContact C-N 3.32Å; G458-K460 PolarHBondContact O-N 2.69Å; K460-S462 VanDerWaalsContact C-N 3.34Å; K460-L463 PolarHBondContact O-N 3.42Å; K460-A464 VanDerWaalsContact O-CB 3.23Å; K460-A464 WeakPolarHBondContact O-CB 3.37Å; K460-A464 PolarHBondContact O-N 3.27Å |
| 461 | L | 93.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | 174.2 | 178.9 | 58.1 | 0 | 0 | 0 | 110.9 | L398 A401 L439 M442 I443 A457 G458 L463 A464 V465 | L398-L461 HydrophobicContact CD2-CD2 3.86Å; A401-L461 HydrophobicContact CB-CD1 3.71Å; A401-L461 HydrophobicContact CB-CD2 4.01Å; L439-L461 HydrophobicContact CD1-CD1 4.41Å; M442-L461 HydrophobicContact CB-CD2 4.05Å; I443-L461 HydrophobicContact CD1-CG 4.29Å; I443-L461 HydrophobicContact CG1-CB 4.48Å; I443-L461 HydrophobicContact CG1-CD2 3.87Å; I443-L461 HydrophobicContact CG1-CG 3.9Å; A457-L461 PolarHBondContact O-N 2.87Å; G458-L461 PolarHBondContact O-N 3.4Å; L461-L463 PolarHBondContact O-N 3.09Å; L461-A464 CarbonylContact O-C 3.59Å; L461-A464 WeakPolarHBondContact O-CA 3.41Å; L461-A464 WeakPolarHBondContact O-CB 3.4Å; L461-A464 PolarHBondContact O-N 3.15Å; L461-A464 VanDerWaalsContact O-N 3.09Å; L461-V465 HydrophobicContact CD1-CG2 4.22Å; L461-V465 WeakPolarHBondContact O-CG2 3.27Å; L461-V465 PolarHBondContact O-N 3.03Å |
| 462 | S | 91 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 178.6 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | I443 G458 T459 K460 A464 V465 A466 L521 | I443-S462 VanDerWaalsContact CG2-OG 3.26Å; I443-S462 WeakPolarHBondContact CG2-OG 3.33Å; G458-S462 WeakPolarHBondContact O-CB 3.26Å; G458-S462 PolarHBondContact O-N 3.5Å; G458-S462 PolarHBondContact O-OG 3.36Å; T459-S462 PolarHBondContact O-N 3.1Å; K460-S462 VanDerWaalsContact C-N 3.34Å; S462-A464 VanDerWaalsContact C-N 3.28Å; S462-A464 PolarHBondContact O-N 3.47Å; S462-V465 PolarHBondContact O-N 3.27Å; S462-A466 VanDerWaalsContact O-CB 3.29Å; S462-A466 WeakPolarHBondContact O-CB 3.24Å; S462-A466 PolarHBondContact O-N 3.34Å; S462-L521 VanDerWaalsContact CB-CD1 3.47Å |
| 463 | L | 90.7 | Very high | 88.5 | Confident | 48 Ų | 48 | 27.1 Ų | 27.1 | 25% | 0.251 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -64 | -34.3 | 173.4 | -177.5 | 65.6 | 0 | 0 | 0 | 111.8 | T459 K460 L461 S467 L525 T528 | T459-L463 WeakPolarHBondContact O-CB 3.28Å; T459-L463 PolarHBondContact O-N 2.89Å; K460-L463 PolarHBondContact O-N 3.42Å; L461-L463 PolarHBondContact O-N 3.09Å; L463-S467 WeakPolarHBondContact O-CB 3.37Å; L463-S467 PolarHBondContact O-N 3.27Å; L463-S467 PolarHBondContact O-OG 3.41Å; L463-L525 HydrophobicContact CB-CD2 4.42Å; L463-L525 HydrophobicContact CD1-CD2 3.75Å; L463-T528 WeakPolarHBondContact CD1-OG1 3.42Å |
| 464 | A | 89.5 | Confident | 88.3 | Confident | 8 Ų | 8 | 23.2 Ų | 23.2 | 7% | 0.066 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -74.4 | -29 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T402 T405 Q409 K460 L461 S462 S467 | T402-A464 HydrophobicContact CG2-CB 3.92Å; T405-A464 WeakPolarHBondContact OG1-CB 3.36Å; Q409-A464 VanDerWaalsContact NE2-CA 3.31Å; Q409-A464 PolarHBondContact NE2-O 2.95Å; K460-A464 VanDerWaalsContact O-CB 3.23Å; K460-A464 WeakPolarHBondContact O-CB 3.37Å; K460-A464 PolarHBondContact O-N 3.27Å; L461-A464 CarbonylContact O-C 3.59Å; L461-A464 WeakPolarHBondContact O-CA 3.41Å; L461-A464 WeakPolarHBondContact O-CB 3.4Å; L461-A464 PolarHBondContact O-N 3.15Å; L461-A464 VanDerWaalsContact O-N 3.09Å; S462-A464 VanDerWaalsContact C-N 3.28Å; S462-A464 PolarHBondContact O-N 3.47Å; A464-S467 WeakPolarHBondContact CA-OG 3.04Å; A464-S467 PolarHBondContact O-OG 3.36Å |
| 465 | V | 89.8 | Confident | 88.1 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -79.2 | -44.2 | 170.9 | 173.2 | 0 | 0 | 0 | 0 | 111 | T405 A436 L439 I443 L461 S462 S467 L468 C471 V475 | T405-V465 HydrophobicContact CG2-CG2 4.08Å; A436-V465 HydrophobicContact CB-CG1 3.73Å; L439-V465 HydrophobicContact CB-CG2 4.07Å; L439-V465 HydrophobicContact CD1-CG2 3.66Å; I443-V465 HydrophobicContact CD1-CB 4.48Å; I443-V465 HydrophobicContact CD1-CG2 4.24Å; L461-V465 HydrophobicContact CD1-CG2 4.22Å; L461-V465 WeakPolarHBondContact O-CG2 3.27Å; L461-V465 PolarHBondContact O-N 3.03Å; S462-V465 PolarHBondContact O-N 3.27Å; V465-S467 PolarHBondContact O-N 2.76Å; V465-S467 VanDerWaalsContact O-N 3.13Å; V465-L468 HydrophobicContact CG1-CD1 4.35Å; V465-L468 VanDerWaalsContact O-CB 3.26Å; V465-L468 WeakPolarHBondContact O-CB 3.4Å; V465-L468 WeakPolarHBondContact O-CG 3.49Å; V465-L468 PolarHBondContact O-N 2.91Å; V465-C471 WeakPolarHBondContact O-CB 3.37Å; V465-V475 HydrophobicContact CB-CG2 4.41Å; V465-V475 HydrophobicContact CG1-CG2 3.86Å |
| 466 | A | 88.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.3 | -15.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S462 V475 L525 L529 | S462-A466 VanDerWaalsContact O-CB 3.29Å; S462-A466 WeakPolarHBondContact O-CB 3.24Å; S462-A466 PolarHBondContact O-N 3.34Å; A466-V475 HydrophobicContact CB-CB 4.33Å; A466-V475 HydrophobicContact CB-CG2 4.05Å; A466-L525 HydrophobicContact CB-CD1 3.92Å; A466-L525 HydrophobicContact CB-CD2 3.74Å; A466-L525 HydrophobicContact CB-CG 4.49Å; A466-L529 HydrophobicContact CB-CD1 3.76Å; A466-L529 WeakPolarHBondContact O-CD1 3.48Å |
| 467 | S | 85.3 | Confident | 87.7 | Confident | 33 Ų | 33 | 26.9 Ų | 26.9 | 23% | 0.231 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 7.2 | 173.6 | 49.9 | 0 | 0 | 0 | 0 | 114.4 | Q409 L463 A464 V465 | Q409-S467 PolarHBondContact NE2-OG 3.16Å; L463-S467 WeakPolarHBondContact O-CB 3.37Å; L463-S467 PolarHBondContact O-N 3.27Å; L463-S467 PolarHBondContact O-OG 3.41Å; A464-S467 WeakPolarHBondContact CA-OG 3.04Å; A464-S467 PolarHBondContact O-OG 3.36Å; V465-S467 PolarHBondContact O-N 2.76Å; V465-S467 VanDerWaalsContact O-N 3.13Å |
| 468 | L | 85 | Confident | 87.4 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -75.8 | 153.7 | 162.5 | -61 | 172.4 | 0 | 0 | 0 | 110 | T405 F408 F435 V465 F470 C471 | T405-L468 HydrophobicContact CG2-CD1 4.4Å; F408-L468 HydrophobicContact CB-CD2 3.53Å; F408-L468 HydrophobicContact CD2-CD2 4.48Å; F408-L468 HydrophobicContact CG-CD2 4.43Å; F435-L468 HydrophobicContact CD1-CD1 3.96Å; F435-L468 HydrophobicContact CE1-CD1 4.35Å; V465-L468 HydrophobicContact CG1-CD1 4.35Å; V465-L468 VanDerWaalsContact O-CB 3.26Å; V465-L468 WeakPolarHBondContact O-CB 3.4Å; V465-L468 WeakPolarHBondContact O-CG 3.49Å; V465-L468 PolarHBondContact O-N 2.91Å; L468-F470 PolarHBondContact O-N 2.9Å; L468-C471 HydrophobicContact CB-CB 3.97Å; L468-C471 PolarHBondContact O-N 2.98Å |
| 469 | P | 77.3 | Confident | 87 | Confident | 35 Ų | 35 | 27 Ų | 27 | 23% | 0.227 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -51.7 | 135.1 | 173.1 | -25.6 | 34.9 | 0 | 0 | 0 | 111.8 | C471 | P469-C471 PolarHBondContact O-N 3.39Å; P469-C471 PolarHBondContact O-SG 2.86Å |
| 470 | F | 77 | Confident | 86.4 | Confident | 153 Ų | 153 | 26.8 Ų | 26.8 | 67% | 0.671 | 13% | 0.128 | S | C | * | . | S | Bend | trans | 61.7 | -17.7 | 177.5 | -45.4 | -71.5 | 0 | 0 | 0 | 117.1 | A429 L468 A472 | A429-F470 HydrophobicContact CB-CD2 4.37Å; L468-F470 PolarHBondContact O-N 2.9Å; F470-A472 VanDerWaalsContact C-N 3.33Å; F470-A472 PolarHBondContact O-N 3.36Å |
| 471 | C | 86 | Confident | 85.7 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -12.2 | -171.9 | -60.3 | 0 | 0 | 0 | 0 | 116.2 | A436 V465 L468 P469 M473 I474 V475 | A436-C471 HydrophobicContact CB-CB 4.3Å; V465-C471 WeakPolarHBondContact O-CB 3.37Å; L468-C471 HydrophobicContact CB-CB 3.97Å; L468-C471 PolarHBondContact O-N 2.98Å; P469-C471 PolarHBondContact O-N 3.39Å; P469-C471 PolarHBondContact O-SG 2.86Å; C471-M473 VanDerWaalsContact C-N 3.34Å; C471-M473 PolarHBondContact O-N 3.21Å; C471-I474 WeakPolarHBondContact O-CB 3.38Å; C471-I474 PolarHBondContact O-N 3.39Å; C471-V475 PolarHBondContact O-N 3.26Å; C471-V475 VanDerWaalsContact O-N 3.1Å |
| 472 | A | 87 | Confident | 85.1 | Confident | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.8 | -46 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F470 I474 V475 V476 L529 E533 F534 | F470-A472 VanDerWaalsContact C-N 3.33Å; F470-A472 PolarHBondContact O-N 3.36Å; A472-I474 VanDerWaalsContact C-N 3.32Å; A472-I474 PolarHBondContact O-N 2.93Å; A472-V475 PolarHBondContact O-N 3.09Å; A472-V476 WeakPolarHBondContact O-CG2 3.22Å; A472-V476 PolarHBondContact O-N 2.88Å; A472-L529 HydrophobicContact CB-CD1 4.41Å; A472-E533 HydrophobicContact CB-CB 3.93Å; A472-F534 HydrophobicContact CB-CE1 4.34Å |
| 473 | M | 87.5 | Confident | 84.6 | Confident | 23 Ų | 23 | 29.1 Ų | 29.1 | 11% | 0.113 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.1 | -21 | 176.6 | -77.9 | -58.6 | -63.9 | 0 | 0 | 113.8 | C471 V476 R477 E533 F534 D535 E538 | C471-M473 VanDerWaalsContact C-N 3.34Å; C471-M473 PolarHBondContact O-N 3.21Å; M473-V476 HydrophobicContact CE-CB 4.4Å; M473-V476 HydrophobicContact CE-CG1 3.97Å; M473-V476 PolarHBondContact O-N 3.12Å; M473-V476 HydrophobicContact SD-CB 4.13Å; M473-V476 HydrophobicContact SD-CG1 4.12Å; M473-V476 HydrophobicContact SD-CG2 4.19Å; M473-R477 WeakPolarHBondContact O-CB 3.3Å; M473-R477 VanDerWaalsContact O-CG 3.28Å; M473-R477 WeakPolarHBondContact O-CG 3.31Å; M473-R477 PolarHBondContact O-N 2.85Å; M473-E533 WeakPolarHBondContact CG-O 3.44Å; M473-F534 HydrophobicContact SD-CB 4.37Å; M473-F534 HydrophobicContact SD-CD1 4.28Å; M473-D535 HydrophobicContact CE-CB 3.9Å; M473-D535 HydrophobicContact SD-CB 4.33Å; M473-D535 PolarHBondContact SD-N 3.38Å; M473-E538 HydrophobicContact CE-CB 4.07Å; M473-E538 HydrophobicContact CE-CG 4.18Å; M473-E538 WeakPolarHBondContact CE-OE2 3.47Å |
| 474 | I | 85.7 | Confident | 83.9 | Confident | 19 Ų | 19 | 27.2 Ų | 27.2 | 10% | 0.097 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.1 | -47.5 | 172.3 | -55.4 | 178.7 | 0 | 0 | 0 | 109.1 | D433 C471 A472 V476 R477 E478 | D433-I474 HydrophobicContact CB-CD1 3.8Å; D433-I474 VanDerWaalsContact OD1-CD1 3.28Å; D433-I474 WeakPolarHBondContact OD1-CD1 3.4Å; C471-I474 WeakPolarHBondContact O-CB 3.38Å; C471-I474 PolarHBondContact O-N 3.39Å; A472-I474 VanDerWaalsContact C-N 3.32Å; A472-I474 PolarHBondContact O-N 2.93Å; I474-V476 VanDerWaalsContact C-N 3.25Å; I474-V476 PolarHBondContact O-N 3.23Å; I474-R477 PolarHBondContact O-N 3.33Å; I474-E478 HydrophobicContact CG2-CG 3.87Å; I474-E478 VanDerWaalsContact O-CB 3.24Å; I474-E478 WeakPolarHBondContact O-CB 3.47Å; I474-E478 VanDerWaalsContact O-CG 3.27Å; I474-E478 WeakPolarHBondContact O-CG 3.24Å; I474-E478 PolarHBondContact O-N 2.89Å |
| 475 | V | 88.2 | Confident | 82.9 | Confident | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.024 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.8 | -34.5 | 176.1 | -177.6 | 0 | 0 | 0 | 0 | 111.6 | V465 A466 C471 A472 V479 G480 L521 I522 L525 | V465-V475 HydrophobicContact CB-CG2 4.41Å; V465-V475 HydrophobicContact CG1-CG2 3.86Å; A466-V475 HydrophobicContact CB-CB 4.33Å; A466-V475 HydrophobicContact CB-CG2 4.05Å; C471-V475 PolarHBondContact O-N 3.26Å; C471-V475 VanDerWaalsContact O-N 3.1Å; A472-V475 PolarHBondContact O-N 3.09Å; V475-V479 HydrophobicContact CG1-CB 4.3Å; V475-V479 HydrophobicContact CG1-CG2 3.98Å; V475-V479 WeakPolarHBondContact O-CA 3.44Å; V475-V479 VanDerWaalsContact O-CB 3.31Å; V475-V479 WeakPolarHBondContact O-CB 3.33Å; V475-V479 PolarHBondContact O-N 3.11Å; V475-G480 PolarHBondContact O-N 3Å; V475-L521 HydrophobicContact CG1-CD2 4.22Å; V475-I522 HydrophobicContact CG1-CD1 4.49Å; V475-L525 HydrophobicContact CB-CD1 4.31Å; V475-L525 HydrophobicContact CG1-CD1 3.76Å |
| 476 | V | 87.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -64.1 | -51.2 | 172.1 | 167.2 | 0 | 0 | 0 | 0 | 112.4 | A472 M473 I474 G480 G481 I522 F534 V539 I543 | A472-V476 WeakPolarHBondContact O-CG2 3.22Å; A472-V476 PolarHBondContact O-N 2.88Å; M473-V476 HydrophobicContact CE-CB 4.4Å; M473-V476 HydrophobicContact CE-CG1 3.97Å; M473-V476 PolarHBondContact O-N 3.12Å; M473-V476 HydrophobicContact SD-CB 4.13Å; M473-V476 HydrophobicContact SD-CG1 4.12Å; M473-V476 HydrophobicContact SD-CG2 4.19Å; I474-V476 VanDerWaalsContact C-N 3.25Å; I474-V476 PolarHBondContact O-N 3.23Å; V476-G480 CarbonylContact O-C 3.55Å; V476-G480 WeakPolarHBondContact O-CA 3.48Å; V476-G480 PolarHBondContact O-N 3.42Å; V476-G480 VanDerWaalsContact O-N 3.13Å; V476-G481 PolarHBondContact O-N 3.44Å; V476-I522 HydrophobicContact CG2-CD1 4.14Å; V476-I522 HydrophobicContact CG2-CG2 4.17Å; V476-F534 HydrophobicContact CG2-CD1 3.93Å; V476-F534 HydrophobicContact CG2-CE1 3.96Å; V476-V539 HydrophobicContact CG1-CG2 3.78Å; V476-V539 HydrophobicContact CG2-CG2 4.43Å; V476-I543 HydrophobicContact CG1-CD1 3.88Å |
| 477 | R | 86 | Confident | 79.3 | Confident | 116 Ų | 116 | 34.6 Ų | 34.6 | 44% | 0.438 | 16% | 0.158 | S | C | . | . | I | π-helix | trans | -67.7 | -42.6 | -177 | -74.4 | 170.2 | 177.1 | 161.1 | 5.2 | 112.6 | M473 I474 G481 R482 E538 L542 | M473-R477 WeakPolarHBondContact O-CB 3.3Å; M473-R477 VanDerWaalsContact O-CG 3.28Å; M473-R477 WeakPolarHBondContact O-CG 3.31Å; M473-R477 PolarHBondContact O-N 2.85Å; I474-R477 PolarHBondContact O-N 3.33Å; R477-G481 CarbonylContact O-C 3.56Å; R477-G481 WeakPolarHBondContact O-CA 3.36Å; R477-G481 PolarHBondContact O-N 3.3Å; R477-R482 PolarHBondContact O-N 3Å; R477-E538 IonicContact CZ-OE1 3.66Å; R477-E538 IonicContact CZ-OE2 3.41Å; R477-E538 IonicContact NE-OE1 3.61Å; R477-E538 PolarHBondContact NE-OE1 3.5Å; R477-E538 IonicContact NE-OE2 3.41Å; R477-E538 PolarHBondContact NE-OE2 2.87Å; R477-E538 IonicContact NH2-OE1 2.67Å; R477-E538 PolarHBondContact NH2-OE1 3.35Å; R477-E538 IonicContact NH2-OE2 2.58Å; R477-E538 PolarHBondContact NH2-OE2 3.24Å; R477-L542 HydrophobicContact CB-CD1 4.38Å; R477-L542 HydrophobicContact CG-CD1 3.79Å |
| 478 | E | 83.5 | Confident | 77.4 | Confident | 18 Ų | 18 | 36.3 Ų | 36.3 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -80.6 | -63.8 | -176.2 | -63 | -61.2 | 120.3 | 0 | 0 | 111.3 | L440 Y444 I474 R482 | L440-E478 HydrophobicContact CD1-CB 3.64Å; L440-E478 HydrophobicContact CD1-CG 4.42Å; L440-E478 HydrophobicContact CD2-CB 3.77Å; L440-E478 HydrophobicContact CD2-CG 3.87Å; L440-E478 WeakPolarHBondContact CD2-OE2 3.39Å; L440-E478 HydrophobicContact CG-CB 4.34Å; Y444-E478 PolarHBondContact OH-O 3.29Å; Y444-E478 VanDerWaalsContact OH-O 3.12Å; I474-E478 HydrophobicContact CG2-CG 3.87Å; I474-E478 VanDerWaalsContact O-CB 3.24Å; I474-E478 WeakPolarHBondContact O-CB 3.47Å; I474-E478 VanDerWaalsContact O-CG 3.27Å; I474-E478 WeakPolarHBondContact O-CG 3.24Å; I474-E478 PolarHBondContact O-N 2.89Å; E478-R482 WeakPolarHBondContact O-CB 3.31Å; E478-R482 PolarHBondContact O-N 2.99Å; E478-R482 IonicContact OE1-CZ 3.43Å; E478-R482 IonicContact OE1-NE 2.75Å; E478-R482 PolarHBondContact OE1-NE 3.4Å; E478-R482 IonicContact OE1-NH2 2.74Å; E478-R482 PolarHBondContact OE1-NH2 2.71Å; E478-R482 WeakPolarHBondContact OE2-CD 3.44Å; E478-R482 IonicContact OE2-CZ 3.53Å; E478-R482 IonicContact OE2-NE 3.15Å; E478-R482 PolarHBondContact OE2-NE 3.35Å; E478-R482 IonicContact OE2-NH1 2.63Å; E478-R482 IonicContact OE2-NH2 3.65Å; E478-R482 PolarHBondContact OE2-NH2 2.93Å |
| 479 | V | 84 | Confident | 75 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -76.3 | -32.9 | -173.3 | -166.9 | 0 | 0 | 0 | 0 | 112.1 | L440 I443 Y444 L447 V475 V483 S518 L521 | L440-V479 HydrophobicContact CD1-CG2 3.49Å; L440-V479 VanDerWaalsContact CD1-CG2 3.49Å; I443-V479 HydrophobicContact CG2-CG1 4.17Å; I443-V479 HydrophobicContact CG2-CG2 3.95Å; Y444-V479 HydrophobicContact CE1-CG2 4.4Å; L447-V479 HydrophobicContact CD1-CG1 3.63Å; V475-V479 HydrophobicContact CG1-CB 4.3Å; V475-V479 HydrophobicContact CG1-CG2 3.98Å; V475-V479 WeakPolarHBondContact O-CA 3.44Å; V475-V479 VanDerWaalsContact O-CB 3.31Å; V475-V479 WeakPolarHBondContact O-CB 3.33Å; V475-V479 PolarHBondContact O-N 3.11Å; V479-V483 WeakPolarHBondContact O-CB 3.33Å; V479-V483 VanDerWaalsContact O-CG2 3.26Å; V479-V483 WeakPolarHBondContact O-CG2 3.38Å; V479-S518 VanDerWaalsContact O-CB 3.23Å; V479-S518 WeakPolarHBondContact O-CB 3.4Å; V479-S518 PolarHBondContact O-OG 3.11Å; V479-S518 VanDerWaalsContact O-OG 3.1Å; V479-L521 HydrophobicContact CB-CD2 4.32Å; V479-L521 HydrophobicContact CG1-CD2 3.76Å |
| 480 | G | 78.5 | Confident | 73 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -81.9 | -66.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | V475 V476 L484 | V475-G480 PolarHBondContact O-N 3Å; V476-G480 CarbonylContact O-C 3.55Å; V476-G480 WeakPolarHBondContact O-CA 3.48Å; V476-G480 PolarHBondContact O-N 3.42Å; V476-G480 VanDerWaalsContact O-N 3.13Å; G480-L484 WeakPolarHBondContact O-CB 3.2Å; G480-L484 WeakPolarHBondContact O-CD1 3.38Å; G480-L484 VanDerWaalsContact O-CG 3.27Å; G480-L484 WeakPolarHBondContact O-CG 3.42Å; G480-L484 PolarHBondContact O-N 3.04Å |
| 481 | G | 79.4 | Confident | 70.8 | Confident | 2 Ų | 2 | 44.7 Ų | 44.7 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -58.7 | -70.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V476 R477 V483 L484 T485 | V476-G481 PolarHBondContact O-N 3.44Å; R477-G481 CarbonylContact O-C 3.56Å; R477-G481 WeakPolarHBondContact O-CA 3.36Å; R477-G481 PolarHBondContact O-N 3.3Å; G481-V483 PolarHBondContact O-N 3.1Å; G481-V483 VanDerWaalsContact O-N 3.16Å; G481-L484 PolarHBondContact O-N 3.34Å; G481-T485 WeakPolarHBondContact O-CG2 3.37Å; G481-T485 PolarHBondContact O-N 3.15Å; G481-T485 PolarHBondContact O-OG1 3.45Å; G481-T485 VanDerWaalsContact O-OG1 3.05Å |
| 482 | R | 79.8 | Confident | 68.4 | Low | 141 Ų | 141 | 49.5 Ų | 49.5 | 53% | 0.532 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -55.1 | -39.4 | -172.5 | -63.3 | -164 | -166.5 | -168.4 | 17.9 | 113.2 | R477 E478 T485 Y486 | R477-R482 PolarHBondContact O-N 3Å; E478-R482 WeakPolarHBondContact O-CB 3.31Å; E478-R482 PolarHBondContact O-N 2.99Å; E478-R482 IonicContact OE1-CZ 3.43Å; E478-R482 IonicContact OE1-NE 2.75Å; E478-R482 PolarHBondContact OE1-NE 3.4Å; E478-R482 IonicContact OE1-NH2 2.74Å; E478-R482 PolarHBondContact OE1-NH2 2.71Å; E478-R482 WeakPolarHBondContact OE2-CD 3.44Å; E478-R482 IonicContact OE2-CZ 3.53Å; E478-R482 IonicContact OE2-NE 3.15Å; E478-R482 PolarHBondContact OE2-NE 3.35Å; E478-R482 IonicContact OE2-NH1 2.63Å; E478-R482 IonicContact OE2-NH2 3.65Å; E478-R482 PolarHBondContact OE2-NH2 2.93Å; R482-T485 WeakPolarHBondContact CA-OG1 3.39Å; R482-T485 PolarHBondContact O-OG1 3.03Å; R482-Y486 PolarHBondContact O-N 3.18Å |
| 483 | V | 80.8 | Confident | 65.7 | Low | 6 Ų | 6 | 55.4 Ų | 55.4 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59 | -55.3 | 176 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | Y444 V479 G481 Y486 L514 H515 | Y444-V483 HydrophobicContact CD1-CG2 4.08Å; Y444-V483 HydrophobicContact CE1-CG2 3.62Å; V479-V483 WeakPolarHBondContact O-CB 3.33Å; V479-V483 VanDerWaalsContact O-CG2 3.26Å; V479-V483 WeakPolarHBondContact O-CG2 3.38Å; G481-V483 PolarHBondContact O-N 3.1Å; G481-V483 VanDerWaalsContact O-N 3.16Å; V483-Y486 WeakPolarHBondContact O-CB 3.19Å; V483-Y486 PolarHBondContact O-N 3.05Å; V483-L514 HydrophobicContact CG1-CD2 4.11Å; V483-L514 HydrophobicContact CG1-CG 3.84Å; V483-L514 HydrophobicContact CG2-CD2 4.32Å; V483-L514 HydrophobicContact CG2-CG 4.47Å; V483-H515 PolarHBondContact O-NE2 3.35Å |
| 484 | L | 76.7 | Confident | 63.1 | Low | 7 Ų | 7 | 62.8 Ų | 62.8 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74.4 | -27.6 | -174 | -63.5 | 169.7 | 0 | 0 | 0 | 112.8 | G480 G481 H515 V519 I543 P546 | G480-L484 WeakPolarHBondContact O-CB 3.2Å; G480-L484 WeakPolarHBondContact O-CD1 3.38Å; G480-L484 VanDerWaalsContact O-CG 3.27Å; G480-L484 WeakPolarHBondContact O-CG 3.42Å; G480-L484 PolarHBondContact O-N 3.04Å; G481-L484 PolarHBondContact O-N 3.34Å; L484-H515 HydrophobicContact CD2-CB 3.66Å; L484-V519 HydrophobicContact CD1-CG2 3.93Å; L484-V519 HydrophobicContact CD2-CG2 4.25Å; L484-I543 HydrophobicContact CD1-CB 4.27Å; L484-I543 HydrophobicContact CD1-CG1 4.26Å; L484-I543 HydrophobicContact CD1-CG2 4.01Å; L484-P546 HydrophobicContact CB-CB 3.68Å; L484-P546 HydrophobicContact CB-CG 4.44Å |
| 485 | T | 67.9 | Low | 60.7 | Low | 51 Ų | 51 | 65.3 Ų | 65.3 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -77.1 | -20.6 | 176.5 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | G481 R482 Y487 S488 P546 | G481-T485 WeakPolarHBondContact O-CG2 3.37Å; G481-T485 PolarHBondContact O-N 3.15Å; G481-T485 PolarHBondContact O-OG1 3.45Å; G481-T485 VanDerWaalsContact O-OG1 3.05Å; R482-T485 WeakPolarHBondContact CA-OG1 3.39Å; R482-T485 PolarHBondContact O-OG1 3.03Å; T485-Y487 PolarHBondContact O-N 3.26Å; T485-Y487 VanDerWaalsContact O-N 3.12Å; T485-S488 PolarHBondContact O-N 2.96Å; T485-S488 PolarHBondContact O-OG 2.93Å; T485-P546 HydrophobicContact CG2-CG 4.32Å |
| 486 | Y | 55.6 | Low | 58.1 | Low | 48 Ų | 48 | 72.4 Ų | 72.4 | 19% | 0.188 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -50.5 | -39.6 | -176 | -173.4 | -101 | 0 | 0 | 0 | 113.4 | R482 V483 Y490 F504 | R482-Y486 PolarHBondContact O-N 3.18Å; V483-Y486 WeakPolarHBondContact O-CB 3.19Å; V483-Y486 PolarHBondContact O-N 3.05Å; Y486-Y490 HydrophobicContact CE1-CD2 4.07Å; Y486-Y490 HydrophobicContact CE1-CE2 4.05Å; Y486-Y490 AromaticContact CZ-CE2 3.86Å; Y486-F504 HydrophobicContact CE2-CB 4.44Å |
| 487 | Y | 47.1 | Very low | 55.4 | Low | 66 Ų | 66 | 80.8 Ų | 80.8 | 26% | 0.259 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -78.4 | -20.2 | 178.3 | -102.9 | -82.9 | 0 | 0 | 0 | 114.9 | T485 I511 H515 | T485-Y487 PolarHBondContact O-N 3.26Å; T485-Y487 VanDerWaalsContact O-N 3.12Å; Y487-I511 HydrophobicContact CD2-CG2 4Å; Y487-I511 HydrophobicContact CE2-CB 4.3Å; Y487-I511 HydrophobicContact CE2-CD1 3.96Å; Y487-I511 HydrophobicContact CE2-CG2 3.71Å; Y487-H515 AromaticContact CD2-CE1 3.99Å |
| 488 | S | 45.6 | Very low | 52.8 | Low | 68 Ų | 68 | 83.9 Ų | 83.9 | 48% | 0.476 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -77.5 | -25.2 | -177.2 | 65.4 | 0 | 0 | 0 | 0 | 114 | T485 T492 | T485-S488 PolarHBondContact O-N 2.96Å; T485-S488 PolarHBondContact O-OG 2.93Å; S488-T492 PolarHBondContact O-OG1 3.31Å; S488-T492 VanDerWaalsContact O-OG1 3.12Å |
| 489 | E | 35.1 | Very low | 50.5 | Low | 111 Ų | 111 | 89.9 Ų | 89.9 | 52% | 0.519 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -89.6 | -25.9 | 170.7 | -64.9 | -156.8 | 103.3 | 0 | 0 | 112.8 | D491 T492 K493 | E489-D491 PolarHBondContact O-N 3.2Å; E489-T492 WeakPolarHBondContact CA-OG1 3.48Å; E489-T492 PolarHBondContact O-N 2.93Å; E489-T492 PolarHBondContact O-OG1 3.07Å; E489-K493 PolarHBondContact O-N 3.11Å; E489-K493 IonicContact OE1-NZ 2.9Å; E489-K493 PolarHBondContact OE1-NZ 2.92Å |
| 490 | Y | 33.8 | Very low | 47.9 | Very low | 118 Ų | 118 | 96.8 Ų | 96.8 | 46% | 0.463 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 179.5 | -126.6 | -89 | 0 | 0 | 0 | 112.9 | Y486 T492 | Y486-Y490 HydrophobicContact CE1-CD2 4.07Å; Y486-Y490 HydrophobicContact CE1-CE2 4.05Å; Y486-Y490 AromaticContact CZ-CE2 3.86Å; Y490-T492 VanDerWaalsContact C-N 3.25Å; Y490-T492 PolarHBondContact O-N 3.33Å |
| 491 | D | 31.1 | Very low | 45.5 | Very low | 136 Ų | 136 | 99.5 Ų | 99.5 | 73% | 0.727 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -0.7 | 176.4 | -79.8 | -19.5 | 0 | 0 | 0 | 113.9 | E489 | E489-D491 PolarHBondContact O-N 3.2Š|
| 492 | T | 36.7 | Very low | 43.5 | Very low | 102 Ų | 102 | 103.8 Ų | 103.8 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.3 | -8.4 | -175.7 | 57.4 | 0 | 0 | 0 | 0 | 115.6 | S488 E489 Y490 | S488-T492 PolarHBondContact O-OG1 3.31Å; S488-T492 VanDerWaalsContact O-OG1 3.12Å; E489-T492 WeakPolarHBondContact CA-OG1 3.48Å; E489-T492 PolarHBondContact O-N 2.93Å; E489-T492 PolarHBondContact O-OG1 3.07Å; Y490-T492 VanDerWaalsContact C-N 3.25Å; Y490-T492 PolarHBondContact O-N 3.33Å |
| 493 | K | 29.7 | Very low | 41.6 | Very low | 127 Ų | 127 | 104.3 Ų | 104.3 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | trans | -138.5 | 61 | -177.7 | -65.9 | 179.5 | -177.4 | 168 | 0 | 113.3 | E489 S495 | E489-K493 PolarHBondContact O-N 3.11Å; E489-K493 IonicContact OE1-NZ 2.9Å; E489-K493 PolarHBondContact OE1-NZ 2.92Å; K493-S495 PolarHBondContact O-N 2.7Å | ||
| 494 | M | 32.6 | Very low | 40.1 | Very low | 179 Ų | 179 | 106 Ų | 106 | 88% | 0.882 | 53% | 0.531 | S | S | * | . | trans | -74.3 | 55.4 | 160.9 | -96.7 | -71.8 | -174.6 | 0 | 0 | 111.2 | ||||
| 495 | S | 34.5 | Very low | 38.9 | Very low | 72 Ų | 72 | 116.1 Ų | 116.1 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -160.7 | 147 | 161.6 | 77.8 | 0 | 0 | 0 | 0 | 111.3 | K493 R497 | K493-S495 PolarHBondContact O-N 2.7Å; S495-R497 PolarHBondContact O-N 3.15Å; S495-R497 VanDerWaalsContact O-N 3.15Å |
| 496 | D | 34.6 | Very low | 38.5 | Very low | 152 Ų | 152 | 116 Ų | 116 | 81% | 0.813 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 67 | 8.2 | 155.4 | -37.4 | -45.3 | 0 | 0 | 0 | 120.5 | ||
| 497 | R | 29.6 | Very low | 38.9 | Very low | 176 Ų | 176 | 116.8 Ų | 116.8 | 66% | 0.664 | 58% | 0.584 | S | S | * | * | trans | -142.2 | 64.9 | 174.3 | -70.3 | -162.5 | -177.5 | -125.3 | -10.2 | 116.3 | S495 E500 | S495-R497 PolarHBondContact O-N 3.15Å; S495-R497 VanDerWaalsContact O-N 3.15Å; R497-E500 IonicContact CZ-OE2 2.67Å; R497-E500 IonicContact NH1-OE1 3.53Å; R497-E500 IonicContact NH1-OE2 3.69Å; R497-E500 PolarHBondContact NH1-OE2 2.94Å | ||
| 498 | E | 32 | Very low | 39.8 | Very low | 182 Ų | 182 | 117.7 Ų | 117.7 | 85% | 0.85 | 60% | 0.597 | S | S | * | * | trans | -75.3 | -34.7 | 169.2 | -61.4 | -160.4 | 129.6 | 0 | 0 | 113.2 | E500 C501 | E498-E500 PolarHBondContact O-N 2.99Å; E498-C501 PolarHBondContact O-N 3.45Å | ||
| 499 | E | 34.7 | Very low | 40.8 | Very low | 144 Ų | 144 | 119.7 Ų | 119.7 | 67% | 0.673 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -28.4 | -163.5 | -60.4 | -167.3 | 134.7 | 0 | 0 | 115.5 | ||
| 500 | E | 29.8 | Very low | 42.8 | Very low | 144 Ų | 144 | 119.3 Ų | 119.3 | 67% | 0.673 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -17 | 178.5 | -74.3 | -177.5 | 120.9 | 0 | 0 | 113.7 | R497 E498 | R497-E500 IonicContact CZ-OE2 2.67Å; R497-E500 IonicContact NH1-OE1 3.53Å; R497-E500 IonicContact NH1-OE2 3.69Å; R497-E500 PolarHBondContact NH1-OE2 2.94Å; E498-E500 PolarHBondContact O-N 2.99Å |
| 501 | C | 29.5 | Very low | 44.9 | Very low | 58 Ų | 58 | 114.3 Ų | 114.3 | 39% | 0.392 | 58% | 0.577 | S | S | . | * | trans | -95.9 | 10.3 | -166.7 | -89.9 | 0 | 0 | 0 | 0 | 116.2 | E498 Y503 | E498-C501 PolarHBondContact O-N 3.45Å; C501-Y503 PolarHBondContact O-N 3.4Å | ||
| 502 | A | 36 | Very low | 47.2 | Very low | 91 Ų | 91 | 109.4 Ų | 109.4 | 75% | 0.752 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -63.3 | -6.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116 | F504 | A502-F504 PolarHBondContact O-N 3.05Š|
| 503 | Y | 40.9 | Very low | 49.5 | Very low | 152 Ų | 152 | 106.6 Ų | 106.6 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -72.2 | -25.9 | -169 | -123.9 | -91.8 | 0 | 0 | 0 | 115.7 | D441 C501 | D441-Y503 PolarHBondContact OD1-OH 3.03Å; C501-Y503 PolarHBondContact O-N 3.4Å |
| 504 | F | 48 | Very low | 52.2 | Low | 42 Ų | 42 | 100.7 Ų | 100.7 | 18% | 0.184 | 51% | 0.505 | C | S | . | . | G | 310 helix | trans | -130.2 | 61.6 | -173.7 | -72.7 | -75.7 | 0 | 0 | 0 | 113.5 | Y444 Y486 A502 L506 L514 | Y444-F504 HydrophobicContact CD1-CE1 4.41Å; Y444-F504 AromaticContact CD1-CZ 3.87Å; Y444-F504 HydrophobicContact CD1-CZ 3.87Å; Y444-F504 AromaticContact CD2-CZ 3.88Å; Y444-F504 HydrophobicContact CD2-CZ 3.88Å; Y444-F504 HydrophobicContact CE1-CZ 4.14Å; Y444-F504 HydrophobicContact CE2-CZ 4.13Å; Y444-F504 HydrophobicContact CG-CE1 4.18Å; Y444-F504 AromaticContact CG-CZ 3.75Å; Y444-F504 HydrophobicContact CG-CZ 3.75Å; Y486-F504 HydrophobicContact CE2-CB 4.44Å; A502-F504 PolarHBondContact O-N 3.05Å; F504-L506 PolarHBondContact O-N 3.35Å; F504-L514 HydrophobicContact CE1-CD2 4.05Å |
| 505 | K | 52.2 | Low | 54.8 | Low | 220 Ų | 220 | 92.3 Ų | 92.3 | 96% | 0.957 | 46% | 0.464 | S | S | * | . | trans | -73.8 | 70.7 | 168.7 | -153.6 | 161.4 | -168.7 | 165.9 | 0 | 110.7 | ||||
| 506 | L | 60.3 | Low | 57.3 | Low | 47 Ų | 47 | 90.8 Ų | 90.8 | 25% | 0.246 | 45% | 0.448 | C | S | . | . | trans | -123 | 146.4 | -166.3 | -151.9 | 77.9 | 0 | 0 | 0 | 110.5 | F504 R510 I511 | F504-L506 PolarHBondContact O-N 3.35Å; L506-R510 HydrophobicContact CD2-CB 3.69Å; L506-R510 HydrophobicContact CG-CB 3.8Å; L506-I511 HydrophobicContact CB-CD1 4.39Å; L506-I511 HydrophobicContact CB-CG1 3.96Å; L506-I511 HydrophobicContact CD2-CG1 3.88Å; L506-I511 HydrophobicContact CG-CG1 4.36Å | ||
| 507 | S | 63.7 | Low | 59.9 | Low | 66 Ų | 66 | 83.7 Ų | 83.7 | 46% | 0.462 | 41% | 0.411 | S | S | . | . | trans | -71.1 | 144.5 | 176.8 | 60.4 | 0 | 0 | 0 | 0 | 112 | D509 R510 I511 | S507-D509 VanDerWaalsContact C-N 3.3Å; S507-D509 PolarHBondContact O-N 3.12Å; S507-R510 WeakPolarHBondContact O-CA 3.04Å; S507-R510 WeakPolarHBondContact O-CB 2.93Å; S507-R510 PolarHBondContact O-N 3.33Å; S507-R510 WeakPolarHBondContact OG-CG 3.36Å; S507-I511 PolarHBondContact O-N 3.46Å; S507-I511 VanDerWaalsContact O-N 3.07Å | ||
| 508 | T | 65.4 | Low | 62.9 | Low | 85 Ų | 85 | 75.3 Ų | 75.3 | 52% | 0.521 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -48.8 | -45.3 | -176.4 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | R510 I511 H512 | T508-R510 VanDerWaalsContact C-N 3.32Å; T508-R510 PolarHBondContact O-N 2.81Å; T508-I511 PolarHBondContact O-N 3.16Å; T508-I511 VanDerWaalsContact O-N 3.09Å; T508-H512 PolarHBondContact O-CD2 2.91Å; T508-H512 PolarHBondContact O-N 3.44Å |
| 509 | D | 67 | Low | 65.6 | Low | 109 Ų | 109 | 66.7 Ų | 66.7 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.3 | -35.2 | 176.6 | -103.7 | -33.1 | 0 | 0 | 0 | 113.8 | S507 L513 K552 | S507-D509 VanDerWaalsContact C-N 3.3Å; S507-D509 PolarHBondContact O-N 3.12Å; D509-L513 WeakPolarHBondContact O-CB 3.35Å; D509-L513 PolarHBondContact O-N 2.9Å; D509-L513 VanDerWaalsContact O-N 3.1Å; D509-K552 IonicContact OD1-NZ 3.17Å; D509-K552 PolarHBondContact OD1-NZ 3.48Å |
| 510 | R | 76.9 | Confident | 68.3 | Low | 103 Ų | 103 | 60.1 Ų | 60.1 | 39% | 0.389 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.6 | -33.3 | 173.6 | -71.2 | -176.9 | -175.3 | -136.1 | 11.8 | 111.8 | L506 S507 T508 L513 L514 | L506-R510 HydrophobicContact CD2-CB 3.69Å; L506-R510 HydrophobicContact CG-CB 3.8Å; S507-R510 WeakPolarHBondContact O-CA 3.04Å; S507-R510 WeakPolarHBondContact O-CB 2.93Å; S507-R510 PolarHBondContact O-N 3.33Å; S507-R510 WeakPolarHBondContact OG-CG 3.36Å; T508-R510 VanDerWaalsContact C-N 3.32Å; T508-R510 PolarHBondContact O-N 2.81Å; R510-L513 PolarHBondContact O-N 2.77Å; R510-L514 WeakPolarHBondContact O-CB 3.42Å; R510-L514 PolarHBondContact O-N 2.83Å |
| 511 | I | 77.4 | Confident | 71.2 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 7% | 0.072 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.7 | -48.2 | 176.9 | -57.3 | 169.6 | 0 | 0 | 0 | 109.7 | Y487 L506 S507 T508 L513 L514 H515 | Y487-I511 HydrophobicContact CD2-CG2 4Å; Y487-I511 HydrophobicContact CE2-CB 4.3Å; Y487-I511 HydrophobicContact CE2-CD1 3.96Å; Y487-I511 HydrophobicContact CE2-CG2 3.71Å; L506-I511 HydrophobicContact CB-CD1 4.39Å; L506-I511 HydrophobicContact CB-CG1 3.96Å; L506-I511 HydrophobicContact CD2-CG1 3.88Å; L506-I511 HydrophobicContact CG-CG1 4.36Å; S507-I511 PolarHBondContact O-N 3.46Å; S507-I511 VanDerWaalsContact O-N 3.07Å; T508-I511 PolarHBondContact O-N 3.16Å; T508-I511 VanDerWaalsContact O-N 3.09Å; I511-L513 VanDerWaalsContact C-N 3.29Å; I511-L513 PolarHBondContact O-N 3.33Å; I511-L514 CarbonylContact O-C 3.58Å; I511-L514 WeakPolarHBondContact O-CA 3.41Å; I511-L514 WeakPolarHBondContact O-CB 3.23Å; I511-L514 PolarHBondContact O-N 2.71Å; I511-L514 VanDerWaalsContact O-N 3.08Å; I511-H515 VanDerWaalsContact CG2-NE2 3.28Å; I511-H515 WeakPolarHBondContact CG2-NE2 3.31Å; I511-H515 PolarHBondContact O-CD2 3.48Å; I511-H515 PolarHBondContact O-N 2.95Å |
| 512 | H | 79.7 | Confident | 74.2 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 15% | 0.153 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -30.9 | 174.8 | -62.3 | -71.1 | 0 | 0 | 0 | 113.8 | T508 Q516 D550 K552 | T508-H512 PolarHBondContact O-CD2 2.91Å; T508-H512 PolarHBondContact O-N 3.44Å; H512-Q516 PolarHBondContact O-N 2.85Å; H512-Q516 VanDerWaalsContact O-N 3.13Å; H512-D550 IonicContact ND1-OD1 3.78Å; H512-K552 HydrophobicContact CB-CB 4.45Å; H512-K552 HydrophobicContact CB-CD 3.42Å; H512-K552 VanDerWaalsContact CB-CD 3.42Å |
| 513 | L | 84.7 | Confident | 76.7 | Confident | 42 Ų | 42 | 46.3 Ų | 46.3 | 22% | 0.22 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -46.1 | 170.5 | 176.6 | 62.5 | 0 | 0 | 0 | 110.6 | D509 R510 I511 H515 Q516 E517 | D509-L513 WeakPolarHBondContact O-CB 3.35Å; D509-L513 PolarHBondContact O-N 2.9Å; D509-L513 VanDerWaalsContact O-N 3.1Å; R510-L513 PolarHBondContact O-N 2.77Å; I511-L513 VanDerWaalsContact C-N 3.29Å; I511-L513 PolarHBondContact O-N 3.33Å; L513-H515 VanDerWaalsContact C-N 3.34Å; L513-H515 PolarHBondContact O-N 3.46Å; L513-Q516 PolarHBondContact O-N 3.11Å; L513-E517 HydrophobicContact CD1-CG 3.93Å; L513-E517 HydrophobicContact CG-CG 4.25Å; L513-E517 WeakPolarHBondContact O-CB 3.12Å; L513-E517 VanDerWaalsContact O-CG 3.23Å; L513-E517 WeakPolarHBondContact O-CG 3.41Å; L513-E517 PolarHBondContact O-N 3.37Å |
| 514 | L | 85.7 | Confident | 79 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 177.3 | -177.1 | 63.8 | 0 | 0 | 0 | 111.8 | L447 V483 F504 R510 I511 E517 S518 | L447-L514 HydrophobicContact CB-CD1 3.53Å; V483-L514 HydrophobicContact CG1-CD2 4.11Å; V483-L514 HydrophobicContact CG1-CG 3.84Å; V483-L514 HydrophobicContact CG2-CD2 4.32Å; V483-L514 HydrophobicContact CG2-CG 4.47Å; F504-L514 HydrophobicContact CE1-CD2 4.05Å; R510-L514 WeakPolarHBondContact O-CB 3.42Å; R510-L514 PolarHBondContact O-N 2.83Å; I511-L514 CarbonylContact O-C 3.58Å; I511-L514 WeakPolarHBondContact O-CA 3.41Å; I511-L514 WeakPolarHBondContact O-CB 3.23Å; I511-L514 PolarHBondContact O-N 2.71Å; I511-L514 VanDerWaalsContact O-N 3.08Å; L514-E517 PolarHBondContact O-N 2.66Å; L514-S518 VanDerWaalsContact O-CB 3.27Å; L514-S518 WeakPolarHBondContact O-CB 3.49Å; L514-S518 PolarHBondContact O-N 3.48Å; L514-S518 PolarHBondContact O-OG 3.06Å |
| 515 | H | 87.9 | Confident | 81 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -50.5 | 172.7 | -72.3 | -158.5 | 0 | 0 | 0 | 111.3 | V483 L484 Y487 I511 L513 S518 V519 D550 V555 | V483-H515 PolarHBondContact O-NE2 3.35Å; L484-H515 HydrophobicContact CD2-CB 3.66Å; Y487-H515 AromaticContact CD2-CE1 3.99Å; I511-H515 VanDerWaalsContact CG2-NE2 3.28Å; I511-H515 WeakPolarHBondContact CG2-NE2 3.31Å; I511-H515 PolarHBondContact O-CD2 3.48Å; I511-H515 PolarHBondContact O-N 2.95Å; L513-H515 VanDerWaalsContact C-N 3.34Å; L513-H515 PolarHBondContact O-N 3.46Å; H515-S518 PolarHBondContact O-N 3.03Å; H515-V519 WeakPolarHBondContact O-CG2 3.47Å; H515-V519 PolarHBondContact O-N 2.63Å; H515-V519 VanDerWaalsContact O-N 3.08Å; H515-D550 IonicContact CE1-OD2 2.66Å; H515-D550 IonicContact CG-OD2 2.65Å; H515-D550 IonicContact ND1-OD2 3.72Å; H515-D550 PolarHBondContact ND1-OD2 2.92Å; H515-V555 HydrophobicContact CB-CG1 4.21Å; H515-V555 HydrophobicContact CB-CG2 3.87Å |
| 516 | Q | 87.9 | Confident | 82.7 | Confident | 39 Ų | 39 | 27 Ų | 27 | 18% | 0.182 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.8 | -44 | 178.8 | -161.1 | -146.5 | -75.2 | 0 | 0 | 111.8 | H512 L513 S518 V519 D520 V555 A558 | H512-Q516 PolarHBondContact O-N 2.85Å; H512-Q516 VanDerWaalsContact O-N 3.13Å; L513-Q516 PolarHBondContact O-N 3.11Å; Q516-S518 VanDerWaalsContact C-N 3.31Å; Q516-S518 PolarHBondContact O-N 3.02Å; Q516-V519 PolarHBondContact O-N 3.24Å; Q516-D520 PolarHBondContact NE2-OD2 3Å; Q516-D520 WeakPolarHBondContact O-CB 3.37Å; Q516-D520 PolarHBondContact O-N 3.21Å; Q516-V555 HydrophobicContact CB-CG2 4.18Å; Q516-A558 HydrophobicContact CG-CB 3.98Å |
| 517 | E | 89.4 | Confident | 84.1 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 2% | 0.019 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.5 | -31.8 | 179.7 | -71.6 | -75.3 | 171.9 | 0 | 0 | 112.3 | R455 L513 L514 D520 L521 R638 | R455-E517 IonicContact CZ-OE1 2.96Å; R455-E517 VanDerWaalsContact NE-CD 3.29Å; R455-E517 IonicContact NE-OE1 3.67Å; R455-E517 PolarHBondContact NE-OE1 3.48Å; R455-E517 IonicContact NH2-OE1 3.74Å; R455-E517 PolarHBondContact NH2-OE1 3.32Å; L513-E517 HydrophobicContact CD1-CG 3.93Å; L513-E517 HydrophobicContact CG-CG 4.25Å; L513-E517 WeakPolarHBondContact O-CB 3.12Å; L513-E517 VanDerWaalsContact O-CG 3.23Å; L513-E517 WeakPolarHBondContact O-CG 3.41Å; L513-E517 PolarHBondContact O-N 3.37Å; L514-E517 PolarHBondContact O-N 2.66Å; E517-D520 PolarHBondContact O-N 3.32Å; E517-L521 VanDerWaalsContact O-CB 3.32Å; E517-L521 WeakPolarHBondContact O-CB 3.39Å; E517-L521 PolarHBondContact O-N 2.89Å; E517-R638 IonicContact OE1-CZ 2.63Å; E517-R638 IonicContact OE1-NH2 3.13Å; E517-R638 PolarHBondContact OE1-NH2 2.93Å; E517-R638 IonicContact OE2-CZ 3.04Å; E517-R638 IonicContact OE2-NE 3.06Å; E517-R638 IonicContact OE2-NH2 2.75Å; E517-R638 PolarHBondContact OE2-NH2 3.5Å |
| 518 | S | 90.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.6 | -45.5 | 173.8 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | V479 L514 H515 Q516 D520 L521 I522 | V479-S518 VanDerWaalsContact O-CB 3.23Å; V479-S518 WeakPolarHBondContact O-CB 3.4Å; V479-S518 PolarHBondContact O-OG 3.11Å; V479-S518 VanDerWaalsContact O-OG 3.1Å; L514-S518 VanDerWaalsContact O-CB 3.27Å; L514-S518 WeakPolarHBondContact O-CB 3.49Å; L514-S518 PolarHBondContact O-N 3.48Å; L514-S518 PolarHBondContact O-OG 3.06Å; H515-S518 PolarHBondContact O-N 3.03Å; Q516-S518 VanDerWaalsContact C-N 3.31Å; Q516-S518 PolarHBondContact O-N 3.02Å; S518-D520 VanDerWaalsContact C-N 3.27Å; S518-D520 PolarHBondContact O-N 2.96Å; S518-L521 PolarHBondContact O-N 3.23Å; S518-I522 WeakPolarHBondContact O-CG1 3.3Å; S518-I522 PolarHBondContact O-N 3.02Å |
| 519 | V | 90 | Very high | 86.1 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.7 | -38.8 | 172.9 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | L484 H515 Q516 T523 I543 V555 A558 C562 | L484-V519 HydrophobicContact CD1-CG2 3.93Å; L484-V519 HydrophobicContact CD2-CG2 4.25Å; H515-V519 WeakPolarHBondContact O-CG2 3.47Å; H515-V519 PolarHBondContact O-N 2.63Å; H515-V519 VanDerWaalsContact O-N 3.08Å; Q516-V519 PolarHBondContact O-N 3.24Å; V519-T523 VanDerWaalsContact O-CB 3.31Å; V519-T523 WeakPolarHBondContact O-CB 3.39Å; V519-T523 PolarHBondContact O-N 3.18Å; V519-T523 PolarHBondContact O-OG1 3.39Å; V519-I543 HydrophobicContact CG2-CG2 4.29Å; V519-V555 HydrophobicContact CG2-CG1 4.39Å; V519-A558 HydrophobicContact CB-CB 4.29Å; V519-A558 HydrophobicContact CG1-CB 3.86Å; V519-C562 HydrophobicContact CG1-CB 4.15Å |
| 520 | D | 90.9 | Very high | 86.9 | Confident | 6 Ų | 6 | 21.1 Ų | 21.1 | 3% | 0.032 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.3 | -38.5 | 177.2 | -70.7 | -15 | 0 | 0 | 0 | 112.7 | Q516 E517 S518 S524 V639 R641 | Q516-D520 PolarHBondContact NE2-OD2 3Å; Q516-D520 WeakPolarHBondContact O-CB 3.37Å; Q516-D520 PolarHBondContact O-N 3.21Å; E517-D520 PolarHBondContact O-N 3.32Å; S518-D520 VanDerWaalsContact C-N 3.27Å; S518-D520 PolarHBondContact O-N 2.96Å; D520-S524 WeakPolarHBondContact O-CB 3.44Å; D520-S524 PolarHBondContact O-N 3.26Å; D520-S524 PolarHBondContact O-OG 2.91Å; D520-V639 HydrophobicContact CB-CG2 4.47Å; D520-R641 IonicContact OD1-CZ 2.64Å; D520-R641 IonicContact OD1-NH1 2.69Å; D520-R641 PolarHBondContact OD1-NH1 3.22Å; D520-R641 IonicContact OD1-NH2 3.96Å; D520-R641 PolarHBondContact OD1-NH2 3.16Å; D520-R641 IonicContact OD2-NH1 3.55Å; D520-R641 PolarHBondContact OD2-NH1 3.35Å |
| 521 | L | 91.4 | Very high | 86.8 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.5 | -53.7 | 172.4 | 171.1 | 62.3 | 0 | 0 | 0 | 110.9 | L447 T459 S462 V475 V479 E517 S518 T523 S524 L525 | L447-L521 HydrophobicContact CD1-CD2 4.11Å; T459-L521 HydrophobicContact CG2-CD1 4.08Å; S462-L521 VanDerWaalsContact CB-CD1 3.47Å; V475-L521 HydrophobicContact CG1-CD2 4.22Å; V479-L521 HydrophobicContact CB-CD2 4.32Å; V479-L521 HydrophobicContact CG1-CD2 3.76Å; E517-L521 VanDerWaalsContact O-CB 3.32Å; E517-L521 WeakPolarHBondContact O-CB 3.39Å; E517-L521 PolarHBondContact O-N 2.89Å; S518-L521 PolarHBondContact O-N 3.23Å; L521-T523 VanDerWaalsContact C-N 3.34Å; L521-T523 PolarHBondContact O-N 3.39Å; L521-S524 CarbonylContact O-C 3.23Å; L521-S524 WeakPolarHBondContact O-CA 3.38Å; L521-S524 WeakPolarHBondContact O-CB 3.46Å; L521-S524 PolarHBondContact O-N 3.41Å; L521-L525 HydrophobicContact CD1-CD1 4.39Å; L521-L525 HydrophobicContact CD1-CD2 4.26Å; L521-L525 HydrophobicContact CD1-CG 4.06Å; L521-L525 HydrophobicContact CG-CD1 4.37Å; L521-L525 HydrophobicContact CG-CG 4.39Å; L521-L525 WeakPolarHBondContact O-CG 3.41Å; L521-L525 PolarHBondContact O-N 2.99Å |
| 522 | I | 91.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.6 | -35.9 | -177.2 | -51.2 | -54.6 | 0 | 0 | 0 | 111.4 | V475 V476 S518 S524 L525 L526 I543 | V475-I522 HydrophobicContact CG1-CD1 4.49Å; V476-I522 HydrophobicContact CG2-CD1 4.14Å; V476-I522 HydrophobicContact CG2-CG2 4.17Å; S518-I522 WeakPolarHBondContact O-CG1 3.3Å; S518-I522 PolarHBondContact O-N 3.02Å; I522-S524 PolarHBondContact O-N 3.05Å; I522-L525 HydrophobicContact CD1-CD1 3.82Å; I522-L525 PolarHBondContact O-N 3.3Å; I522-L526 HydrophobicContact CG2-CD1 4.14Å; I522-L526 HydrophobicContact CG2-CG 4.18Å; I522-L526 WeakPolarHBondContact O-CB 3.47Å; I522-L526 WeakPolarHBondContact O-CG 3.5Å; I522-L526 PolarHBondContact O-N 3.23Å; I522-I543 HydrophobicContact CB-CD1 4.06Å; I522-I543 HydrophobicContact CG1-CD1 3.77Å; I522-I543 HydrophobicContact CG2-CD1 3.75Å |
| 523 | T | 90.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.8 | -37 | 169.9 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | V519 L521 L527 C562 V565 P631 V639 | V519-T523 VanDerWaalsContact O-CB 3.31Å; V519-T523 WeakPolarHBondContact O-CB 3.39Å; V519-T523 PolarHBondContact O-N 3.18Å; V519-T523 PolarHBondContact O-OG1 3.39Å; L521-T523 VanDerWaalsContact C-N 3.34Å; L521-T523 PolarHBondContact O-N 3.39Å; T523-L527 WeakPolarHBondContact O-CD1 3.49Å; T523-L527 VanDerWaalsContact O-CG 3.28Å; T523-L527 WeakPolarHBondContact O-CG 3.34Å; T523-L527 PolarHBondContact O-N 3.05Å; T523-C562 WeakPolarHBondContact OG1-CB 3.39Å; T523-V565 HydrophobicContact CG2-CG2 4.05Å; T523-P631 HydrophobicContact CG2-CG 3.82Å; T523-V639 HydrophobicContact CG2-CG2 3.81Å |
| 524 | S | 89.1 | Confident | 86.9 | Confident | 3 Ų | 3 | 22.7 Ų | 22.7 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -78.1 | -37 | 177.8 | -54.4 | 0 | 0 | 0 | 0 | 113 | D520 L521 I522 L527 T528 L633 S637 | D520-S524 WeakPolarHBondContact O-CB 3.44Å; D520-S524 PolarHBondContact O-N 3.26Å; D520-S524 PolarHBondContact O-OG 2.91Å; L521-S524 CarbonylContact O-C 3.23Å; L521-S524 WeakPolarHBondContact O-CA 3.38Å; L521-S524 WeakPolarHBondContact O-CB 3.46Å; L521-S524 PolarHBondContact O-N 3.41Å; I522-S524 PolarHBondContact O-N 3.05Å; S524-L527 PolarHBondContact O-N 2.9Å; S524-T528 WeakPolarHBondContact O-CB 3.48Å; S524-T528 WeakPolarHBondContact O-CG2 3.48Å; S524-T528 PolarHBondContact O-N 3.34Å; S524-T528 VanDerWaalsContact O-N 3.14Å; S524-T528 PolarHBondContact O-OG1 2.9Å; S524-L633 WeakPolarHBondContact OG-CD2 3.46Å; S524-S637 WeakPolarHBondContact CB-O 3.41Å; S524-S637 PolarHBondContact OG-O 3.39Å |
| 525 | L | 89.4 | Confident | 86.9 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.1 | -48.1 | 174 | -67.3 | -175.6 | 0 | 0 | 0 | 111.1 | L463 A466 V475 L521 I522 L527 T528 L529 F534 | L463-L525 HydrophobicContact CB-CD2 4.42Å; L463-L525 HydrophobicContact CD1-CD2 3.75Å; A466-L525 HydrophobicContact CB-CD1 3.92Å; A466-L525 HydrophobicContact CB-CD2 3.74Å; A466-L525 HydrophobicContact CB-CG 4.49Å; V475-L525 HydrophobicContact CB-CD1 4.31Å; V475-L525 HydrophobicContact CG1-CD1 3.76Å; L521-L525 HydrophobicContact CD1-CD1 4.39Å; L521-L525 HydrophobicContact CD1-CD2 4.26Å; L521-L525 HydrophobicContact CD1-CG 4.06Å; L521-L525 HydrophobicContact CG-CD1 4.37Å; L521-L525 HydrophobicContact CG-CG 4.39Å; L521-L525 WeakPolarHBondContact O-CG 3.41Å; L521-L525 PolarHBondContact O-N 2.99Å; I522-L525 HydrophobicContact CD1-CD1 3.82Å; I522-L525 PolarHBondContact O-N 3.3Å; L525-L527 PolarHBondContact O-N 3.34Å; L525-L527 VanDerWaalsContact O-N 3.1Å; L525-T528 PolarHBondContact O-N 3.07Å; L525-T528 PolarHBondContact O-OG1 3.39Å; L525-L529 HydrophobicContact CD2-CD1 4.25Å; L525-L529 PolarHBondContact O-N 2.98Å; L525-F534 HydrophobicContact CB-CE1 4.35Å; L525-F534 HydrophobicContact CB-CZ 4.05Å |
| 526 | L | 88.4 | Confident | 86.8 | Confident | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -19.4 | 175.6 | -68.1 | 170.6 | 0 | 0 | 0 | 113.6 | I522 F534 V539 V565 V566 H569 | I522-L526 HydrophobicContact CG2-CD1 4.14Å; I522-L526 HydrophobicContact CG2-CG 4.18Å; I522-L526 WeakPolarHBondContact O-CB 3.47Å; I522-L526 WeakPolarHBondContact O-CG 3.5Å; I522-L526 PolarHBondContact O-N 3.23Å; L526-F534 HydrophobicContact CD2-CB 4.29Å; L526-F534 HydrophobicContact CD2-CD1 3.96Å; L526-F534 HydrophobicContact CD2-CD2 3.86Å; L526-F534 HydrophobicContact CD2-CE1 4.19Å; L526-F534 HydrophobicContact CD2-CE2 4.09Å; L526-F534 HydrophobicContact CD2-CG 3.78Å; L526-F534 HydrophobicContact CD2-CZ 4.24Å; L526-V539 HydrophobicContact CD1-CG1 4.28Å; L526-V565 HydrophobicContact CB-CG1 3.63Å; L526-V565 HydrophobicContact CD1-CG1 4.31Å; L526-V566 HydrophobicContact CD1-CG2 3.85Å; L526-H569 PolarHBondContact O-CE1 3.42Å |
| 527 | L | 88.5 | Confident | 86.6 | Confident | 54 Ų | 54 | 28 Ų | 28 | 28% | 0.283 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -7.8 | 176.5 | -74.1 | 175.6 | 0 | 0 | 0 | 114.2 | T523 S524 L525 V565 L630 P631 L633 | T523-L527 WeakPolarHBondContact O-CD1 3.49Å; T523-L527 VanDerWaalsContact O-CG 3.28Å; T523-L527 WeakPolarHBondContact O-CG 3.34Å; T523-L527 PolarHBondContact O-N 3.05Å; S524-L527 PolarHBondContact O-N 2.9Å; L525-L527 PolarHBondContact O-N 3.34Å; L525-L527 VanDerWaalsContact O-N 3.1Å; L527-V565 HydrophobicContact CD1-CG2 4.1Å; L527-V565 HydrophobicContact CD2-CG1 3.96Å; L527-V565 HydrophobicContact CD2-CG2 4Å; L527-V565 HydrophobicContact CG-CG1 4.02Å; L527-V565 HydrophobicContact CG-CG2 4.04Å; L527-L630 HydrophobicContact CD2-CD2 3.99Å; L527-P631 HydrophobicContact CD1-CG 4.14Å; L527-L633 HydrophobicContact CB-CD1 3.98Å; L527-L633 HydrophobicContact CD1-CD1 4.27Å; L527-L633 HydrophobicContact CD1-CD2 4.09Å; L527-L633 HydrophobicContact CD1-CG 4.05Å |
| 528 | T | 85.4 | Confident | 86.3 | Confident | 58 Ų | 58 | 29.8 Ų | 29.8 | 36% | 0.356 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -22.5 | -173.7 | 51.5 | 0 | 0 | 0 | 0 | 114 | L463 S524 L525 L633 | L463-T528 WeakPolarHBondContact CD1-OG1 3.42Å; S524-T528 WeakPolarHBondContact O-CB 3.48Å; S524-T528 WeakPolarHBondContact O-CG2 3.48Å; S524-T528 PolarHBondContact O-N 3.34Å; S524-T528 VanDerWaalsContact O-N 3.14Å; S524-T528 PolarHBondContact O-OG1 2.9Å; L525-T528 PolarHBondContact O-N 3.07Å; L525-T528 PolarHBondContact O-OG1 3.39Å; T528-L633 HydrophobicContact CG2-CD1 3.91Å |
| 529 | L | 86.1 | Confident | 86.1 | Confident | 17 Ų | 17 | 29.8 Ų | 29.8 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -109.2 | 150.1 | 174.3 | -62.8 | 176.5 | 0 | 0 | 0 | 110.4 | A466 A472 L525 F534 | A466-L529 HydrophobicContact CB-CD1 3.76Å; A466-L529 WeakPolarHBondContact O-CD1 3.48Å; A472-L529 HydrophobicContact CB-CD1 4.41Å; L525-L529 HydrophobicContact CD2-CD1 4.25Å; L525-L529 PolarHBondContact O-N 2.98Å; L529-F534 HydrophobicContact CB-CE2 3.75Å; L529-F534 HydrophobicContact CB-CZ 3.87Å; L529-F534 HydrophobicContact CD1-CZ 4.12Å |
| 530 | P | 83.5 | Confident | 85.9 | Confident | 55 Ų | 55 | 29.8 Ų | 29.8 | 36% | 0.357 | 18% | 0.177 | S | C | . | . | trans | -66.6 | 144.9 | 179.1 | 28.1 | -36.1 | 0 | 0 | 0 | 112.6 | S532 E533 | P530-S532 PolarHBondContact O-N 3.44Å; P530-E533 WeakPolarHBondContact CD-OE2 3.33Å; P530-E533 HydrophobicContact CG-CG 4.22Å; P530-E533 PolarHBondContact O-N 3.44Å; P530-E533 VanDerWaalsContact O-N 3.07Å | ||
| 531 | S | 76.2 | Confident | 85.6 | Confident | 61 Ų | 61 | 35.6 Ų | 35.6 | 43% | 0.427 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -59.5 | -17 | -179.6 | 53.5 | 0 | 0 | 0 | 0 | 115 | E533 F534 | S531-E533 PolarHBondContact O-N 2.9Å; S531-F534 PolarHBondContact O-N 2.87Å |
| 532 | S | 78.6 | Confident | 85.3 | Confident | 104 Ų | 104 | 37.5 Ų | 37.5 | 73% | 0.727 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -68.5 | -10.8 | 174.4 | 57 | 0 | 0 | 0 | 0 | 114.6 | P530 | P530-S532 PolarHBondContact O-N 3.44Š|
| 533 | E | 80.7 | Confident | 85.1 | Confident | 46 Ų | 46 | 37.5 Ų | 37.5 | 22% | 0.215 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -97.4 | 3.7 | 178.5 | -66.5 | -176.8 | 143.7 | 0 | 0 | 113.5 | R411 A472 M473 P530 S531 | R411-E533 IonicContact CZ-OE1 2.71Å; R411-E533 IonicContact CZ-OE2 3.38Å; R411-E533 IonicContact NH1-OE1 3.58Å; R411-E533 PolarHBondContact NH1-OE1 3.22Å; R411-E533 IonicContact NH1-OE2 2.75Å; R411-E533 PolarHBondContact NH1-OE2 3.46Å; R411-E533 IonicContact NH2-OE1 2.67Å; R411-E533 PolarHBondContact NH2-OE1 3.14Å; R411-E533 IonicContact NH2-OE2 2.75Å; R411-E533 PolarHBondContact NH2-OE2 3Å; A472-E533 HydrophobicContact CB-CB 3.93Å; M473-E533 WeakPolarHBondContact CG-O 3.44Å; P530-E533 WeakPolarHBondContact CD-OE2 3.33Å; P530-E533 HydrophobicContact CG-CG 4.22Å; P530-E533 PolarHBondContact O-N 3.44Å; P530-E533 VanDerWaalsContact O-N 3.07Å; S531-E533 PolarHBondContact O-N 2.9Å |
| 534 | F | 84.4 | Confident | 84.9 | Confident | 15 Ų | 15 | 37.5 Ų | 37.5 | 7% | 0.066 | 21% | 0.212 | C | C | . | . | trans | -127.6 | 133.4 | -174.4 | -59.2 | -78.4 | 0 | 0 | 0 | 111.7 | A472 M473 V476 L525 L526 L529 S531 L536 | A472-F534 HydrophobicContact CB-CE1 4.34Å; M473-F534 HydrophobicContact SD-CB 4.37Å; M473-F534 HydrophobicContact SD-CD1 4.28Å; V476-F534 HydrophobicContact CG2-CD1 3.93Å; V476-F534 HydrophobicContact CG2-CE1 3.96Å; L525-F534 HydrophobicContact CB-CE1 4.35Å; L525-F534 HydrophobicContact CB-CZ 4.05Å; L526-F534 HydrophobicContact CD2-CB 4.29Å; L526-F534 HydrophobicContact CD2-CD1 3.96Å; L526-F534 HydrophobicContact CD2-CD2 3.86Å; L526-F534 HydrophobicContact CD2-CE1 4.19Å; L526-F534 HydrophobicContact CD2-CE2 4.09Å; L526-F534 HydrophobicContact CD2-CG 3.78Å; L526-F534 HydrophobicContact CD2-CZ 4.24Å; L529-F534 HydrophobicContact CB-CE2 3.75Å; L529-F534 HydrophobicContact CB-CZ 3.87Å; L529-F534 HydrophobicContact CD1-CZ 4.12Å; S531-F534 PolarHBondContact O-N 2.87Å; F534-L536 HydrophobicContact CB-CD1 3.77Å; F534-L536 VanDerWaalsContact O-CD1 3.23Å; F534-L536 WeakPolarHBondContact O-CD1 3.43Å; F534-L536 PolarHBondContact O-N 3.4Å | ||
| 535 | D | 84.8 | Confident | 84.7 | Confident | 77 Ų | 77 | 39.5 Ų | 39.5 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | trans | -82.4 | 97.8 | 161.7 | -172 | -45.3 | 0 | 0 | 0 | 108 | M473 P537 E538 V539 | M473-D535 HydrophobicContact CE-CB 3.9Å; M473-D535 HydrophobicContact SD-CB 4.33Å; M473-D535 PolarHBondContact SD-N 3.38Å; D535-P537 WeakPolarHBondContact OD1-CB 3.19Å; D535-P537 WeakPolarHBondContact OD1-CD 3.36Å; D535-E538 HydrophobicContact CB-CB 3.85Å; D535-E538 PolarHBondContact O-N 3.24Å; D535-E538 VanDerWaalsContact O-N 3.16Å; D535-E538 PolarHBondContact OD1-N 3.05Å; D535-V539 WeakPolarHBondContact O-CG2 3.4Å; D535-V539 PolarHBondContact O-N 3.18Å | ||
| 536 | L | 85.9 | Confident | 84.4 | Confident | 21 Ų | 21 | 40.3 Ų | 40.3 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | -177.3 | -80.2 | 61.8 | 0 | 0 | 0 | 112.3 | F534 E538 V539 C540 H569 L570 | F534-L536 HydrophobicContact CB-CD1 3.77Å; F534-L536 VanDerWaalsContact O-CD1 3.23Å; F534-L536 WeakPolarHBondContact O-CD1 3.43Å; F534-L536 PolarHBondContact O-N 3.4Å; L536-E538 VanDerWaalsContact C-N 3.3Å; L536-E538 PolarHBondContact O-N 3.32Å; L536-V539 PolarHBondContact O-N 3.08Å; L536-C540 PolarHBondContact O-N 3.11Å; L536-C540 PolarHBondContact O-SG 2.9Å; L536-C540 VanDerWaalsContact O-SG 3.39Å; L536-H569 HydrophobicContact CD2-CB 3.67Å; L536-L570 HydrophobicContact CB-CD2 3.87Å; L536-L570 HydrophobicContact CD2-CD2 3.76Å; L536-L570 HydrophobicContact CD2-CG 3.99Å; L536-L570 HydrophobicContact CG-CD2 4.47Å |
| 537 | P | 82.9 | Confident | 84.3 | Confident | 59 Ų | 59 | 40.1 Ų | 40.1 | 38% | 0.383 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -54.5 | -38 | 168.8 | -29.3 | 35.2 | 0 | 0 | 0 | 115.1 | D535 K541 | D535-P537 WeakPolarHBondContact OD1-CB 3.19Å; D535-P537 WeakPolarHBondContact OD1-CD 3.36Å; P537-K541 WeakPolarHBondContact O-CG 3.43Å; P537-K541 PolarHBondContact O-N 3.12Å |
| 538 | E | 84.6 | Confident | 84 | Confident | 42 Ų | 42 | 37.6 Ų | 37.6 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.2 | -42.5 | 175.3 | -165.5 | 178.1 | -178.7 | 0 | 0 | 111.9 | M473 R477 D535 L536 C540 K541 L542 | M473-E538 HydrophobicContact CE-CB 4.07Å; M473-E538 HydrophobicContact CE-CG 4.18Å; M473-E538 WeakPolarHBondContact CE-OE2 3.47Å; R477-E538 IonicContact CZ-OE1 3.66Å; R477-E538 IonicContact CZ-OE2 3.41Å; R477-E538 IonicContact NE-OE1 3.61Å; R477-E538 PolarHBondContact NE-OE1 3.5Å; R477-E538 IonicContact NE-OE2 3.41Å; R477-E538 PolarHBondContact NE-OE2 2.87Å; R477-E538 IonicContact NH2-OE1 2.67Å; R477-E538 PolarHBondContact NH2-OE1 3.35Å; R477-E538 IonicContact NH2-OE2 2.58Å; R477-E538 PolarHBondContact NH2-OE2 3.24Å; D535-E538 HydrophobicContact CB-CB 3.85Å; D535-E538 PolarHBondContact O-N 3.24Å; D535-E538 VanDerWaalsContact O-N 3.16Å; D535-E538 PolarHBondContact OD1-N 3.05Å; L536-E538 VanDerWaalsContact C-N 3.3Å; L536-E538 PolarHBondContact O-N 3.32Å; E538-C540 VanDerWaalsContact C-N 3.28Å; E538-C540 PolarHBondContact O-N 3Å; E538-K541 PolarHBondContact O-N 2.98Å; E538-L542 HydrophobicContact CG-CD1 3.73Å; E538-L542 HydrophobicContact CG-CG 4.05Å; E538-L542 PolarHBondContact O-N 3.41Å |
| 539 | V | 86.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.8 | -41.4 | 172.9 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | V476 L526 D535 L536 K541 I543 V544 V566 | V476-V539 HydrophobicContact CG1-CG2 3.78Å; V476-V539 HydrophobicContact CG2-CG2 4.43Å; L526-V539 HydrophobicContact CD1-CG1 4.28Å; D535-V539 WeakPolarHBondContact O-CG2 3.4Å; D535-V539 PolarHBondContact O-N 3.18Å; L536-V539 PolarHBondContact O-N 3.08Å; V539-K541 PolarHBondContact O-N 3.1Å; V539-I543 HydrophobicContact CG1-CD1 4.29Å; V539-I543 WeakPolarHBondContact O-CB 3.34Å; V539-I543 PolarHBondContact O-N 3.35Å; V539-I543 VanDerWaalsContact O-N 3.09Å; V539-V544 PolarHBondContact O-N 2.98Å; V539-V566 HydrophobicContact CG1-CG2 4.04Å |
| 540 | C | 84.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -58 | -46.2 | 173.8 | -75.1 | 0 | 0 | 0 | 0 | 112 | L536 E538 V544 L545 V581 | L536-C540 PolarHBondContact O-N 3.11Å; L536-C540 PolarHBondContact O-SG 2.9Å; L536-C540 VanDerWaalsContact O-SG 3.39Å; E538-C540 VanDerWaalsContact C-N 3.28Å; E538-C540 PolarHBondContact O-N 3Å; C540-V544 WeakPolarHBondContact O-CB 3.36Å; C540-V544 PolarHBondContact O-N 3.29Å; C540-L545 PolarHBondContact O-N 3.3Å; C540-V581 HydrophobicContact CB-CG2 4.08Å |
| 541 | K | 85.7 | Confident | 83.2 | Confident | 128 Ų | 128 | 37.3 Ų | 37.3 | 56% | 0.557 | 21% | 0.207 | S | C | * | . | I | π-helix | trans | -73.5 | -41.6 | -177 | -68.8 | 173.1 | -177 | 175.8 | 0 | 113.4 | P537 E538 V539 P546 V581 | P537-K541 WeakPolarHBondContact O-CG 3.43Å; P537-K541 PolarHBondContact O-N 3.12Å; E538-K541 PolarHBondContact O-N 2.98Å; V539-K541 PolarHBondContact O-N 3.1Å; K541-P546 WeakPolarHBondContact O-CD 3.49Å; K541-V581 HydrophobicContact CG-CG2 4.44Å |
| 542 | L | 85.2 | Confident | 83.4 | Confident | 43 Ų | 43 | 37.4 Ų | 37.4 | 23% | 0.225 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -82.8 | -26 | -174.1 | -66.2 | -176.8 | 0 | 0 | 0 | 114 | R477 E538 | R477-L542 HydrophobicContact CB-CD1 4.38Å; R477-L542 HydrophobicContact CG-CD1 3.79Å; E538-L542 HydrophobicContact CG-CD1 3.73Å; E538-L542 HydrophobicContact CG-CG 4.05Å; E538-L542 PolarHBondContact O-N 3.41Å |
| 543 | I | 86 | Confident | 83.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -123.8 | -45.9 | -171.9 | -63.8 | 154 | 0 | 0 | 0 | 112.1 | V476 L484 V519 I522 V539 G547 | V476-I543 HydrophobicContact CG1-CD1 3.88Å; L484-I543 HydrophobicContact CD1-CB 4.27Å; L484-I543 HydrophobicContact CD1-CG1 4.26Å; L484-I543 HydrophobicContact CD1-CG2 4.01Å; V519-I543 HydrophobicContact CG2-CG2 4.29Å; I522-I543 HydrophobicContact CB-CD1 4.06Å; I522-I543 HydrophobicContact CG1-CD1 3.77Å; I522-I543 HydrophobicContact CG2-CD1 3.75Å; V539-I543 HydrophobicContact CG1-CD1 4.29Å; V539-I543 WeakPolarHBondContact O-CB 3.34Å; V539-I543 PolarHBondContact O-N 3.35Å; V539-I543 VanDerWaalsContact O-N 3.09Å; I543-G547 WeakPolarHBondContact O-CA 3.27Å; I543-G547 PolarHBondContact O-N 3.42Å |
| 544 | V | 86.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -72.8 | -40.2 | -176.5 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | V539 C540 L548 T559 V563 V581 | V539-V544 PolarHBondContact O-N 2.98Å; C540-V544 WeakPolarHBondContact O-CB 3.36Å; C540-V544 PolarHBondContact O-N 3.29Å; V544-L548 HydrophobicContact CG1-CD1 3.7Å; V544-L548 HydrophobicContact CG1-CG 4.24Å; V544-L548 WeakPolarHBondContact O-CB 3.26Å; V544-L548 WeakPolarHBondContact O-CG 3.49Å; V544-L548 PolarHBondContact O-N 2.95Å; V544-L548 VanDerWaalsContact O-N 3.13Å; V544-T559 HydrophobicContact CB-CG2 4.48Å; V544-T559 HydrophobicContact CG1-CG2 4.32Å; V544-V563 HydrophobicContact CG1-CG2 3.47Å; V544-V563 VanDerWaalsContact CG1-CG2 3.47Å; V544-V563 HydrophobicContact CG2-CG2 4.33Å; V544-V581 HydrophobicContact CB-CG1 3.96Å; V544-V581 HydrophobicContact CG1-CG1 3.71Å |
| 545 | L | 85.7 | Confident | 83.7 | Confident | 44 Ų | 44 | 34.9 Ų | 34.9 | 23% | 0.23 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.7 | -63 | 176 | 173.9 | 60.9 | 0 | 0 | 0 | 111.7 | C540 G547 L548 T549 V581 Q584 A585 | C540-L545 PolarHBondContact O-N 3.3Å; L545-G547 VanDerWaalsContact C-N 3.33Å; L545-G547 PolarHBondContact O-N 3.28Å; L545-L548 PolarHBondContact O-N 3.43Å; L545-T549 HydrophobicContact CD1-CG2 4.42Å; L545-T549 PolarHBondContact O-N 3.04Å; L545-T549 PolarHBondContact O-OG1 2.84Å; L545-V581 HydrophobicContact CB-CG1 3.87Å; L545-V581 HydrophobicContact CB-CG2 4.42Å; L545-Q584 HydrophobicContact CD1-CB 3.88Å; L545-A585 HydrophobicContact CD1-CB 4Å |
| 546 | P | 83.7 | Confident | 83.8 | Confident | 19 Ų | 19 | 31.5 Ų | 31.5 | 12% | 0.123 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.9 | -42.3 | 176.2 | -30 | 37.8 | 0 | 0 | 0 | 114.3 | L484 T485 K541 L548 T549 D550 | L484-P546 HydrophobicContact CB-CB 3.68Å; L484-P546 HydrophobicContact CB-CG 4.44Å; T485-P546 HydrophobicContact CG2-CG 4.32Å; K541-P546 WeakPolarHBondContact O-CD 3.49Å; P546-L548 VanDerWaalsContact C-N 3.27Å; P546-L548 PolarHBondContact O-N 2.95Å; P546-T549 WeakPolarHBondContact CA-OG1 3.34Å; P546-T549 PolarHBondContact O-N 3.37Å; P546-T549 VanDerWaalsContact O-N 3.12Å; P546-T549 PolarHBondContact O-OG1 2.58Å; P546-D550 PolarHBondContact O-N 2.89Å |
| 547 | G | 85 | Confident | 83.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.9 | -17.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | I543 L545 R556 T559 | I543-G547 WeakPolarHBondContact O-CA 3.27Å; I543-G547 PolarHBondContact O-N 3.42Å; L545-G547 VanDerWaalsContact C-N 3.33Å; L545-G547 PolarHBondContact O-N 3.28Å; G547-R556 WeakPolarHBondContact O-CA 3.45Å; G547-T559 VanDerWaalsContact CA-OG1 3.29Å; G547-T559 WeakPolarHBondContact CA-OG1 3.28Å; G547-T559 WeakPolarHBondContact O-CB 3.39Å; G547-T559 PolarHBondContact O-OG1 2.88Å |
| 548 | L | 83.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -91.5 | -20 | 170.5 | -69.2 | 176 | 0 | 0 | 0 | 112.5 | V544 L545 P546 R556 T559 L560 V563 V582 A585 L617 | V544-L548 HydrophobicContact CG1-CD1 3.7Å; V544-L548 HydrophobicContact CG1-CG 4.24Å; V544-L548 WeakPolarHBondContact O-CB 3.26Å; V544-L548 WeakPolarHBondContact O-CG 3.49Å; V544-L548 PolarHBondContact O-N 2.95Å; V544-L548 VanDerWaalsContact O-N 3.13Å; L545-L548 PolarHBondContact O-N 3.43Å; P546-L548 VanDerWaalsContact C-N 3.27Å; P546-L548 PolarHBondContact O-N 2.95Å; L548-R556 WeakPolarHBondContact O-CD 3.34Å; L548-R556 WeakPolarHBondContact O-CG 3.44Å; L548-T559 HydrophobicContact CD2-CG2 3.88Å; L548-T559 HydrophobicContact CG-CG2 3.76Å; L548-L560 HydrophobicContact CD2-CD2 4.39Å; L548-V563 HydrophobicContact CD1-CG2 4.43Å; L548-V582 HydrophobicContact CD1-CG2 3.99Å; L548-A585 HydrophobicContact CB-CB 3.92Å; L548-A585 HydrophobicContact CD1-CB 4.47Å; L548-L617 HydrophobicContact CB-CD2 4.11Å; L548-L617 HydrophobicContact CD1-CD2 4.15Å; L548-L617 HydrophobicContact CD2-CD1 4.34Å |
| 549 | T | 79.1 | Confident | 84.1 | Confident | 24 Ų | 24 | 26 Ų | 26 | 15% | 0.147 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -92.4 | -8.7 | 177.1 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | L545 P546 A585 F588 | L545-T549 HydrophobicContact CD1-CG2 4.42Å; L545-T549 PolarHBondContact O-N 3.04Å; L545-T549 PolarHBondContact O-OG1 2.84Å; P546-T549 WeakPolarHBondContact CA-OG1 3.34Å; P546-T549 PolarHBondContact O-N 3.37Å; P546-T549 VanDerWaalsContact O-N 3.12Å; P546-T549 PolarHBondContact O-OG1 2.58Å; T549-A585 HydrophobicContact CG2-CB 3.89Å; T549-F588 HydrophobicContact CG2-CB 3.79Å; T549-F588 HydrophobicContact CG2-CD1 3.46Å; T549-F588 VanDerWaalsContact CG2-CD1 3.46Å; T549-F588 HydrophobicContact CG2-CE1 4.23Å; T549-F588 HydrophobicContact CG2-CG 3.77Å |
| 550 | D | 82 | Confident | 84 | Confident | 15 Ų | 15 | 26 Ų | 26 | 8% | 0.08 | 13% | 0.13 | C | C | . | . | trans | -56.7 | 134.6 | 178.8 | -168.9 | -69 | 0 | 0 | 0 | 113.4 | H512 H515 P546 K552 V555 R556 | H512-D550 IonicContact ND1-OD1 3.78Å; H515-D550 IonicContact CE1-OD2 2.66Å; H515-D550 IonicContact CG-OD2 2.65Å; H515-D550 IonicContact ND1-OD2 3.72Å; H515-D550 PolarHBondContact ND1-OD2 2.92Å; P546-D550 PolarHBondContact O-N 2.89Å; D550-K552 VanDerWaalsContact C-N 3.28Å; D550-K552 PolarHBondContact O-N 3.37Å; D550-K552 WeakPolarHBondContact OD1-CA 3.4Å; D550-K552 WeakPolarHBondContact OD1-CB 3.46Å; D550-K552 PolarHBondContact OD1-N 3.47Å; D550-V555 HydrophobicContact CB-CB 3.83Å; D550-V555 HydrophobicContact CB-CG1 3.72Å; D550-R556 HydrophobicContact CB-CG 4.38Å; D550-R556 WeakPolarHBondContact O-CD 3.33Å; D550-R556 WeakPolarHBondContact O-CG 3.23Å; D550-R556 PolarHBondContact O-NE 3.41Å | ||
| 551 | L | 76 | Confident | 84.1 | Confident | 86 Ų | 86 | 26.4 Ų | 26.4 | 45% | 0.45 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -58.4 | -36.9 | -179 | -59.1 | 176.5 | 0 | 0 | 0 | 112.8 | L553 | L551-L553 PolarHBondContact O-N 3.44Š|
| 552 | K | 80.5 | Confident | 84.2 | Confident | 62 Ų | 62 | 20.3 Ų | 20.3 | 27% | 0.27 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -84.7 | 113.7 | -174.7 | -150.1 | 166.4 | -160.6 | 158.5 | 0 | 110.1 | D509 H512 D550 L554 V555 R556 | D509-K552 IonicContact OD1-NZ 3.17Å; D509-K552 PolarHBondContact OD1-NZ 3.48Å; H512-K552 HydrophobicContact CB-CB 4.45Å; H512-K552 HydrophobicContact CB-CD 3.42Å; H512-K552 VanDerWaalsContact CB-CD 3.42Å; D550-K552 VanDerWaalsContact C-N 3.28Å; D550-K552 PolarHBondContact O-N 3.37Å; D550-K552 WeakPolarHBondContact OD1-CA 3.4Å; D550-K552 WeakPolarHBondContact OD1-CB 3.46Å; D550-K552 PolarHBondContact OD1-N 3.47Å; K552-L554 HydrophobicContact CG-CD1 4.5Å; K552-L554 PolarHBondContact O-N 3.45Å; K552-V555 HydrophobicContact CB-CG2 4.42Å; K552-V555 PolarHBondContact O-N 3.32Å; K552-R556 PolarHBondContact O-N 2.97Å |
| 553 | L | 81 | Confident | 84.3 | Confident | 55 Ų | 55 | 18.2 Ų | 18.2 | 29% | 0.288 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -45.9 | -33.4 | 178.7 | 176.6 | 62.4 | 0 | 0 | 0 | 114.2 | L551 V555 R556 I557 L654 V655 | L551-L553 PolarHBondContact O-N 3.44Å; L553-V555 PolarHBondContact O-N 3Å; L553-R556 PolarHBondContact O-N 2.9Å; L553-I557 HydrophobicContact CD1-CD1 3.95Å; L553-I557 HydrophobicContact CD1-CG1 4.07Å; L553-I557 HydrophobicContact CD2-CD1 4.36Å; L553-I557 HydrophobicContact CG-CD1 3.77Å; L553-I557 HydrophobicContact CG-CG1 4.32Å; L553-I557 WeakPolarHBondContact O-CB 3.32Å; L553-I557 VanDerWaalsContact O-CG1 3.26Å; L553-I557 WeakPolarHBondContact O-CG1 3.33Å; L553-I557 PolarHBondContact O-N 3.24Å; L553-L654 HydrophobicContact CD1-CB 3.43Å; L553-L654 VanDerWaalsContact CD1-CB 3.43Å; L553-V655 HydrophobicContact CD2-CG2 3.81Å |
| 554 | L | 82.6 | Confident | 84.3 | Confident | 57 Ų | 57 | 18.7 Ų | 18.7 | 30% | 0.298 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -59.5 | -41 | 176 | -74.7 | 156.1 | 0 | 0 | 0 | 113.2 | K552 A558 Y645 | K552-L554 HydrophobicContact CG-CD1 4.5Å; K552-L554 PolarHBondContact O-N 3.45Å; L554-A558 PolarHBondContact O-N 2.78Å; L554-Y645 HydrophobicContact CD2-CD1 4.49Å; L554-Y645 HydrophobicContact CD2-CE1 3.58Å; L554-Y645 WeakPolarHBondContact CD2-OH 3.37Å |
| 555 | V | 86 | Confident | 84.4 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.2 | -47.2 | 177 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | H515 Q516 V519 D550 K552 L553 I557 A558 T559 | H515-V555 HydrophobicContact CB-CG1 4.21Å; H515-V555 HydrophobicContact CB-CG2 3.87Å; Q516-V555 HydrophobicContact CB-CG2 4.18Å; V519-V555 HydrophobicContact CG2-CG1 4.39Å; D550-V555 HydrophobicContact CB-CB 3.83Å; D550-V555 HydrophobicContact CB-CG1 3.72Å; K552-V555 HydrophobicContact CB-CG2 4.42Å; K552-V555 PolarHBondContact O-N 3.32Å; L553-V555 PolarHBondContact O-N 3Å; V555-I557 VanDerWaalsContact C-N 3.28Å; V555-I557 PolarHBondContact O-N 3.03Å; V555-A558 CarbonylContact O-C 3.53Å; V555-A558 WeakPolarHBondContact O-CA 3.49Å; V555-A558 WeakPolarHBondContact O-CB 3.43Å; V555-A558 PolarHBondContact O-N 3.11Å; V555-T559 PolarHBondContact O-N 3.03Å; V555-T559 PolarHBondContact O-OG1 3.39Å |
| 556 | R | 86.5 | Confident | 84.4 | Confident | 7 Ų | 7 | 16.7 Ų | 16.7 | 3% | 0.026 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -59.1 | -37.1 | 176.6 | -61.3 | -169.6 | -76.9 | 129.8 | 7.1 | 112.9 | G547 L548 D550 K552 L553 T559 L560 L654 T657 | G547-R556 WeakPolarHBondContact O-CA 3.45Å; L548-R556 WeakPolarHBondContact O-CD 3.34Å; L548-R556 WeakPolarHBondContact O-CG 3.44Å; D550-R556 HydrophobicContact CB-CG 4.38Å; D550-R556 WeakPolarHBondContact O-CD 3.33Å; D550-R556 WeakPolarHBondContact O-CG 3.23Å; D550-R556 PolarHBondContact O-NE 3.41Å; K552-R556 PolarHBondContact O-N 2.97Å; L553-R556 PolarHBondContact O-N 2.9Å; R556-T559 PolarHBondContact O-N 3.12Å; R556-L560 PolarHBondContact O-N 3.25Å; R556-L654 HydrophobicContact CB-CD1 3.88Å; R556-L654 HydrophobicContact CB-CD2 4.42Å; R556-L654 PolarHBondContact NH1-O 2.89Å; R556-L654 PolarHBondContact NH2-O 2.73Å; R556-T657 PolarHBondContact NH1-OG1 2.91Å |
| 557 | I | 84.3 | Confident | 84.5 | Confident | 5 Ų | 5 | 16 Ų | 16 | 3% | 0.026 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.2 | -39.5 | 171.5 | -71.8 | 171.4 | 0 | 0 | 0 | 111.7 | L553 V555 T559 L560 Y645 V648 A651 L654 | L553-I557 HydrophobicContact CD1-CD1 3.95Å; L553-I557 HydrophobicContact CD1-CG1 4.07Å; L553-I557 HydrophobicContact CD2-CD1 4.36Å; L553-I557 HydrophobicContact CG-CD1 3.77Å; L553-I557 HydrophobicContact CG-CG1 4.32Å; L553-I557 WeakPolarHBondContact O-CB 3.32Å; L553-I557 VanDerWaalsContact O-CG1 3.26Å; L553-I557 WeakPolarHBondContact O-CG1 3.33Å; L553-I557 PolarHBondContact O-N 3.24Å; V555-I557 VanDerWaalsContact C-N 3.28Å; V555-I557 PolarHBondContact O-N 3.03Å; I557-T559 VanDerWaalsContact C-N 3.34Å; I557-L560 PolarHBondContact O-N 3.48Å; I557-Y645 HydrophobicContact CD1-CD1 4.38Å; I557-V648 HydrophobicContact CG2-CG1 4.34Å; I557-V648 HydrophobicContact CG2-CG2 4.28Å; I557-A651 HydrophobicContact CD1-CB 3.86Å; I557-A651 HydrophobicContact CG1-CB 3.83Å; I557-L654 HydrophobicContact CG1-CD1 4.06Å |
| 558 | A | 86.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q516 V519 L554 V555 L560 D561 C562 R641 | Q516-A558 HydrophobicContact CG-CB 3.98Å; V519-A558 HydrophobicContact CB-CB 4.29Å; V519-A558 HydrophobicContact CG1-CB 3.86Å; L554-A558 PolarHBondContact O-N 2.78Å; V555-A558 CarbonylContact O-C 3.53Å; V555-A558 WeakPolarHBondContact O-CA 3.49Å; V555-A558 WeakPolarHBondContact O-CB 3.43Å; V555-A558 PolarHBondContact O-N 3.11Å; A558-L560 VanDerWaalsContact C-N 3.31Å; A558-L560 PolarHBondContact O-N 3.1Å; A558-D561 WeakPolarHBondContact O-CB 3.47Å; A558-D561 PolarHBondContact O-N 3.2Å; A558-C562 PolarHBondContact O-N 3.14Å; A558-R641 VanDerWaalsContact CA-NH2 3.34Å |
| 559 | T | 88.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.1 | -30 | 179 | -48.3 | 0 | 0 | 0 | 0 | 112.3 | V544 G547 L548 V555 R556 I557 D561 C562 V563 | V544-T559 HydrophobicContact CB-CG2 4.48Å; V544-T559 HydrophobicContact CG1-CG2 4.32Å; G547-T559 VanDerWaalsContact CA-OG1 3.29Å; G547-T559 WeakPolarHBondContact CA-OG1 3.28Å; G547-T559 WeakPolarHBondContact O-CB 3.39Å; G547-T559 PolarHBondContact O-OG1 2.88Å; L548-T559 HydrophobicContact CD2-CG2 3.88Å; L548-T559 HydrophobicContact CG-CG2 3.76Å; V555-T559 PolarHBondContact O-N 3.03Å; V555-T559 PolarHBondContact O-OG1 3.39Å; R556-T559 PolarHBondContact O-N 3.12Å; I557-T559 VanDerWaalsContact C-N 3.34Å; T559-D561 VanDerWaalsContact C-N 3.27Å; T559-D561 PolarHBondContact O-N 3.18Å; T559-C562 WeakPolarHBondContact O-CB 3.39Å; T559-C562 PolarHBondContact O-N 2.88Å; T559-V563 WeakPolarHBondContact O-CB 3.22Å; T559-V563 VanDerWaalsContact O-CG2 3.3Å; T559-V563 WeakPolarHBondContact O-CG2 3.37Å; T559-V563 PolarHBondContact O-N 3.18Å |
| 560 | L | 85.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.6 | -31.2 | 169 | -77.5 | -175.7 | 0 | 0 | 0 | 113.3 | L548 R556 I557 A558 A564 V621 R624 L654 | L548-L560 HydrophobicContact CD2-CD2 4.39Å; R556-L560 PolarHBondContact O-N 3.25Å; I557-L560 PolarHBondContact O-N 3.48Å; A558-L560 VanDerWaalsContact C-N 3.31Å; A558-L560 PolarHBondContact O-N 3.1Å; L560-A564 PolarHBondContact O-N 3.2Å; L560-V621 HydrophobicContact CD2-CG2 3.78Å; L560-R624 HydrophobicContact CB-CG 4.1Å; L560-R624 HydrophobicContact CD2-CB 4.36Å; L560-R624 WeakPolarHBondContact O-CG 3.47Å; L560-L654 HydrophobicContact CD1-CD1 3.49Å; L560-L654 VanDerWaalsContact CD1-CD1 3.49Å; L560-L654 HydrophobicContact CD1-CG 4.24Å; L560-L654 HydrophobicContact CG-CD1 3.97Å |
| 561 | D | 86.5 | Confident | 84 | Confident | 9 Ų | 9 | 23.4 Ų | 23.4 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -73.4 | -39 | 172.7 | -72.6 | -33.7 | 0 | 0 | 0 | 111.5 | A558 T559 A564 V565 R624 P631 R641 | A558-D561 WeakPolarHBondContact O-CB 3.47Å; A558-D561 PolarHBondContact O-N 3.2Å; T559-D561 VanDerWaalsContact C-N 3.27Å; T559-D561 PolarHBondContact O-N 3.18Å; D561-A564 PolarHBondContact O-N 3.33Å; D561-V565 PolarHBondContact O-N 3.37Å; D561-R624 IonicContact OD1-CZ 2.71Å; D561-R624 IonicContact OD1-NE 3.28Å; D561-R624 PolarHBondContact OD1-NE 3.29Å; D561-R624 VanDerWaalsContact OD1-NE 3.13Å; D561-R624 IonicContact OD1-NH2 3.47Å; D561-R624 PolarHBondContact OD1-NH2 3.42Å; D561-P631 HydrophobicContact CB-CB 4.15Å; D561-P631 HydrophobicContact CB-CG 4.09Å; D561-R641 IonicContact OD2-CZ 3.27Å; D561-R641 IonicContact OD2-NE 2.7Å; D561-R641 PolarHBondContact OD2-NE 2.77Å; D561-R641 IonicContact OD2-NH2 3.42Å; D561-R641 PolarHBondContact OD2-NH2 2.9Å |
| 562 | C | 88.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61 | -47.4 | 172.7 | -170.4 | 0 | 0 | 0 | 0 | 111.6 | V519 T523 A558 T559 A564 V565 V566 | V519-C562 HydrophobicContact CG1-CB 4.15Å; T523-C562 WeakPolarHBondContact OG1-CB 3.39Å; A558-C562 PolarHBondContact O-N 3.14Å; T559-C562 WeakPolarHBondContact O-CB 3.39Å; T559-C562 PolarHBondContact O-N 2.88Å; C562-A564 VanDerWaalsContact C-N 3.27Å; C562-A564 PolarHBondContact O-N 3.39Å; C562-V565 CarbonylContact O-C 3.54Å; C562-V565 WeakPolarHBondContact O-CA 3.49Å; C562-V565 WeakPolarHBondContact O-CB 3.47Å; C562-V565 PolarHBondContact O-N 3.05Å; C562-V566 WeakPolarHBondContact O-CG2 3.35Å; C562-V566 PolarHBondContact O-N 3.4Å |
| 563 | V | 87.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -52 | -43.1 | 173.9 | 160.9 | 0 | 0 | 0 | 0 | 112 | V544 L548 T559 V565 V566 A567 L578 V621 L625 | V544-V563 HydrophobicContact CG1-CG2 3.47Å; V544-V563 VanDerWaalsContact CG1-CG2 3.47Å; V544-V563 HydrophobicContact CG2-CG2 4.33Å; L548-V563 HydrophobicContact CD1-CG2 4.43Å; T559-V563 WeakPolarHBondContact O-CB 3.22Å; T559-V563 VanDerWaalsContact O-CG2 3.3Å; T559-V563 WeakPolarHBondContact O-CG2 3.37Å; T559-V563 PolarHBondContact O-N 3.18Å; V563-V565 VanDerWaalsContact C-N 3.3Å; V563-V565 PolarHBondContact O-N 3.49Å; V563-V566 PolarHBondContact O-N 3.23Å; V563-A567 WeakPolarHBondContact O-CB 3.37Å; V563-A567 PolarHBondContact O-N 2.81Å; V563-L578 HydrophobicContact CG1-CD1 4.32Å; V563-L578 HydrophobicContact CG1-CD2 4.38Å; V563-V621 HydrophobicContact CG1-CG1 3.92Å; V563-V621 HydrophobicContact CG1-CG2 4.49Å; V563-L625 HydrophobicContact CG1-CD2 4.41Å |
| 564 | A | 85.8 | Confident | 82.4 | Confident | 10 Ų | 10 | 28 Ų | 28 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.9 | -27.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L560 D561 C562 H568 R624 | L560-A564 PolarHBondContact O-N 3.2Å; D561-A564 PolarHBondContact O-N 3.33Å; C562-A564 VanDerWaalsContact C-N 3.27Å; C562-A564 PolarHBondContact O-N 3.39Å; A564-H568 PolarHBondContact O-N 3.03Å; A564-R624 HydrophobicContact CB-CG 4.37Å |
| 565 | V | 87.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -80.8 | -40.9 | 174.3 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | T523 L526 L527 D561 C562 V563 H568 H569 P631 | T523-V565 HydrophobicContact CG2-CG2 4.05Å; L526-V565 HydrophobicContact CB-CG1 3.63Å; L526-V565 HydrophobicContact CD1-CG1 4.31Å; L527-V565 HydrophobicContact CD1-CG2 4.1Å; L527-V565 HydrophobicContact CD2-CG1 3.96Å; L527-V565 HydrophobicContact CD2-CG2 4Å; L527-V565 HydrophobicContact CG-CG1 4.02Å; L527-V565 HydrophobicContact CG-CG2 4.04Å; D561-V565 PolarHBondContact O-N 3.37Å; C562-V565 CarbonylContact O-C 3.54Å; C562-V565 WeakPolarHBondContact O-CA 3.49Å; C562-V565 WeakPolarHBondContact O-CB 3.47Å; C562-V565 PolarHBondContact O-N 3.05Å; V563-V565 VanDerWaalsContact C-N 3.3Å; V563-V565 PolarHBondContact O-N 3.49Å; V565-H568 WeakPolarHBondContact O-CB 3.31Å; V565-H568 PolarHBondContact O-N 3Å; V565-H569 PolarHBondContact O-N 3.18Å; V565-H569 PolarHBondContact O-ND1 3.05Å; V565-P631 HydrophobicContact CG2-CG 3.64Å |
| 566 | V | 86.2 | Confident | 81.9 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.5 | -46.4 | 177.8 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | L526 V539 C562 V563 H568 H569 L570 L578 | L526-V566 HydrophobicContact CD1-CG2 3.85Å; V539-V566 HydrophobicContact CG1-CG2 4.04Å; C562-V566 WeakPolarHBondContact O-CG2 3.35Å; C562-V566 PolarHBondContact O-N 3.4Å; V563-V566 PolarHBondContact O-N 3.23Å; V566-H568 VanDerWaalsContact C-N 3.26Å; V566-H568 PolarHBondContact O-N 3.46Å; V566-H569 PolarHBondContact O-N 3.23Å; V566-L570 HydrophobicContact CG1-CD1 3.93Å; V566-L570 HydrophobicContact CG1-CG 4.22Å; V566-L570 PolarHBondContact O-N 3.02Å; V566-L578 HydrophobicContact CB-CD1 4.43Å; V566-L578 HydrophobicContact CG1-CD1 4.2Å |
| 567 | A | 84.7 | Confident | 81.6 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -35.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V563 H569 G571 L575 L578 L625 W736 | V563-A567 WeakPolarHBondContact O-CB 3.37Å; V563-A567 PolarHBondContact O-N 2.81Å; A567-H569 VanDerWaalsContact C-N 3.3Å; A567-H569 PolarHBondContact O-N 3.34Å; A567-G571 PolarHBondContact O-N 3.31Å; A567-L575 HydrophobicContact CB-CD1 4.02Å; A567-L578 HydrophobicContact CB-CD1 4.15Å; A567-L625 HydrophobicContact CB-CD2 3.56Å; A567-W736 WeakPolarHBondContact O-CH2 3.48Å |
| 568 | H | 83.7 | Confident | 81.4 | Confident | 91 Ų | 91 | 33.1 Ų | 33.1 | 42% | 0.421 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65 | -32 | 174.7 | 177.3 | -91.7 | 0 | 0 | 0 | 112.9 | A564 V565 V566 L630 | A564-H568 PolarHBondContact O-N 3.03Å; V565-H568 WeakPolarHBondContact O-CB 3.31Å; V565-H568 PolarHBondContact O-N 3Å; V566-H568 VanDerWaalsContact C-N 3.26Å; V566-H568 PolarHBondContact O-N 3.46Å; H568-L630 HydrophobicContact CB-CD2 4.31Å |
| 569 | H | 82.3 | Confident | 81.2 | Confident | 58 Ų | 58 | 37.3 Ų | 37.3 | 27% | 0.269 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -87.9 | -28.4 | 178.6 | -67.3 | 105.6 | 0 | 0 | 0 | 114.2 | L526 L536 V565 V566 A567 G571 | L526-H569 PolarHBondContact O-CE1 3.42Å; L536-H569 HydrophobicContact CD2-CB 3.67Å; V565-H569 PolarHBondContact O-N 3.18Å; V565-H569 PolarHBondContact O-ND1 3.05Å; V566-H569 PolarHBondContact O-N 3.23Å; A567-H569 VanDerWaalsContact C-N 3.3Å; A567-H569 PolarHBondContact O-N 3.34Å; H569-G571 VanDerWaalsContact C-N 3.34Å |
| 570 | L | 80.4 | Confident | 80.9 | Confident | 21 Ų | 21 | 41.9 Ų | 41.9 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.3 | -32.2 | 173.2 | -73.3 | 173.4 | 0 | 0 | 0 | 112.9 | L536 V566 N574 L578 | L536-L570 HydrophobicContact CB-CD2 3.87Å; L536-L570 HydrophobicContact CD2-CD2 3.76Å; L536-L570 HydrophobicContact CD2-CG 3.99Å; L536-L570 HydrophobicContact CG-CD2 4.47Å; V566-L570 HydrophobicContact CG1-CD1 3.93Å; V566-L570 HydrophobicContact CG1-CG 4.22Å; V566-L570 PolarHBondContact O-N 3.02Å; L570-N574 HydrophobicContact CB-CB 4.46Å; L570-N574 HydrophobicContact CD2-CB 4.43Å; L570-N574 PolarHBondContact O-ND2 2.79Å; L570-L578 HydrophobicContact CD1-CB 4.23Å; L570-L578 HydrophobicContact CD1-CD1 4.45Å |
| 571 | G | 74.1 | Confident | 80.9 | Confident | 25 Ų | 25 | 42 Ų | 42 | 26% | 0.258 | 23% | 0.23 | S | C | . | . | trans | 79.8 | -175.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A567 H569 D573 W736 | A567-G571 PolarHBondContact O-N 3.31Å; H569-G571 VanDerWaalsContact C-N 3.34Å; G571-D573 VanDerWaalsContact C-N 3.31Å; G571-W736 VanDerWaalsContact C-CZ3 3.49Å | ||
| 572 | T | 65.1 | Low | 80.8 | Confident | 62 Ų | 62 | 41.7 Ų | 41.7 | 38% | 0.38 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -65.3 | -35.8 | 176.6 | 32.6 | 0 | 0 | 0 | 0 | 112.7 | P735 W736 | T572-P735 HydrophobicContact CG2-CB 3.57Å; T572-W736 HydrophobicContact CG2-CD2 4.2Å; T572-W736 HydrophobicContact CG2-CE3 3.43Å; T572-W736 VanDerWaalsContact CG2-CE3 3.43Å; T572-W736 HydrophobicContact CG2-CZ3 3.71Å |
| 573 | D | 62 | Low | 80.5 | Confident | 135 Ų | 135 | 44.1 Ų | 44.1 | 72% | 0.722 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -6 | -156.4 | -46.4 | -22.1 | 0 | 0 | 0 | 112.9 | G571 | G571-D573 VanDerWaalsContact C-N 3.31Š|
| 574 | N | 75 | Confident | 80.2 | Confident | 102 Ų | 102 | 48.5 Ų | 48.5 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | 24.9 | -175.3 | -58.2 | -62.1 | 0 | 0 | 0 | 113.4 | L570 D576 | L570-N574 HydrophobicContact CB-CB 4.46Å; L570-N574 HydrophobicContact CD2-CB 4.43Å; L570-N574 PolarHBondContact O-ND2 2.79Å; N574-D576 PolarHBondContact O-N 3.27Å |
| 575 | L | 79.7 | Confident | 80 | Confident | 41 Ų | 41 | 48 Ų | 48 | 22% | 0.215 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -13.7 | -173.6 | -163.2 | 64.1 | 0 | 0 | 0 | 113.8 | A567 C577 L578 L579 | A567-L575 HydrophobicContact CB-CD1 4.02Å; L575-C577 VanDerWaalsContact C-N 3.3Å; L575-C577 PolarHBondContact O-N 3.07Å; L575-L578 HydrophobicContact CD1-CB 4.07Å; L575-L578 HydrophobicContact CD1-CD1 4.16Å; L575-L578 HydrophobicContact CD1-CD2 4.28Å; L575-L578 HydrophobicContact CD1-CG 4.42Å; L575-L578 WeakPolarHBondContact O-CA 3.36Å; L575-L578 WeakPolarHBondContact O-CB 3.41Å; L575-L578 PolarHBondContact O-N 3.24Å; L575-L579 HydrophobicContact CG-CG 4.31Å; L575-L579 PolarHBondContact O-N 3.05Å; L575-L579 VanDerWaalsContact O-N 3.11Å |
| 576 | D | 79.6 | Confident | 79.6 | Confident | 107 Ų | 107 | 48.9 Ų | 48.9 | 57% | 0.572 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -52.1 | -42 | -173.5 | -60.6 | -32.1 | 0 | 0 | 0 | 114 | N574 L578 L579 I580 | N574-D576 PolarHBondContact O-N 3.27Å; D576-L578 VanDerWaalsContact C-N 3.26Å; D576-L578 PolarHBondContact O-N 3.05Å; D576-L579 PolarHBondContact O-N 2.96Å; D576-L579 VanDerWaalsContact O-N 3.16Å; D576-I580 VanDerWaalsContact O-CG1 3.29Å; D576-I580 WeakPolarHBondContact O-CG1 3.48Å; D576-I580 PolarHBondContact O-N 3.25Å |
| 577 | C | 79.3 | Confident | 79.1 | Confident | 29 Ų | 29 | 54 Ų | 54 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.7 | -36.1 | 179.3 | -174 | 0 | 0 | 0 | 0 | 112.3 | L575 V581 | L575-C577 VanDerWaalsContact C-N 3.3Å; L575-C577 PolarHBondContact O-N 3.07Å; C577-V581 PolarHBondContact O-N 3.23Å; C577-V581 VanDerWaalsContact O-N 3.14Å |
| 578 | L | 81.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.6 | -38 | 176.5 | -169.1 | 151.6 | 0 | 0 | 0 | 111 | V563 V566 A567 L570 L575 D576 V581 V582 V621 | V563-L578 HydrophobicContact CG1-CD1 4.32Å; V563-L578 HydrophobicContact CG1-CD2 4.38Å; V566-L578 HydrophobicContact CB-CD1 4.43Å; V566-L578 HydrophobicContact CG1-CD1 4.2Å; A567-L578 HydrophobicContact CB-CD1 4.15Å; L570-L578 HydrophobicContact CD1-CB 4.23Å; L570-L578 HydrophobicContact CD1-CD1 4.45Å; L575-L578 HydrophobicContact CD1-CB 4.07Å; L575-L578 HydrophobicContact CD1-CD1 4.16Å; L575-L578 HydrophobicContact CD1-CD2 4.28Å; L575-L578 HydrophobicContact CD1-CG 4.42Å; L575-L578 WeakPolarHBondContact O-CA 3.36Å; L575-L578 WeakPolarHBondContact O-CB 3.41Å; L575-L578 PolarHBondContact O-N 3.24Å; D576-L578 VanDerWaalsContact C-N 3.26Å; D576-L578 PolarHBondContact O-N 3.05Å; L578-V581 PolarHBondContact O-N 3.37Å; L578-V582 HydrophobicContact CD2-CG2 3.94Å; L578-V582 WeakPolarHBondContact O-CB 3.29Å; L578-V582 VanDerWaalsContact O-CG2 3.24Å; L578-V582 WeakPolarHBondContact O-CG2 3.44Å; L578-V582 PolarHBondContact O-N 2.96Å; L578-V621 HydrophobicContact CD2-CG1 4.32Å |
| 579 | L | 81.8 | Confident | 78 | Confident | 89 Ų | 89 | 54.3 Ų | 54.3 | 47% | 0.466 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.2 | -64.6 | 174.1 | 0 | 0 | 0 | 112.2 | L575 D576 V582 S583 | L575-L579 HydrophobicContact CG-CG 4.31Å; L575-L579 PolarHBondContact O-N 3.05Å; L575-L579 VanDerWaalsContact O-N 3.11Å; D576-L579 PolarHBondContact O-N 2.96Å; D576-L579 VanDerWaalsContact O-N 3.16Å; L579-V582 PolarHBondContact O-N 2.76Å; L579-S583 WeakPolarHBondContact O-CB 3.13Å; L579-S583 PolarHBondContact O-N 3.45Å; L579-S583 PolarHBondContact O-OG 3.1Å |
| 580 | I | 82.7 | Confident | 77.3 | Confident | 96 Ų | 96 | 55.4 Ų | 55.4 | 49% | 0.492 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.2 | -49.8 | 174.1 | -68.3 | 163.4 | 0 | 0 | 0 | 109.9 | D576 V582 S583 Q584 | D576-I580 VanDerWaalsContact O-CG1 3.29Å; D576-I580 WeakPolarHBondContact O-CG1 3.48Å; D576-I580 PolarHBondContact O-N 3.25Å; I580-V582 PolarHBondContact O-N 2.93Å; I580-S583 PolarHBondContact O-N 2.86Å; I580-S583 PolarHBondContact O-OG 2.89Å; I580-Q584 WeakPolarHBondContact O-CG 3.49Å; I580-Q584 PolarHBondContact O-N 3.12Å |
| 581 | V | 84.4 | Confident | 76.7 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 178.4 | 153.8 | 0 | 0 | 0 | 0 | 112.8 | C540 K541 V544 L545 C577 L578 S583 Q584 A585 | C540-V581 HydrophobicContact CB-CG2 4.08Å; K541-V581 HydrophobicContact CG-CG2 4.44Å; V544-V581 HydrophobicContact CB-CG1 3.96Å; V544-V581 HydrophobicContact CG1-CG1 3.71Å; L545-V581 HydrophobicContact CB-CG1 3.87Å; L545-V581 HydrophobicContact CB-CG2 4.42Å; C577-V581 PolarHBondContact O-N 3.23Å; C577-V581 VanDerWaalsContact O-N 3.14Å; L578-V581 PolarHBondContact O-N 3.37Å; V581-S583 PolarHBondContact O-N 3.36Å; V581-Q584 PolarHBondContact O-N 3.44Å; V581-A585 PolarHBondContact O-N 3.49Å |
| 582 | V | 84.9 | Confident | 76.1 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.012 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.8 | -37 | 178.4 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | L548 L578 L579 I580 A585 D586 L617 T618 V621 | L548-V582 HydrophobicContact CD1-CG2 3.99Å; L578-V582 HydrophobicContact CD2-CG2 3.94Å; L578-V582 WeakPolarHBondContact O-CB 3.29Å; L578-V582 VanDerWaalsContact O-CG2 3.24Å; L578-V582 WeakPolarHBondContact O-CG2 3.44Å; L578-V582 PolarHBondContact O-N 2.96Å; L579-V582 PolarHBondContact O-N 2.76Å; I580-V582 PolarHBondContact O-N 2.93Å; V582-A585 PolarHBondContact O-N 2.89Å; V582-D586 PolarHBondContact O-N 3Å; V582-L617 HydrophobicContact CG1-CD2 4.31Å; V582-L617 HydrophobicContact CG1-CG 4.27Å; V582-T618 HydrophobicContact CG1-CG2 3.66Å; V582-V621 HydrophobicContact CG1-CB 4.49Å; V582-V621 HydrophobicContact CG1-CG2 4.02Å; V582-V621 HydrophobicContact CG2-CG1 4.43Å; V582-V621 HydrophobicContact CG2-CG2 3.98Å |
| 583 | S | 81 | Confident | 75.6 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 36% | 0.357 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -71.4 | -32 | 174.9 | 59.5 | 0 | 0 | 0 | 0 | 113.1 | L579 I580 V581 N587 | L579-S583 WeakPolarHBondContact O-CB 3.13Å; L579-S583 PolarHBondContact O-N 3.45Å; L579-S583 PolarHBondContact O-OG 3.1Å; I580-S583 PolarHBondContact O-N 2.86Å; I580-S583 PolarHBondContact O-OG 2.89Å; V581-S583 PolarHBondContact O-N 3.36Å; S583-N587 WeakPolarHBondContact O-CB 3.11Å; S583-N587 PolarHBondContact O-N 2.7Å; S583-N587 VanDerWaalsContact O-N 3.11Å; S583-N587 PolarHBondContact O-ND2 2.81Å |
| 584 | Q | 81.7 | Confident | 75.1 | Confident | 92 Ų | 92 | 58 Ų | 58 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 169.1 | -73.2 | 171.4 | -11.6 | 0 | 0 | 111.7 | L545 I580 V581 N587 F588 | L545-Q584 HydrophobicContact CD1-CB 3.88Å; I580-Q584 WeakPolarHBondContact O-CG 3.49Å; I580-Q584 PolarHBondContact O-N 3.12Å; V581-Q584 PolarHBondContact O-N 3.44Å; Q584-N587 PolarHBondContact O-N 2.73Å; Q584-F588 PolarHBondContact O-N 2.74Å |
| 585 | A | 81.5 | Confident | 73.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.2 | -38.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L545 L548 T549 V581 V582 F588 L589 L617 | L545-A585 HydrophobicContact CD1-CB 4Å; L548-A585 HydrophobicContact CB-CB 3.92Å; L548-A585 HydrophobicContact CD1-CB 4.47Å; T549-A585 HydrophobicContact CG2-CB 3.89Å; V581-A585 PolarHBondContact O-N 3.49Å; V582-A585 PolarHBondContact O-N 2.89Å; A585-F588 PolarHBondContact O-N 2.91Å; A585-L589 WeakPolarHBondContact O-CG 3.48Å; A585-L589 PolarHBondContact O-N 3.26Å; A585-L617 HydrophobicContact CB-CD2 3.39Å |
| 586 | D | 79.4 | Confident | 71.8 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 10% | 0.096 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.2 | -50.9 | 171.7 | -117 | -30.6 | 0 | 0 | 0 | 109.5 | V582 F588 L589 L590 L617 T618 | V582-D586 PolarHBondContact O-N 3Å; D586-F588 PolarHBondContact O-N 3.36Å; D586-L589 PolarHBondContact O-N 3.03Å; D586-L590 WeakPolarHBondContact O-CD1 3.19Å; D586-L590 PolarHBondContact O-N 3.3Å; D586-L617 HydrophobicContact CB-CB 4.24Å; D586-L617 WeakPolarHBondContact OD1-CB 3.24Å; D586-L617 PolarHBondContact OD1-N 3.25Å; D586-L617 PolarHBondContact OD2-N 3.03Å; D586-T618 PolarHBondContact OD2-N 3.32Å; D586-T618 VanDerWaalsContact OD2-N 3.12Å; D586-T618 PolarHBondContact OD2-OG1 3.26Å; D586-T618 VanDerWaalsContact OD2-OG1 3.13Å |
| 587 | N | 75.3 | Confident | 69.9 | Low | 110 Ų | 110 | 61.7 Ų | 61.7 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.8 | -39 | 179 | -76.2 | -53.2 | 0 | 0 | 0 | 113.4 | S583 Q584 K591 | S583-N587 WeakPolarHBondContact O-CB 3.11Å; S583-N587 PolarHBondContact O-N 2.7Å; S583-N587 VanDerWaalsContact O-N 3.11Å; S583-N587 PolarHBondContact O-ND2 2.81Å; Q584-N587 PolarHBondContact O-N 2.73Å; N587-K591 PolarHBondContact O-N 3.12Å; N587-K591 VanDerWaalsContact O-N 3.09Å |
| 588 | F | 76.3 | Confident | 67.9 | Low | 98 Ų | 98 | 64.7 Ų | 64.7 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.2 | -47.7 | 175.2 | -177.9 | -85.7 | 0 | 0 | 0 | 111.4 | T549 Q584 A585 D586 L590 K591 T592 | T549-F588 HydrophobicContact CG2-CB 3.79Å; T549-F588 HydrophobicContact CG2-CD1 3.46Å; T549-F588 VanDerWaalsContact CG2-CD1 3.46Å; T549-F588 HydrophobicContact CG2-CE1 4.23Å; T549-F588 HydrophobicContact CG2-CG 3.77Å; Q584-F588 PolarHBondContact O-N 2.74Å; A585-F588 PolarHBondContact O-N 2.91Å; D586-F588 PolarHBondContact O-N 3.36Å; F588-L590 VanDerWaalsContact C-N 3.34Å; F588-L590 PolarHBondContact O-N 3.36Å; F588-K591 PolarHBondContact O-N 3.3Å; F588-K591 VanDerWaalsContact O-N 3.14Å; F588-T592 WeakPolarHBondContact CE1-OG1 3.47Å; F588-T592 WeakPolarHBondContact O-CB 3.26Å; F588-T592 PolarHBondContact O-N 3.13Å; F588-T592 PolarHBondContact O-OG1 2.88Å |
| 589 | L | 70.6 | Confident | 65.7 | Low | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.016 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 178.2 | -69.6 | 173.9 | 0 | 0 | 0 | 111.9 | A585 D586 K591 T592 A593 L617 L658 | A585-L589 WeakPolarHBondContact O-CG 3.48Å; A585-L589 PolarHBondContact O-N 3.26Å; D586-L589 PolarHBondContact O-N 3.03Å; L589-K591 VanDerWaalsContact C-N 3.33Å; L589-K591 PolarHBondContact O-N 2.73Å; L589-T592 PolarHBondContact O-N 2.82Å; L589-A593 VanDerWaalsContact O-CB 3.31Å; L589-A593 WeakPolarHBondContact O-CB 3.43Å; L589-A593 PolarHBondContact O-N 3.43Å; L589-L617 HydrophobicContact CD1-CD1 4.24Å; L589-L617 HydrophobicContact CD1-CD2 4.17Å; L589-L658 HydrophobicContact CD2-CD1 4.42Å; L589-L658 HydrophobicContact CD2-CD2 3.7Å; L589-L658 HydrophobicContact CD2-CG 4.1Å |
| 590 | L | 67.2 | Low | 63.3 | Low | 80 Ų | 80 | 69 Ų | 69 | 42% | 0.419 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 174.3 | -94.9 | 73.4 | 0 | 0 | 0 | 112.2 | D586 F588 | D586-L590 WeakPolarHBondContact O-CD1 3.19Å; D586-L590 PolarHBondContact O-N 3.3Å; F588-L590 VanDerWaalsContact C-N 3.34Å; F588-L590 PolarHBondContact O-N 3.36Å |
| 591 | K | 66.6 | Low | 60.9 | Low | 179 Ų | 179 | 70.2 Ų | 70.2 | 78% | 0.778 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -69.4 | -38.4 | 176.5 | -168.3 | -178.1 | 178.5 | -170.9 | 0 | 112.2 | N587 F588 L589 | N587-K591 PolarHBondContact O-N 3.12Å; N587-K591 VanDerWaalsContact O-N 3.09Å; F588-K591 PolarHBondContact O-N 3.3Å; F588-K591 VanDerWaalsContact O-N 3.14Å; L589-K591 VanDerWaalsContact C-N 3.33Å; L589-K591 PolarHBondContact O-N 2.73Å |
| 592 | T | 61.1 | Low | 58.5 | Low | 67 Ų | 67 | 75.5 Ų | 75.5 | 41% | 0.411 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -79.8 | -28.9 | -176.3 | -56.1 | 0 | 0 | 0 | 0 | 113.3 | F588 L589 G594 | F588-T592 WeakPolarHBondContact CE1-OG1 3.47Å; F588-T592 WeakPolarHBondContact O-CB 3.26Å; F588-T592 PolarHBondContact O-N 3.13Å; F588-T592 PolarHBondContact O-OG1 2.88Å; L589-T592 PolarHBondContact O-N 2.82Å; T592-G594 PolarHBondContact O-N 3.49Å; T592-G594 VanDerWaalsContact O-N 3.15Å |
| 593 | A | 55.9 | Low | 55.8 | Low | 16 Ų | 16 | 83.1 Ų | 83.1 | 13% | 0.132 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -8.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L589 L597 | L589-A593 VanDerWaalsContact O-CB 3.31Å; L589-A593 WeakPolarHBondContact O-CB 3.43Å; L589-A593 PolarHBondContact O-N 3.43Å; A593-L597 HydrophobicContact CB-CD1 3.73Å; A593-L597 HydrophobicContact CB-CG 4Å |
| 594 | G | 51.8 | Low | 53.4 | Low | 37 Ų | 37 | 89 Ų | 89 | 38% | 0.381 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -157.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T592 F596 | T592-G594 PolarHBondContact O-N 3.49Å; T592-G594 VanDerWaalsContact O-N 3.15Å; G594-F596 PolarHBondContact O-N 3.19Å |
| 595 | N | 43.6 | Very low | 50.9 | Low | 123 Ų | 123 | 90.7 Ų | 90.7 | 66% | 0.658 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -68.7 | -2.7 | -177.5 | -73.3 | -26.8 | 0 | 0 | 0 | 114.4 | L597 Q598 Q599 | N595-L597 VanDerWaalsContact C-N 3.34Å; N595-L597 PolarHBondContact O-N 2.98Å; N595-Q598 HydrophobicContact CB-CB 4.16Å; N595-Q598 PolarHBondContact O-N 2.96Å; N595-Q599 PolarHBondContact O-N 3.11Å |
| 596 | F | 40.7 | Very low | 48.6 | Very low | 156 Ų | 156 | 97.6 Ų | 97.6 | 68% | 0.684 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.8 | -31 | 179.8 | -142.1 | -85.5 | 0 | 0 | 0 | 112.7 | G594 | G594-F596 PolarHBondContact O-N 3.19Å |
| 597 | L | 39.9 | Very low | 46.3 | Very low | 47 Ų | 47 | 103 Ų | 103 | 25% | 0.246 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -84.1 | -35.1 | 165.3 | -68.1 | -179.7 | 0 | 0 | 0 | 111.7 | A593 N595 Q599 S600 Y601 | A593-L597 HydrophobicContact CB-CD1 3.73Å; A593-L597 HydrophobicContact CB-CG 4Å; N595-L597 VanDerWaalsContact C-N 3.34Å; N595-L597 PolarHBondContact O-N 2.98Å; L597-Q599 PolarHBondContact O-N 2.86Å; L597-S600 PolarHBondContact O-N 3.05Å; L597-S600 PolarHBondContact O-OG 3.44Å; L597-Y601 PolarHBondContact O-N 3.42Å |
| 598 | Q | 38.1 | Very low | 44.2 | Very low | 93 Ų | 93 | 106.8 Ų | 106.8 | 44% | 0.435 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.3 | -33.7 | 178.4 | -163.3 | 69.2 | 27.5 | 0 | 0 | 113 | N595 S600 Y601 L602 | N595-Q598 HydrophobicContact CB-CB 4.16Å; N595-Q598 PolarHBondContact O-N 2.96Å; Q598-S600 VanDerWaalsContact C-N 3.32Å; Q598-S600 PolarHBondContact O-N 3.22Å; Q598-Y601 CarbonylContact O-C 3.5Å; Q598-Y601 WeakPolarHBondContact O-CB 3.48Å; Q598-Y601 PolarHBondContact O-N 2.94Å; Q598-Y601 VanDerWaalsContact O-N 3.12Å; Q598-L602 HydrophobicContact CG-CD1 4.14Å; Q598-L602 PolarHBondContact O-N 2.84Å |
| 599 | Q | 35.4 | Very low | 41.9 | Very low | 138 Ų | 138 | 109.8 Ų | 109.8 | 65% | 0.645 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64 | -34.2 | 175.1 | -80.6 | -178.6 | -39.2 | 0 | 0 | 112.7 | N595 L597 Y601 L602 E603 | N595-Q599 PolarHBondContact O-N 3.11Å; L597-Q599 PolarHBondContact O-N 2.86Å; Q599-Y601 VanDerWaalsContact C-N 3.35Å; Q599-L602 PolarHBondContact O-N 3.49Å; Q599-E603 PolarHBondContact O-N 3.42Å |
| 600 | S | 31.8 | Very low | 39.9 | Very low | 41 Ų | 41 | 114.1 Ų | 114.1 | 29% | 0.287 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.5 | -29.7 | 171.6 | 68.5 | 0 | 0 | 0 | 0 | 112.9 | L597 Q598 L602 Y614 | L597-S600 PolarHBondContact O-N 3.05Å; L597-S600 PolarHBondContact O-OG 3.44Å; Q598-S600 VanDerWaalsContact C-N 3.32Å; Q598-S600 PolarHBondContact O-N 3.22Å; S600-L602 VanDerWaalsContact C-N 3.32Å; S600-Y614 VanDerWaalsContact C-OH 3.29Å; S600-Y614 PolarHBondContact O-OH 2.83Å; S600-Y614 WeakPolarHBondContact OG-CE1 2.97Å |
| 601 | Y | 32.1 | Very low | 38.1 | Very low | 122 Ų | 122 | 114.6 Ų | 114.6 | 48% | 0.478 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -75.6 | -14.8 | 171.7 | -80.9 | -79.5 | 0 | 0 | 0 | 114.5 | L597 Q598 Q599 Y614 | L597-Y601 PolarHBondContact O-N 3.42Å; Q598-Y601 CarbonylContact O-C 3.5Å; Q598-Y601 WeakPolarHBondContact O-CB 3.48Å; Q598-Y601 PolarHBondContact O-N 2.94Å; Q598-Y601 VanDerWaalsContact O-N 3.12Å; Q599-Y601 VanDerWaalsContact C-N 3.35Å; Y601-Y614 HydrophobicContact CD1-CE2 4.1Å; Y601-Y614 AromaticContact CE1-CD2 3.82Å; Y601-Y614 HydrophobicContact CE1-CD2 3.82Å; Y601-Y614 AromaticContact CE1-CE2 3.74Å; Y601-Y614 HydrophobicContact CE1-CE2 3.74Å; Y601-Y614 HydrophobicContact CE2-CD2 4.34Å; Y601-Y614 HydrophobicContact CE2-CE2 4.4Å; Y601-Y614 HydrophobicContact CE2-CG 4.49Å; Y601-Y614 AromaticContact CZ-CD2 3.66Å; Y601-Y614 AromaticContact CZ-CE2 3.91Å |
| 602 | L | 32.5 | Very low | 36.4 | Very low | 113 Ų | 113 | 110.3 Ų | 110.3 | 59% | 0.592 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -102.2 | -3.7 | -177.5 | -83 | 170.3 | 0 | 0 | 0 | 114.5 | Q598 Q599 S600 K604 | Q598-L602 HydrophobicContact CG-CD1 4.14Å; Q598-L602 PolarHBondContact O-N 2.84Å; Q599-L602 PolarHBondContact O-N 3.49Å; S600-L602 VanDerWaalsContact C-N 3.32Å; L602-K604 VanDerWaalsContact C-N 3.3Å; L602-K604 PolarHBondContact O-N 2.95Å |
| 603 | E | 29.9 | Very low | 35.4 | Very low | 161 Ų | 161 | 115.8 Ų | 115.8 | 75% | 0.752 | 60% | 0.599 | S | S | * | * | trans | -73.8 | 86.1 | 171.2 | -160.1 | 156.3 | -126.2 | 0 | 0 | 109.6 | Q599 D605 | Q599-E603 PolarHBondContact O-N 3.42Å; E603-D605 PolarHBondContact O-N 3.17Å | ||
| 604 | K | 29.4 | Very low | 34.4 | Very low | 174 Ų | 174 | 118.9 Ų | 118.9 | 76% | 0.757 | 61% | 0.608 | S | S | * | * | trans | -70.3 | 69.7 | 176.7 | -72.6 | -172.6 | 175.4 | -175.5 | 0 | 111.9 | L602 D606 | L602-K604 VanDerWaalsContact C-N 3.3Å; L602-K604 PolarHBondContact O-N 2.95Å; K604-D606 PolarHBondContact O-N 3.4Å | ||
| 605 | D | 30 | Very low | 34.3 | Very low | 128 Ų | 128 | 119 Ų | 119 | 68% | 0.684 | 60% | 0.602 | S | S | * | * | trans | -77.5 | 97.2 | 159.9 | -100.1 | -7.5 | 0 | 0 | 0 | 108.8 | E603 N607 | E603-D605 PolarHBondContact O-N 3.17Å; D605-N607 PolarHBondContact O-N 2.91Å | ||
| 606 | D | 32.9 | Very low | 35.3 | Very low | 145 Ų | 145 | 115.5 Ų | 115.5 | 78% | 0.775 | 59% | 0.586 | S | S | * | * | trans | -65.8 | 19.3 | 176.6 | -74.3 | -48.4 | 0 | 0 | 0 | 113.8 | K604 H608 | K604-D606 PolarHBondContact O-N 3.4Å; D606-H608 PolarHBondContact O-N 2.92Å | ||
| 607 | N | 31.5 | Very low | 36.9 | Very low | 132 Ų | 132 | 108 Ų | 108 | 71% | 0.706 | 55% | 0.553 | S | S | * | * | trans | -84.7 | 103.1 | 177.1 | -85.4 | -54.9 | 0 | 0 | 0 | 111.3 | D605 N609 | D605-N607 PolarHBondContact O-N 2.91Å; N607-N609 PolarHBondContact O-N 2.82Å | ||
| 608 | H | 29.9 | Very low | 38.5 | Very low | 190 Ų | 190 | 108.5 Ų | 108.5 | 88% | 0.88 | 56% | 0.558 | S | S | * | * | trans | -60.6 | 64.6 | 172.4 | -66.7 | -71.2 | 0 | 0 | 0 | 114.4 | D606 | D606-H608 PolarHBondContact O-N 2.92Š| ||
| 609 | N | 29 | Very low | 40.1 | Very low | 160 Ų | 160 | 107.2 Ų | 107.2 | 86% | 0.856 | 55% | 0.552 | S | S | * | * | trans | -159.4 | 34.7 | 172.8 | -113.5 | -31.4 | 0 | 0 | 0 | 118.7 | N607 | N607-N609 PolarHBondContact O-N 2.82Š| ||
| 610 | S | 28.1 | Very low | 42.2 | Very low | 95 Ų | 95 | 100.7 Ų | 100.7 | 66% | 0.664 | 52% | 0.521 | S | S | * | . | trans | -154.7 | 148.4 | 145.6 | 91.7 | 0 | 0 | 0 | 0 | 112.6 | T612 | S610-T612 PolarHBondContact O-N 3.33Å; S610-T612 PolarHBondContact OG-OG1 2.8Å | ||
| 611 | S | 29.3 | Very low | 44.5 | Very low | 89 Ų | 89 | 99 Ų | 99 | 62% | 0.622 | 51% | 0.51 | S | S | * | . | trans | -79.7 | 98.1 | 159.4 | 64.9 | 0 | 0 | 0 | 0 | 107.7 | K613 | S611-K613 PolarHBondContact O-N 2.96Å; S611-K613 WeakPolarHBondContact OG-CE 3.49Å | ||
| 612 | T | 31.5 | Very low | 46.7 | Very low | 90 Ų | 90 | 98.7 Ų | 98.7 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | trans | -68.2 | 82.1 | 176.4 | -45.5 | 0 | 0 | 0 | 0 | 109.5 | S610 Y614 | S610-T612 PolarHBondContact O-N 3.33Å; S610-T612 PolarHBondContact OG-OG1 2.8Å; T612-Y614 VanDerWaalsContact C-N 3.32Å; T612-Y614 HydrophobicContact CG2-CE1 4.46Å; T612-Y614 HydrophobicContact CG2-CE2 3.98Å; T612-Y614 WeakPolarHBondContact O-CD2 3.4Å; T612-Y614 PolarHBondContact O-N 3.45Å | ||
| 613 | K | 39.5 | Very low | 48.8 | Very low | 181 Ų | 181 | 97.4 Ų | 97.4 | 79% | 0.787 | 50% | 0.502 | S | S | * | . | trans | -74.4 | 85.9 | -179.7 | -71.1 | 177.6 | -177.3 | 179.7 | 0 | 109.2 | S611 S615 | S611-K613 PolarHBondContact O-N 2.96Å; S611-K613 WeakPolarHBondContact OG-CE 3.49Å; K613-S615 PolarHBondContact O-N 3.15Å | ||
| 614 | Y | 35 | Very low | 51.2 | Low | 82 Ų | 82 | 90.2 Ų | 90.2 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | trans | -49.8 | 132.7 | 167.6 | -71.5 | -74.5 | 0 | 0 | 0 | 110.1 | S600 Y601 T612 T616 | S600-Y614 VanDerWaalsContact C-OH 3.29Å; S600-Y614 PolarHBondContact O-OH 2.83Å; S600-Y614 WeakPolarHBondContact OG-CE1 2.97Å; Y601-Y614 HydrophobicContact CD1-CE2 4.1Å; Y601-Y614 AromaticContact CE1-CD2 3.82Å; Y601-Y614 HydrophobicContact CE1-CD2 3.82Å; Y601-Y614 AromaticContact CE1-CE2 3.74Å; Y601-Y614 HydrophobicContact CE1-CE2 3.74Å; Y601-Y614 HydrophobicContact CE2-CD2 4.34Å; Y601-Y614 HydrophobicContact CE2-CE2 4.4Å; Y601-Y614 HydrophobicContact CE2-CG 4.49Å; Y601-Y614 AromaticContact CZ-CD2 3.66Å; Y601-Y614 AromaticContact CZ-CE2 3.91Å; T612-Y614 VanDerWaalsContact C-N 3.32Å; T612-Y614 HydrophobicContact CG2-CE1 4.46Å; T612-Y614 HydrophobicContact CG2-CE2 3.98Å; T612-Y614 WeakPolarHBondContact O-CD2 3.4Å; T612-Y614 PolarHBondContact O-N 3.45Å; Y614-T616 VanDerWaalsContact C-N 3.33Å; Y614-T616 PolarHBondContact O-N 3.07Å | ||
| 615 | S | 50.9 | Low | 53.5 | Low | 38 Ų | 38 | 84.2 Ų | 84.2 | 27% | 0.266 | 44% | 0.444 | S | S | . | . | trans | -79.9 | 82.2 | -172.8 | 62 | 0 | 0 | 0 | 0 | 110.4 | K613 I653 T657 | K613-S615 PolarHBondContact O-N 3.15Å; S615-I653 VanDerWaalsContact O-CG2 3.25Å; S615-I653 WeakPolarHBondContact O-CG2 3.49Å; S615-T657 WeakPolarHBondContact O-CG2 3.45Å | ||
| 616 | T | 64.7 | Low | 55.7 | Low | 50 Ų | 50 | 83.3 Ų | 83.3 | 31% | 0.307 | 44% | 0.438 | S | S | . | . | trans | -64.4 | 160.1 | -178.8 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | Y614 T618 E619 A620 | Y614-T616 VanDerWaalsContact C-N 3.33Å; Y614-T616 PolarHBondContact O-N 3.07Å; T616-T618 WeakPolarHBondContact CB-OG1 3.21Å; T616-T618 PolarHBondContact O-N 2.88Å; T616-T618 PolarHBondContact OG1-OG1 3.09Å; T616-E619 PolarHBondContact O-N 3.26Å; T616-E619 PolarHBondContact OG1-N 3.46Å; T616-A620 PolarHBondContact O-N 2.95Å | ||
| 617 | L | 72.9 | Confident | 57.7 | Low | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -57.1 | -36.8 | 170.5 | -174.2 | 66.9 | 0 | 0 | 0 | 111.1 | L548 V582 A585 D586 L589 E619 A620 V621 L654 | L548-L617 HydrophobicContact CB-CD2 4.11Å; L548-L617 HydrophobicContact CD1-CD2 4.15Å; L548-L617 HydrophobicContact CD2-CD1 4.34Å; V582-L617 HydrophobicContact CG1-CD2 4.31Å; V582-L617 HydrophobicContact CG1-CG 4.27Å; A585-L617 HydrophobicContact CB-CD2 3.39Å; D586-L617 HydrophobicContact CB-CB 4.24Å; D586-L617 WeakPolarHBondContact OD1-CB 3.24Å; D586-L617 PolarHBondContact OD1-N 3.25Å; D586-L617 PolarHBondContact OD2-N 3.03Å; L589-L617 HydrophobicContact CD1-CD1 4.24Å; L589-L617 HydrophobicContact CD1-CD2 4.17Å; L617-E619 VanDerWaalsContact C-N 3.32Å; L617-E619 PolarHBondContact O-N 2.77Å; L617-A620 WeakPolarHBondContact O-CB 3.41Å; L617-A620 PolarHBondContact O-N 3.16Å; L617-A620 VanDerWaalsContact O-N 3.14Å; L617-V621 PolarHBondContact O-N 3.48Å; L617-L654 HydrophobicContact CD1-CD2 3.47Å; L617-L654 VanDerWaalsContact CD1-CD2 3.47Å |
| 618 | T | 73.5 | Confident | 59.2 | Low | 57 Ų | 57 | 77.4 Ų | 77.4 | 35% | 0.35 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -55.1 | -39 | 171.1 | 38 | 0 | 0 | 0 | 0 | 113.5 | V582 D586 T616 Q622 | V582-T618 HydrophobicContact CG1-CG2 3.66Å; D586-T618 PolarHBondContact OD2-N 3.32Å; D586-T618 VanDerWaalsContact OD2-N 3.12Å; D586-T618 PolarHBondContact OD2-OG1 3.26Å; D586-T618 VanDerWaalsContact OD2-OG1 3.13Å; T616-T618 WeakPolarHBondContact CB-OG1 3.21Å; T616-T618 PolarHBondContact O-N 2.88Å; T616-T618 PolarHBondContact OG1-OG1 3.09Å; T618-Q622 VanDerWaalsContact O-CB 3.27Å; T618-Q622 WeakPolarHBondContact O-CB 3.45Å; T618-Q622 PolarHBondContact O-N 2.99Å |
| 619 | E | 73.4 | Confident | 61.4 | Low | 66 Ų | 66 | 72.4 Ų | 72.4 | 31% | 0.308 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.8 | -35.4 | 175.5 | -155.9 | -154.7 | -164 | 0 | 0 | 112.1 | T616 L617 Q622 K623 I653 | T616-E619 PolarHBondContact O-N 3.26Å; T616-E619 PolarHBondContact OG1-N 3.46Å; L617-E619 VanDerWaalsContact C-N 3.32Å; L617-E619 PolarHBondContact O-N 2.77Å; E619-Q622 PolarHBondContact O-N 3.24Å; E619-K623 HydrophobicContact CG-CD 4.38Å; E619-K623 WeakPolarHBondContact O-CB 3.29Å; E619-K623 WeakPolarHBondContact O-CG 3.45Å; E619-K623 PolarHBondContact O-N 2.99Å; E619-K623 WeakPolarHBondContact OE1-CE 3.5Å; E619-K623 IonicContact OE1-NZ 3.38Å; E619-K623 PolarHBondContact OE1-NZ 2.8Å; E619-K623 IonicContact OE2-NZ 3.38Å; E619-K623 PolarHBondContact OE2-NZ 3.46Å; E619-I653 HydrophobicContact CB-CD1 4.22Å; E619-I653 HydrophobicContact CG-CD1 4.31Å; E619-I653 WeakPolarHBondContact OE2-CD1 3.14Å |
| 620 | A | 77.9 | Confident | 64 | Low | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.8 | -47.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T616 L617 K623 R624 I653 L654 | T616-A620 PolarHBondContact O-N 2.95Å; L617-A620 WeakPolarHBondContact O-CB 3.41Å; L617-A620 PolarHBondContact O-N 3.16Å; L617-A620 VanDerWaalsContact O-N 3.14Å; A620-K623 PolarHBondContact O-N 3.35Å; A620-R624 PolarHBondContact O-N 3.24Å; A620-I653 HydrophobicContact CB-CB 3.99Å; A620-I653 HydrophobicContact CB-CD1 4.2Å; A620-I653 HydrophobicContact CB-CG2 4Å; A620-L654 HydrophobicContact CB-CD2 4.4Å; A620-L654 HydrophobicContact CB-CG 4.41Å |
| 621 | V | 80.8 | Confident | 66.7 | Low | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 174.3 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | L560 V563 L578 V582 L617 K623 R624 L625 | L560-V621 HydrophobicContact CD2-CG2 3.78Å; V563-V621 HydrophobicContact CG1-CG1 3.92Å; V563-V621 HydrophobicContact CG1-CG2 4.49Å; L578-V621 HydrophobicContact CD2-CG1 4.32Å; V582-V621 HydrophobicContact CG1-CB 4.49Å; V582-V621 HydrophobicContact CG1-CG2 4.02Å; V582-V621 HydrophobicContact CG2-CG1 4.43Å; V582-V621 HydrophobicContact CG2-CG2 3.98Å; L617-V621 PolarHBondContact O-N 3.48Å; V621-K623 PolarHBondContact O-N 3.02Å; V621-R624 WeakPolarHBondContact O-CB 3.21Å; V621-R624 PolarHBondContact O-N 2.89Å; V621-R624 VanDerWaalsContact O-N 3.09Å; V621-L625 HydrophobicContact CG1-CD1 3.82Å; V621-L625 HydrophobicContact CG1-CG 4.3Å; V621-L625 WeakPolarHBondContact O-CG 3.49Å; V621-L625 PolarHBondContact O-N 3.08Å |
| 622 | Q | 78 | Confident | 69.1 | Low | 114 Ų | 114 | 65.2 Ų | 65.2 | 53% | 0.533 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 179 | -167.9 | -173.7 | 22.7 | 0 | 0 | 111.6 | T618 E619 R624 L625 I626 | T618-Q622 VanDerWaalsContact O-CB 3.27Å; T618-Q622 WeakPolarHBondContact O-CB 3.45Å; T618-Q622 PolarHBondContact O-N 2.99Å; E619-Q622 PolarHBondContact O-N 3.24Å; Q622-R624 VanDerWaalsContact C-N 3.31Å; Q622-R624 PolarHBondContact O-N 3.48Å; Q622-L625 PolarHBondContact O-N 3.19Å; Q622-I626 HydrophobicContact CG-CD1 3.84Å; Q622-I626 HydrophobicContact CG-CG1 4.46Å; Q622-I626 WeakPolarHBondContact O-CB 3.21Å; Q622-I626 VanDerWaalsContact O-CG1 3.27Å; Q622-I626 WeakPolarHBondContact O-CG1 3.45Å; Q622-I626 PolarHBondContact O-N 3.12Å |
| 623 | K | 77.2 | Confident | 71.7 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 37% | 0.374 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -33.1 | 176.2 | -75.4 | 171 | -176.9 | 166.5 | 0 | 112.7 | E619 A620 V621 P649 I653 | E619-K623 HydrophobicContact CG-CD 4.38Å; E619-K623 WeakPolarHBondContact O-CB 3.29Å; E619-K623 WeakPolarHBondContact O-CG 3.45Å; E619-K623 PolarHBondContact O-N 2.99Å; E619-K623 WeakPolarHBondContact OE1-CE 3.5Å; E619-K623 IonicContact OE1-NZ 3.38Å; E619-K623 PolarHBondContact OE1-NZ 2.8Å; E619-K623 IonicContact OE2-NZ 3.38Å; E619-K623 PolarHBondContact OE2-NZ 3.46Å; A620-K623 PolarHBondContact O-N 3.35Å; V621-K623 PolarHBondContact O-N 3.02Å; K623-P649 WeakPolarHBondContact O-CB 3.41Å; K623-I653 HydrophobicContact CD-CD1 3.7Å |
| 624 | R | 80 | Confident | 73.8 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.8 | -40.1 | 175.1 | -173.4 | 69.1 | -169.5 | 78.2 | -4.7 | 112.5 | L560 D561 A564 A620 V621 Q622 Q629 P649 | L560-R624 HydrophobicContact CB-CG 4.1Å; L560-R624 HydrophobicContact CD2-CB 4.36Å; L560-R624 WeakPolarHBondContact O-CG 3.47Å; D561-R624 IonicContact OD1-CZ 2.71Å; D561-R624 IonicContact OD1-NE 3.28Å; D561-R624 PolarHBondContact OD1-NE 3.29Å; D561-R624 VanDerWaalsContact OD1-NE 3.13Å; D561-R624 IonicContact OD1-NH2 3.47Å; D561-R624 PolarHBondContact OD1-NH2 3.42Å; A564-R624 HydrophobicContact CB-CG 4.37Å; A620-R624 PolarHBondContact O-N 3.24Å; V621-R624 WeakPolarHBondContact O-CB 3.21Å; V621-R624 PolarHBondContact O-N 2.89Å; V621-R624 VanDerWaalsContact O-N 3.09Å; Q622-R624 VanDerWaalsContact C-N 3.31Å; Q622-R624 PolarHBondContact O-N 3.48Å; R624-Q629 PolarHBondContact NH1-O 3Å; R624-Q629 PolarHBondContact NH2-O 3.46Å; R624-Q629 VanDerWaalsContact NH2-O 3.13Å; R624-P649 WeakPolarHBondContact CD-O 3.32Å |
| 625 | L | 77.9 | Confident | 76 | Confident | 47 Ų | 47 | 58.6 Ų | 58.6 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -72.9 | -44 | 179.3 | -67.3 | 175.6 | 0 | 0 | 0 | 112.4 | V563 A567 V621 Q622 K627 C628 | V563-L625 HydrophobicContact CG1-CD2 4.41Å; A567-L625 HydrophobicContact CB-CD2 3.56Å; V621-L625 HydrophobicContact CG1-CD1 3.82Å; V621-L625 HydrophobicContact CG1-CG 4.3Å; V621-L625 WeakPolarHBondContact O-CG 3.49Å; V621-L625 PolarHBondContact O-N 3.08Å; Q622-L625 PolarHBondContact O-N 3.19Å; L625-K627 PolarHBondContact O-N 2.88Å; L625-C628 PolarHBondContact O-N 3.33Å |
| 626 | I | 76.8 | Confident | 77.5 | Confident | 109 Ų | 109 | 60.2 Ų | 60.2 | 56% | 0.559 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -54.1 | -28 | -179.7 | -77.2 | 169.1 | 0 | 0 | 0 | 113.4 | Q622 C628 | Q622-I626 HydrophobicContact CG-CD1 3.84Å; Q622-I626 HydrophobicContact CG-CG1 4.46Å; Q622-I626 WeakPolarHBondContact O-CB 3.21Å; Q622-I626 VanDerWaalsContact O-CG1 3.27Å; Q622-I626 WeakPolarHBondContact O-CG1 3.45Å; Q622-I626 PolarHBondContact O-N 3.12Å; I626-C628 PolarHBondContact O-N 3.29Å |
| 627 | K | 74.1 | Confident | 78.4 | Confident | 100 Ų | 100 | 59.3 Ų | 59.3 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -14.7 | 177.9 | -165.3 | 172.7 | 179.4 | -158.2 | 0 | 113.4 | L625 Q629 P649 | L625-K627 PolarHBondContact O-N 2.88Å; K627-Q629 HydrophobicContact CD-CB 4.42Å; K627-Q629 HydrophobicContact CG-CB 4.05Å; K627-Q629 PolarHBondContact O-N 3.01Å; K627-P649 HydrophobicContact CB-CG 4.16Å; K627-P649 HydrophobicContact CD-CG 3.3Å; K627-P649 HydrophobicContact CG-CG 4.36Å |
| 628 | C | 62.3 | Low | 79 | Confident | 54 Ų | 54 | 61 Ų | 61 | 37% | 0.365 | 32% | 0.315 | S | S | . | . | trans | 50 | 29.9 | -178.8 | -62.7 | 0 | 0 | 0 | 0 | 113.8 | L625 I626 | L625-C628 PolarHBondContact O-N 3.33Å; I626-C628 PolarHBondContact O-N 3.29Å | ||
| 629 | Q | 77 | Confident | 79.5 | Confident | 84 Ų | 84 | 59 Ų | 59 | 39% | 0.393 | 30% | 0.303 | S | S | . | . | trans | -114.3 | 107 | -175.6 | -174.6 | -174.1 | -1 | 0 | 0 | 110.4 | R624 K627 | R624-Q629 PolarHBondContact NH1-O 3Å; R624-Q629 PolarHBondContact NH2-O 3.46Å; R624-Q629 VanDerWaalsContact NH2-O 3.13Å; K627-Q629 HydrophobicContact CD-CB 4.42Å; K627-Q629 HydrophobicContact CG-CB 4.05Å; K627-Q629 PolarHBondContact O-N 3.01Å | ||
| 630 | L | 83.6 | Confident | 79.7 | Confident | 55 Ų | 55 | 60.4 Ų | 60.4 | 29% | 0.288 | 31% | 0.312 | S | S | . | . | trans | -64.3 | 149.3 | 168.3 | -69.6 | 77.3 | 0 | 0 | 0 | 110.3 | L527 H568 | L527-L630 HydrophobicContact CD2-CD2 3.99Å; H568-L630 HydrophobicContact CB-CD2 4.31Å | ||
| 631 | P | 83.5 | Confident | 79.5 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 12% | 0.117 | 32% | 0.32 | C | S | . | . | trans | -59.7 | 156.8 | 170.9 | 26 | -33.5 | 0 | 0 | 0 | 111.7 | T523 L527 D561 V565 V639 | T523-P631 HydrophobicContact CG2-CG 3.82Å; L527-P631 HydrophobicContact CD1-CG 4.14Å; D561-P631 HydrophobicContact CB-CB 4.15Å; D561-P631 HydrophobicContact CB-CG 4.09Å; V565-P631 HydrophobicContact CG2-CG 3.64Å; P631-V639 HydrophobicContact CB-CG1 3.94Å | ||
| 632 | Q | 80.9 | Confident | 78.4 | Confident | 121 Ų | 121 | 65.8 Ų | 65.8 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | trans | -104.8 | 137.5 | 177.6 | -67.8 | -176.5 | -1.6 | 0 | 0 | 110 | I640 | Q632-I640 HydrophobicContact CB-CD1 4.45Å; Q632-I640 PolarHBondContact O-N 3.14Å | ||
| 633 | L | 85.8 | Confident | 77.3 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -92.6 | 151.1 | 172.1 | -58.1 | -175.2 | 0 | 0 | 0 | 111.3 | S524 L527 T528 R638 V639 | S524-L633 WeakPolarHBondContact OG-CD2 3.46Å; L527-L633 HydrophobicContact CB-CD1 3.98Å; L527-L633 HydrophobicContact CD1-CD1 4.27Å; L527-L633 HydrophobicContact CD1-CD2 4.09Å; L527-L633 HydrophobicContact CD1-CG 4.05Å; T528-L633 HydrophobicContact CG2-CD1 3.91Å; L633-R638 CarbonylContact C-O 3.48Å; L633-R638 WeakPolarHBondContact CA-O 3.45Å; L633-V639 HydrophobicContact CD2-CG2 3.92Å |
| 634 | D | 82.9 | Confident | 76 | Confident | 56 Ų | 56 | 67.2 Ų | 67.2 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | trans | -85.8 | -171.7 | 171 | 89.9 | -36.3 | 0 | 0 | 0 | 112.5 | H636 S637 R638 I640 | D634-H636 PolarHBondContact O-N 2.97Å; D634-H636 VanDerWaalsContact O-N 3.16Å; D634-H636 WeakPolarHBondContact OD1-CA 3.17Å; D634-H636 WeakPolarHBondContact OD1-CB 3.36Å; D634-H636 PolarHBondContact OD1-N 3.38Å; D634-H636 IonicContact OD2-CE1 2.62Å; D634-H636 IonicContact OD2-CG 3.18Å; D634-H636 IonicContact OD2-ND1 3.96Å; D634-H636 PolarHBondContact OD2-ND1 3.42Å; D634-S637 PolarHBondContact O-N 3.25Å; D634-S637 PolarHBondContact OD1-N 2.81Å; D634-R638 PolarHBondContact N-O 2.69Å; D634-R638 PolarHBondContact OD1-N 3.31Å; D634-I640 HydrophobicContact CB-CD1 3.97Å; D634-I640 HydrophobicContact CB-CG1 3.87Å | ||
| 635 | S | 81.6 | Confident | 74.8 | Confident | 109 Ų | 109 | 71.4 Ų | 71.4 | 76% | 0.762 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -1.1 | 176.7 | 54 | 0 | 0 | 0 | 0 | 114.9 | ||
| 636 | H | 82.5 | Confident | 73.5 | Confident | 72 Ų | 72 | 74.9 Ų | 74.9 | 33% | 0.333 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 12.7 | 178.6 | -50 | 105.3 | 0 | 0 | 0 | 112.2 | V456 D634 R638 | V456-H636 HydrophobicContact CG1-CB 4.05Å; D634-H636 PolarHBondContact O-N 2.97Å; D634-H636 VanDerWaalsContact O-N 3.16Å; D634-H636 WeakPolarHBondContact OD1-CA 3.17Å; D634-H636 WeakPolarHBondContact OD1-CB 3.36Å; D634-H636 PolarHBondContact OD1-N 3.38Å; D634-H636 IonicContact OD2-CE1 2.62Å; D634-H636 IonicContact OD2-CG 3.18Å; D634-H636 IonicContact OD2-ND1 3.96Å; D634-H636 PolarHBondContact OD2-ND1 3.42Å; H636-R638 VanDerWaalsContact C-N 3.35Å |
| 637 | S | 82.9 | Confident | 72.6 | Confident | 32 Ų | 32 | 74 Ų | 74 | 22% | 0.224 | 39% | 0.387 | C | S | . | . | S | Bend | trans | 58.3 | 41.3 | -174.2 | -55.4 | 0 | 0 | 0 | 0 | 113.1 | S524 D634 | S524-S637 WeakPolarHBondContact CB-O 3.41Å; S524-S637 PolarHBondContact OG-O 3.39Å; D634-S637 PolarHBondContact O-N 3.25Å; D634-S637 PolarHBondContact OD1-N 2.81Å |
| 638 | R | 86.4 | Confident | 71.8 | Confident | 34 Ų | 34 | 70.3 Ų | 70.3 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | trans | -116.2 | 146.6 | 173.1 | -63.1 | -166.8 | 68.9 | -119.5 | -13.6 | 112.3 | L452 T459 E517 L633 D634 H636 I640 | L452-R638 VanDerWaalsContact CD1-NH1 3.31Å; T459-R638 HydrophobicContact CG2-CG 3.97Å; T459-R638 WeakPolarHBondContact OG1-CD 3.45Å; E517-R638 IonicContact OE1-CZ 2.63Å; E517-R638 IonicContact OE1-NH2 3.13Å; E517-R638 PolarHBondContact OE1-NH2 2.93Å; E517-R638 IonicContact OE2-CZ 3.04Å; E517-R638 IonicContact OE2-NE 3.06Å; E517-R638 IonicContact OE2-NH2 2.75Å; E517-R638 PolarHBondContact OE2-NH2 3.5Å; L633-R638 CarbonylContact C-O 3.48Å; L633-R638 WeakPolarHBondContact CA-O 3.45Å; D634-R638 PolarHBondContact N-O 2.69Å; D634-R638 PolarHBondContact OD1-N 3.31Å; H636-R638 VanDerWaalsContact C-N 3.35Å; R638-I640 PolarHBondContact O-N 2.89Å | ||
| 639 | V | 84.4 | Confident | 71.5 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | B | Isolated β-bridge | trans | -68.4 | 122.8 | -174.4 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | D520 T523 P631 L633 R641 | D520-V639 HydrophobicContact CB-CG2 4.47Å; T523-V639 HydrophobicContact CG2-CG2 3.81Å; P631-V639 HydrophobicContact CB-CG1 3.94Å; L633-V639 HydrophobicContact CD2-CG2 3.92Å; V639-R641 HydrophobicContact CG1-CG 4.18Å; V639-R641 PolarHBondContact O-N 3.43Å |
| 640 | I | 77.5 | Confident | 70.5 | Confident | 94 Ų | 94 | 65.6 Ų | 65.6 | 48% | 0.482 | 35% | 0.349 | S | S | . | . | trans | -83.5 | 100.3 | 177.3 | -55.8 | 174 | 0 | 0 | 0 | 109.9 | Q632 D634 R638 | Q632-I640 HydrophobicContact CB-CD1 4.45Å; Q632-I640 PolarHBondContact O-N 3.14Å; D634-I640 HydrophobicContact CB-CD1 3.97Å; D634-I640 HydrophobicContact CB-CG1 3.87Å; R638-I640 PolarHBondContact O-N 2.89Å | ||
| 641 | R | 72.9 | Confident | 69.4 | Low | 49 Ų | 49 | 63.1 Ų | 63.1 | 19% | 0.185 | 34% | 0.337 | C | S | . | . | trans | -101.1 | 147.6 | 163.6 | -58.3 | -164.4 | -173.6 | 86.2 | 16.3 | 111.2 | D520 A558 D561 V639 | D520-R641 IonicContact OD1-CZ 2.64Å; D520-R641 IonicContact OD1-NH1 2.69Å; D520-R641 PolarHBondContact OD1-NH1 3.22Å; D520-R641 IonicContact OD1-NH2 3.96Å; D520-R641 PolarHBondContact OD1-NH2 3.16Å; D520-R641 IonicContact OD2-NH1 3.55Å; D520-R641 PolarHBondContact OD2-NH1 3.35Å; A558-R641 VanDerWaalsContact CA-NH2 3.34Å; D561-R641 IonicContact OD2-CZ 3.27Å; D561-R641 IonicContact OD2-NE 2.7Å; D561-R641 PolarHBondContact OD2-NE 2.77Å; D561-R641 IonicContact OD2-NH2 3.42Å; D561-R641 PolarHBondContact OD2-NH2 2.9Å; V639-R641 HydrophobicContact CG1-CG 4.18Å; V639-R641 PolarHBondContact O-N 3.43Å | ||
| 642 | T | 58 | Low | 68.1 | Low | 72 Ų | 72 | 71.1 Ų | 71.1 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | trans | -93.6 | 135.5 | 170 | 58.6 | 0 | 0 | 0 | 0 | 109.9 | N644 N647 | T642-N644 CarbonylContact O-C 3.52Å; T642-N644 PolarHBondContact O-N 3.39Å; T642-N644 PolarHBondContact OG1-O 3.46Å; T642-N647 PolarHBondContact OG1-ND2 2.93Å | ||
| 643 | N | 54.5 | Low | 67 | Low | 143 Ų | 143 | 65.8 Ų | 65.8 | 77% | 0.765 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -53 | -19.3 | 175.2 | -55.4 | 36.2 | 0 | 0 | 0 | 113.9 | Y645 | N643-Y645 WeakPolarHBondContact O-CD2 3.43Å; N643-Y645 WeakPolarHBondContact O-CE2 3.4Å; N643-Y645 PolarHBondContact O-N 3.47Å |
| 644 | N | 51.5 | Low | 65.9 | Low | 87 Ų | 87 | 63.5 Ų | 63.5 | 47% | 0.465 | 33% | 0.328 | S | S | . | . | trans | -81.5 | 82.7 | 166.1 | -166.9 | 0.1 | 0 | 0 | 0 | 109.8 | T642 N646 N647 | T642-N644 CarbonylContact O-C 3.52Å; T642-N644 PolarHBondContact O-N 3.39Å; T642-N644 PolarHBondContact OG1-O 3.46Å; N644-N646 PolarHBondContact O-N 3.16Å; N644-N646 VanDerWaalsContact O-N 3.09Å; N644-N646 WeakPolarHBondContact OD1-CB 3.26Å; N644-N646 PolarHBondContact OD1-ND2 2.94Å; N644-N647 PolarHBondContact O-N 2.93Å; N644-N647 VanDerWaalsContact O-N 3.16Å; N644-N647 PolarHBondContact O-ND2 3.29Å | ||
| 645 | Y | 53.4 | Low | 64.7 | Low | 99 Ų | 99 | 64.1 Ų | 64.1 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -58.3 | -21.6 | -176.5 | -57 | -77.8 | 0 | 0 | 0 | 113.8 | L554 I557 N643 N647 V648 | L554-Y645 HydrophobicContact CD2-CD1 4.49Å; L554-Y645 HydrophobicContact CD2-CE1 3.58Å; L554-Y645 WeakPolarHBondContact CD2-OH 3.37Å; I557-Y645 HydrophobicContact CD1-CD1 4.38Å; N643-Y645 WeakPolarHBondContact O-CD2 3.43Å; N643-Y645 WeakPolarHBondContact O-CE2 3.4Å; N643-Y645 PolarHBondContact O-N 3.47Å; Y645-N647 PolarHBondContact O-N 3.42Å; Y645-V648 PolarHBondContact O-N 2.83Å |
| 646 | N | 51.7 | Low | 63.5 | Low | 120 Ų | 120 | 62.7 Ų | 62.7 | 64% | 0.642 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -55.5 | -13.6 | 173 | -58.3 | -60.3 | 0 | 0 | 0 | 114.3 | N644 | N644-N646 PolarHBondContact O-N 3.16Å; N644-N646 VanDerWaalsContact O-N 3.09Å; N644-N646 WeakPolarHBondContact OD1-CB 3.26Å; N644-N646 PolarHBondContact OD1-ND2 2.94Å |
| 647 | N | 56.8 | Low | 62.3 | Low | 91 Ų | 91 | 60 Ų | 60 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -78.5 | -16.7 | 174.4 | -70.9 | -39.1 | 0 | 0 | 0 | 114.6 | T642 N644 Y645 | T642-N647 PolarHBondContact OG1-ND2 2.93Å; N644-N647 PolarHBondContact O-N 2.93Å; N644-N647 VanDerWaalsContact O-N 3.16Å; N644-N647 PolarHBondContact O-ND2 3.29Å; Y645-N647 PolarHBondContact O-N 3.42Å |
| 648 | V | 58 | Low | 60.6 | Low | 22 Ų | 22 | 59.4 Ų | 59.4 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -88.7 | 116.9 | 179.8 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | I557 Y645 A651 | I557-V648 HydrophobicContact CG2-CG1 4.34Å; I557-V648 HydrophobicContact CG2-CG2 4.28Å; Y645-V648 PolarHBondContact O-N 2.83Å; V648-A651 HydrophobicContact CB-CB 3.9Å; V648-A651 HydrophobicContact CG1-CB 4.19Å; V648-A651 VanDerWaalsContact O-CB 3.28Å; V648-A651 WeakPolarHBondContact O-CB 3.42Å; V648-A651 PolarHBondContact O-N 3.43Å |
| 649 | P | 55.4 | Low | 58.5 | Low | 30 Ų | 30 | 59.6 Ų | 59.6 | 20% | 0.195 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 140.6 | 178 | -13.3 | 26.6 | 0 | 0 | 0 | 110.7 | K623 R624 K627 A651 | K623-P649 WeakPolarHBondContact O-CB 3.41Å; R624-P649 WeakPolarHBondContact CD-O 3.32Å; K627-P649 HydrophobicContact CB-CG 4.16Å; K627-P649 HydrophobicContact CD-CG 3.3Å; K627-P649 HydrophobicContact CG-CG 4.36Å; P649-A651 PolarHBondContact O-N 3.23Å |
| 650 | G | 56.5 | Low | 56.2 | Low | 8 Ų | 8 | 65 Ų | 65 | 8% | 0.082 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -23.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | W652 I653 L654 | G650-W652 VanDerWaalsContact C-N 3.28Å; G650-W652 PolarHBondContact O-N 3.29Å; G650-I653 WeakPolarHBondContact O-CB 3.14Å; G650-I653 PolarHBondContact O-N 2.84Å; G650-L654 PolarHBondContact O-N 3.01Å |
| 651 | A | 59.6 | Low | 53.7 | Low | 4 Ų | 4 | 65.4 Ų | 65.4 | 3% | 0.033 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.6 | -33.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I557 V648 P649 I653 L654 V655 | I557-A651 HydrophobicContact CD1-CB 3.86Å; I557-A651 HydrophobicContact CG1-CB 3.83Å; V648-A651 HydrophobicContact CB-CB 3.9Å; V648-A651 HydrophobicContact CG1-CB 4.19Å; V648-A651 VanDerWaalsContact O-CB 3.28Å; V648-A651 WeakPolarHBondContact O-CB 3.42Å; V648-A651 PolarHBondContact O-N 3.43Å; P649-A651 PolarHBondContact O-N 3.23Å; A651-I653 PolarHBondContact O-N 3.01Å; A651-L654 PolarHBondContact O-N 3.28Å; A651-V655 PolarHBondContact O-N 3.3Å |
| 652 | W | 56.2 | Low | 51.4 | Low | 185 Ų | 185 | 67.8 Ų | 67.8 | 70% | 0.701 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -68.6 | -21.6 | 176.9 | -158.3 | 74.7 | 0 | 0 | 0 | 113.4 | G650 | G650-W652 VanDerWaalsContact C-N 3.28Å; G650-W652 PolarHBondContact O-N 3.29Å |
| 653 | I | 59.5 | Low | 49.7 | Very low | 9 Ų | 9 | 71.4 Ų | 71.4 | 5% | 0.046 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -77.5 | -40.2 | 172.8 | -65.9 | 157.6 | 0 | 0 | 0 | 110.3 | S615 E619 A620 K623 G650 A651 V655 N656 T657 | S615-I653 VanDerWaalsContact O-CG2 3.25Å; S615-I653 WeakPolarHBondContact O-CG2 3.49Å; E619-I653 HydrophobicContact CB-CD1 4.22Å; E619-I653 HydrophobicContact CG-CD1 4.31Å; E619-I653 WeakPolarHBondContact OE2-CD1 3.14Å; A620-I653 HydrophobicContact CB-CB 3.99Å; A620-I653 HydrophobicContact CB-CD1 4.2Å; A620-I653 HydrophobicContact CB-CG2 4Å; K623-I653 HydrophobicContact CD-CD1 3.7Å; G650-I653 WeakPolarHBondContact O-CB 3.14Å; G650-I653 PolarHBondContact O-N 2.84Å; A651-I653 PolarHBondContact O-N 3.01Å; I653-V655 PolarHBondContact O-N 2.99Å; I653-V655 VanDerWaalsContact O-N 3.15Å; I653-N656 PolarHBondContact O-N 2.69Å; I653-T657 HydrophobicContact CG2-CG2 4.19Å; I653-T657 PolarHBondContact O-N 2.81Å |
| 654 | L | 61.7 | Low | 48.3 | Very low | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.4 | -22.1 | 178 | -67.1 | 178.3 | 0 | 0 | 0 | 113.7 | L553 R556 I557 L560 L617 A620 G650 A651 N656 T657 | L553-L654 HydrophobicContact CD1-CB 3.43Å; L553-L654 VanDerWaalsContact CD1-CB 3.43Å; R556-L654 HydrophobicContact CB-CD1 3.88Å; R556-L654 HydrophobicContact CB-CD2 4.42Å; R556-L654 PolarHBondContact NH1-O 2.89Å; R556-L654 PolarHBondContact NH2-O 2.73Å; I557-L654 HydrophobicContact CG1-CD1 4.06Å; L560-L654 HydrophobicContact CD1-CD1 3.49Å; L560-L654 VanDerWaalsContact CD1-CD1 3.49Å; L560-L654 HydrophobicContact CD1-CG 4.24Å; L560-L654 HydrophobicContact CG-CD1 3.97Å; L617-L654 HydrophobicContact CD1-CD2 3.47Å; L617-L654 VanDerWaalsContact CD1-CD2 3.47Å; A620-L654 HydrophobicContact CB-CD2 4.4Å; A620-L654 HydrophobicContact CB-CG 4.41Å; G650-L654 PolarHBondContact O-N 3.01Å; A651-L654 PolarHBondContact O-N 3.28Å; L654-N656 VanDerWaalsContact C-N 3.34Å; L654-T657 PolarHBondContact O-OG1 2.91Å |
| 655 | V | 58.3 | Low | 46.9 | Very low | 70 Ų | 70 | 74.2 Ų | 74.2 | 42% | 0.424 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 170.6 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | L553 A651 I653 | L553-V655 HydrophobicContact CD2-CG2 3.81Å; A651-V655 PolarHBondContact O-N 3.3Å; I653-V655 PolarHBondContact O-N 2.99Å; I653-V655 VanDerWaalsContact O-N 3.15Å |
| 656 | N | 55.8 | Low | 45.4 | Very low | 79 Ų | 79 | 74.8 Ų | 74.8 | 42% | 0.422 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -83.2 | -24.5 | -170.9 | -61.9 | -4.8 | 0 | 0 | 0 | 113.1 | I653 L654 L658 G659 | I653-N656 PolarHBondContact O-N 2.69Å; L654-N656 VanDerWaalsContact C-N 3.34Å; N656-L658 PolarHBondContact O-N 3.44Å; N656-L658 VanDerWaalsContact O-N 3.12Å; N656-G659 PolarHBondContact O-N 3.31Å |
| 657 | T | 56.5 | Low | 44 | Very low | 14 Ų | 14 | 76 Ų | 76 | 9% | 0.086 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -1.4 | -170.7 | 50.5 | 0 | 0 | 0 | 0 | 116.6 | R556 S615 I653 L654 | R556-T657 PolarHBondContact NH1-OG1 2.91Å; S615-T657 WeakPolarHBondContact O-CG2 3.45Å; I653-T657 HydrophobicContact CG2-CG2 4.19Å; I653-T657 PolarHBondContact O-N 2.81Å; L654-T657 PolarHBondContact O-OG1 2.91Å |
| 658 | L | 49 | Very low | 42.4 | Very low | 20 Ų | 20 | 76 Ų | 76 | 11% | 0.105 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 0.7 | 174.1 | -80.3 | -177.5 | 0 | 0 | 0 | 114.3 | L589 N656 L660 | L589-L658 HydrophobicContact CD2-CD1 4.42Å; L589-L658 HydrophobicContact CD2-CD2 3.7Å; L589-L658 HydrophobicContact CD2-CG 4.1Å; N656-L658 PolarHBondContact O-N 3.44Å; N656-L658 VanDerWaalsContact O-N 3.12Å; L658-L660 HydrophobicContact CB-CD1 4.34Å; L658-L660 HydrophobicContact CB-CG 4.37Å; L658-L660 HydrophobicContact CD1-CD1 4.47Å; L658-L660 PolarHBondContact O-N 3.25Å |
| 659 | G | 40.7 | Very low | 40.7 | Very low | 38 Ų | 38 | 83.6 Ų | 83.6 | 39% | 0.392 | 46% | 0.464 | S | S | . | . | trans | 65.8 | -10.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | N656 S661 | N656-G659 PolarHBondContact O-N 3.31Å; G659-S661 VanDerWaalsContact C-N 3.26Å; G659-S661 PolarHBondContact O-N 2.97Å | ||
| 660 | L | 35.8 | Very low | 39.1 | Very low | 131 Ų | 131 | 90.4 Ų | 90.4 | 69% | 0.686 | 50% | 0.498 | S | S | * | . | trans | -68.9 | 72.3 | -178 | -66.3 | 174 | 0 | 0 | 0 | 113 | L658 S662 | L658-L660 HydrophobicContact CB-CD1 4.34Å; L658-L660 HydrophobicContact CB-CG 4.37Å; L658-L660 HydrophobicContact CD1-CD1 4.47Å; L658-L660 PolarHBondContact O-N 3.25Å; L660-S662 PolarHBondContact O-N 3.32Å | ||
| 661 | S | 25.6 | Very low | 37.5 | Very low | 103 Ų | 103 | 99.2 Ų | 99.2 | 72% | 0.72 | 53% | 0.534 | S | S | * | . | trans | -66.5 | 116 | 168 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | G659 N663 | G659-S661 VanDerWaalsContact C-N 3.26Å; G659-S661 PolarHBondContact O-N 2.97Å; S661-N663 PolarHBondContact O-N 3.43Å | ||
| 662 | S | 25.1 | Very low | 35.7 | Very low | 99 Ų | 99 | 104 Ų | 104 | 69% | 0.692 | 57% | 0.568 | S | S | * | * | trans | -74 | 105.8 | 173.4 | 59.8 | 0 | 0 | 0 | 0 | 110.1 | L660 Q664 | L660-S662 PolarHBondContact O-N 3.32Å; S662-Q664 VanDerWaalsContact C-N 3.35Å; S662-Q664 PolarHBondContact O-N 3.37Å | ||
| 663 | N | 21.9 | Very low | 34 | Very low | 147 Ų | 147 | 103.9 Ų | 103.9 | 79% | 0.786 | 58% | 0.575 | S | S | * | * | trans | -61.5 | 91.8 | 171.8 | -97.5 | -8 | 0 | 0 | 0 | 111 | S661 | S661-N663 PolarHBondContact O-N 3.43Š| ||
| 664 | Q | 25.4 | Very low | 32.2 | Very low | 158 Ų | 158 | 111.4 Ų | 111.4 | 74% | 0.738 | 62% | 0.615 | S | S | * | * | trans | -110.3 | 92.2 | 158.2 | -69.2 | -161.3 | 0.7 | 0 | 0 | 108.4 | S662 T666 | S662-Q664 VanDerWaalsContact C-N 3.35Å; S662-Q664 PolarHBondContact O-N 3.37Å; Q664-T666 PolarHBondContact O-N 3.3Å | ||
| 665 | N | 21.4 | Very low | 30.4 | Very low | 131 Ų | 131 | 117 Ų | 117 | 70% | 0.701 | 65% | 0.654 | S | S | * | * | trans | -65 | 85.7 | 166.8 | -77.4 | 0.8 | 0 | 0 | 0 | 109.3 | D667 | N665-D667 VanDerWaalsContact C-N 3.26Å; N665-D667 PolarHBondContact O-N 3.13Å | ||
| 666 | T | 23.5 | Very low | 28.7 | Very low | 111 Ų | 111 | 120.4 Ų | 120.4 | 68% | 0.681 | 68% | 0.675 | S | S | * | * | trans | -84.8 | 76.8 | 159.6 | 56.3 | 0 | 0 | 0 | 0 | 108.4 | Q664 S668 | Q664-T666 PolarHBondContact O-N 3.3Å; T666-S668 VanDerWaalsContact C-N 3.33Å; T666-S668 PolarHBondContact O-N 3.47Å | ||
| 667 | D | 21.5 | Very low | 27.3 | Very low | 146 Ų | 146 | 119.9 Ų | 119.9 | 78% | 0.781 | 69% | 0.688 | S | S | * | * | trans | -61.1 | 91.2 | 172.1 | -87.8 | -62.9 | 0 | 0 | 0 | 110.4 | N665 | N665-D667 VanDerWaalsContact C-N 3.26Å; N665-D667 PolarHBondContact O-N 3.13Å | ||
| 668 | S | 23.5 | Very low | 25.8 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 64% | 0.643 | 72% | 0.716 | S | S | * | * | trans | -135.4 | 77.7 | -179.6 | 71.1 | 0 | 0 | 0 | 0 | 112.8 | T666 | T666-S668 VanDerWaalsContact C-N 3.33Å; T666-S668 PolarHBondContact O-N 3.47Å | ||
| 669 | H | 22.1 | Very low | 24.6 | Very low | 180 Ų | 180 | 128.4 Ų | 128.4 | 83% | 0.833 | 75% | 0.745 | S | S | * | * | trans | 44.8 | 76.1 | 146 | -69 | -85.8 | 0 | 0 | 0 | 118.3 | ||||
| 670 | L | 22.3 | Very low | 23.7 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | trans | -121.4 | 98.7 | 147 | -92.6 | 172.3 | 0 | 0 | 0 | 110.4 | S672 | L670-S672 PolarHBondContact O-N 2.9Š| ||
| 671 | K | 21.2 | Very low | 23 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | -90.1 | 71.8 | -169.4 | -164.8 | 174.6 | -173.7 | 175.2 | 0 | 111 | H673 | K671-H673 PolarHBondContact O-N 2.82Š| ||
| 672 | S | 22.6 | Very low | 22.9 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -74.4 | 110 | 173.5 | 53.4 | 0 | 0 | 0 | 0 | 110.9 | L670 N674 | L670-S672 PolarHBondContact O-N 2.9Å; S672-N674 PolarHBondContact O-N 3.43Å | ||
| 673 | H | 21.5 | Very low | 22.8 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -34.1 | 119.5 | 178.3 | -64.4 | -105.3 | 0 | 0 | 0 | 116.1 | K671 | K671-H673 PolarHBondContact O-N 2.82Š| ||
| 674 | N | 20.6 | Very low | 22.8 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 125 | 156.5 | -74.2 | -10.6 | 0 | 0 | 0 | 109.2 | S672 | S672-N674 PolarHBondContact O-N 3.43Š|
| 675 | S | 23.4 | Very low | 22.7 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 156.3 | 165.7 | 52.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 676 | T | 23 | Very low | 22.7 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 132.6 | -167.1 | 45.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 677 | G | 27.7 | Very low | 22.6 | Very low | 67 Ų | 67 | 135.9 Ų | 135.9 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -164 | 131.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 678 | E | 23.5 | Very low | 22.6 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | cis | 62.8 | 109.6 | 41.2 | -49.1 | -143.7 | -145.7 | 0 | 0 | 112.5 | K1168 | E678-K1168 WeakPolarHBondContact OE1-CE 3.35Å; E678-K1168 IonicContact OE1-NZ 3.9Å; E678-K1168 PolarHBondContact OE1-NZ 3.43Å; E678-K1168 WeakPolarHBondContact OE2-CE 3.29Å; E678-K1168 IonicContact OE2-NZ 2.92Å; E678-K1168 PolarHBondContact OE2-NZ 3.4Å | ||
| 679 | G | 24.1 | Very low | 22.5 | Very low | 69 Ų | 69 | 136.3 Ų | 136.3 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | cis | 174 | 165.2 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 680 | F | 21.8 | Very low | 22.5 | Very low | 195 Ų | 195 | 131.3 Ų | 131.3 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | 59.9 | 108.1 | 171.1 | -76.4 | -85.5 | 0 | 0 | 0 | 120.2 | ||||
| 681 | N | 22 | Very low | 22.6 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 69% | 0.69 | 79% | 0.789 | S | S | * | * | 41.2 | 132.1 | 123 | -63.6 | 15.9 | 0 | 0 | 0 | 122.4 | |||||
| 682 | T | 22.5 | Very low | 22.7 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | trans | 55.6 | 109.2 | 137.9 | 60.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 683 | N | 23.7 | Very low | 22.9 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | -175.3 | 148.7 | 60.2 | -92.6 | -36.7 | 0 | 0 | 0 | 113.7 | |||||
| 684 | T | 21.9 | Very low | 22.9 | Very low | 129 Ų | 129 | 126 Ų | 126 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 59 | 142.8 | 150.4 | 52.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 685 | P | 22 | Very low | 23 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -92.1 | 142.4 | -173.6 | 36 | -34.5 | 0 | 0 | 0 | 114.1 | ||||
| 686 | S | 21.6 | Very low | 23 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -127.2 | 100.4 | 168.8 | 63 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 687 | T | 21.2 | Very low | 22.8 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | 38.7 | 84.2 | 147.2 | -42.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 688 | V | 21.6 | Very low | 22.5 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | 27.7 | 126.5 | 123.1 | 179.6 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 689 | S | 21.8 | Very low | 22.4 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | 75.8 | 152.2 | 154.7 | 77.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 690 | G | 21.7 | Very low | 22.3 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | 137.1 | 6.7 | 164 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 691 | I | 24.4 | Very low | 22.4 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | -103 | 127.8 | -173.9 | -61.2 | -178.8 | 0 | 0 | 0 | 112.8 | ||||
| 692 | Q | 25.2 | Very low | 22.3 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | -66 | 165.2 | 174.1 | -123.6 | -176.5 | 41.8 | 0 | 0 | 111.7 | ||||
| 693 | P | 25.7 | Very low | 22.4 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | -155.1 | 174.9 | 74.4 | 41.6 | -20.7 | 0 | 0 | 0 | 118.8 | |||||
| 694 | S | 21.8 | Very low | 22.4 | Very low | 82 Ų | 82 | 134.3 Ų | 134.3 | 57% | 0.573 | 80% | 0.795 | S | S | * | * | trans | -39.8 | 144.3 | 169.1 | 55.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 695 | Q | 21.4 | Very low | 22.4 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | -5.7 | 128 | 127 | -57.5 | 169 | 1.1 | 0 | 0 | 115.3 | |||||
| 696 | F | 23.4 | Very low | 22.5 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -147.1 | 122.9 | 138.3 | -112.1 | -72.7 | 0 | 0 | 0 | 111 | ||||
| 697 | T | 19.6 | Very low | 22.7 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -85.1 | 136.6 | 165.1 | 49.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 698 | T | 22.1 | Very low | 22.9 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -154.8 | 137 | 139.5 | 13 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 699 | S | 20.4 | Very low | 22.9 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | trans | -59.4 | 130.6 | 173.2 | 46.9 | 0 | 0 | 0 | 0 | 113 | T701 | S699-T701 PolarHBondContact O-N 2.86Š| ||
| 700 | T | 22 | Very low | 23.1 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -72.6 | 91.2 | 164.3 | -44.1 | 0 | 0 | 0 | 0 | 109.8 | Q702 | T700-Q702 PolarHBondContact O-N 3.31Å; T700-Q702 VanDerWaalsContact O-N 3.1Å | ||
| 701 | T | 23.9 | Very low | 23.4 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -74.9 | 100.1 | 176.8 | 45.7 | 0 | 0 | 0 | 0 | 111.4 | S699 S703 | S699-T701 PolarHBondContact O-N 2.86Å; T701-S703 PolarHBondContact O-N 2.86Å | ||
| 702 | Q | 20.3 | Very low | 23.4 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -17.3 | 88.3 | 155.6 | -174.9 | -170.1 | -7.9 | 0 | 0 | 116.9 | T700 | T700-Q702 PolarHBondContact O-N 3.31Å; T700-Q702 VanDerWaalsContact O-N 3.1Å | ||
| 703 | S | 24.7 | Very low | 23.4 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -170.1 | 99.6 | 148.9 | 54.2 | 0 | 0 | 0 | 0 | 111.6 | T701 | T701-S703 PolarHBondContact O-N 2.86Š| ||
| 704 | D | 24.7 | Very low | 23.4 | Very low | 166 Ų | 166 | 142 Ų | 142 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | -173 | 138.5 | 115.1 | -98 | -17.8 | 0 | 0 | 0 | 111.7 | |||||
| 705 | I | 20.4 | Very low | 23.7 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 82% | 0.815 | 78% | 0.783 | S | S | * | * | trans | -123.3 | 115.2 | 176.9 | -58.2 | 171.8 | 0 | 0 | 0 | 106.9 | ||||
| 706 | L | 23.9 | Very low | 24 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | 177.1 | 173.1 | 137.5 | -97.8 | 163.7 | 0 | 0 | 0 | 112.9 | ||||
| 707 | S | 25.8 | Very low | 24 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | 52.9 | 78.7 | 164.2 | 52.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 708 | N | 25.4 | Very low | 24.2 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | -172.1 | 116.1 | 96.2 | -99.4 | -52.8 | 0 | 0 | 0 | 113.4 | |||||
| 709 | R | 23 | Very low | 24.4 | Very low | 210 Ų | 210 | 145.2 Ų | 145.2 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | trans | -124.5 | 86.1 | 177.6 | 179 | -176.5 | 170.8 | 163.8 | -5.8 | 110 | E713 | R709-E713 IonicContact CZ-OE1 2.81Å; R709-E713 IonicContact NE-OE1 3.48Å; R709-E713 PolarHBondContact NE-OE1 3.16Å; R709-E713 VanDerWaalsContact NE-OE1 3.14Å; R709-E713 IonicContact NH2-OE1 3.55Å; R709-E713 PolarHBondContact NH2-OE1 3.16Å | ||
| 710 | S | 25.3 | Very low | 24.4 | Very low | 94 Ų | 94 | 152.9 Ų | 152.9 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | trans | -143.5 | 4.4 | -174.2 | 53.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 711 | I | 27.3 | Very low | 24.5 | Very low | 153 Ų | 153 | 157 Ų | 157 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -114.3 | -28.5 | 175.2 | -72.9 | 91.3 | 0 | 0 | 0 | 113.9 | E713 | I711-E713 PolarHBondContact O-N 3.18Å; I711-E713 VanDerWaalsContact O-N 3.13Å |
| 712 | A | 24.7 | Very low | 24.5 | Very low | 84 Ų | 84 | 162.8 Ų | 162.8 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -0.3 | -159.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 713 | E | 25.6 | Very low | 24.8 | Very low | 140 Ų | 140 | 159.4 Ų | 159.4 | 65% | 0.654 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.2 | -4.4 | -166 | -83.9 | 177.4 | -149.9 | 0 | 0 | 117 | R709 I711 | R709-E713 IonicContact CZ-OE1 2.81Å; R709-E713 IonicContact NE-OE1 3.48Å; R709-E713 PolarHBondContact NE-OE1 3.16Å; R709-E713 VanDerWaalsContact NE-OE1 3.14Å; R709-E713 IonicContact NH2-OE1 3.55Å; R709-E713 PolarHBondContact NH2-OE1 3.16Å; I711-E713 PolarHBondContact O-N 3.18Å; I711-E713 VanDerWaalsContact O-N 3.13Å |
| 714 | K | 26.4 | Very low | 24.8 | Very low | 197 Ų | 197 | 160.5 Ų | 160.5 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -93.9 | -0.5 | -171.6 | -124.3 | 174.4 | -175.3 | 176 | 0 | 117.6 | ||
| 715 | V | 28.3 | Very low | 24.7 | Very low | 131 Ų | 131 | 158 Ų | 158 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -116 | -15.4 | -173.1 | -172.9 | 0 | 0 | 0 | 0 | 114.5 | S717 | V715-S717 PolarHBondContact O-N 2.86Š|
| 716 | K | 26 | Very low | 25 | Very low | 202 Ų | 202 | 153.7 Ų | 153.7 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 15 | -174.1 | -86.8 | 178.1 | 175.8 | 169.1 | 0 | 116.2 | ||
| 717 | S | 24.5 | Very low | 25 | Very low | 100 Ų | 100 | 154.1 Ų | 154.1 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 17.4 | -172.9 | 62.2 | 0 | 0 | 0 | 0 | 115.8 | V715 | V715-S717 PolarHBondContact O-N 2.86Š|
| 718 | N | 24.4 | Very low | 25.1 | Very low | 129 Ų | 129 | 155.7 Ų | 155.7 | 69% | 0.69 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -133.7 | 164.1 | 166.2 | -86.4 | -55.8 | 0 | 0 | 0 | 111.7 | R720 | N718-R720 PolarHBondContact O-N 3.39Š|
| 719 | Y | 26.1 | Very low | 25.3 | Very low | 223 Ų | 223 | 156.7 Ų | 156.7 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | 66.5 | 22.5 | 176.1 | -53.9 | -74.8 | 0 | 0 | 0 | 119 | R721 | Y719-R721 PolarHBondContact O-N 2.81Š| ||
| 720 | R | 20.9 | Very low | 25.5 | Very low | 254 Ų | 254 | 158.3 Ų | 158.3 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | trans | -77.8 | 71.6 | 152.7 | -98.2 | -173.6 | 171.4 | 174.8 | -1.4 | 111.2 | N718 | N718-R720 PolarHBondContact O-N 3.39Š| ||
| 721 | R | 23.8 | Very low | 25.7 | Very low | 233 Ų | 233 | 161.8 Ų | 161.8 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -82.1 | 114.5 | 155.7 | -74.6 | -164.3 | -176.6 | -166.5 | 5.9 | 107.6 | Y719 | Y719-R721 PolarHBondContact O-N 2.81Š| ||
| 722 | R | 24 | Very low | 26.1 | Very low | 238 Ų | 238 | 164.4 Ų | 164.4 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 141.1 | 167 | -75.4 | 177.5 | 167.1 | 171.4 | -6 | 108.4 | ||
| 723 | P | 26.1 | Very low | 26.3 | Very low | 125 Ų | 125 | 166.5 Ų | 166.5 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 143.4 | 160.2 | -22.7 | 34 | 0 | 0 | 0 | 109.7 | A725 | P723-A725 PolarHBondContact O-N 3.19Š|
| 724 | S | 24.5 | Very low | 26.7 | Very low | 120 Ų | 120 | 164.6 Ų | 164.6 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 136.3 | -177.9 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | G726 | S724-G726 PolarHBondContact O-N 3.37Å; S724-G726 VanDerWaalsContact O-N 3.09Å |
| 725 | A | 23.4 | Very low | 27.1 | Very low | 115 Ų | 115 | 158.8 Ų | 158.8 | 95% | 0.95 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -68.2 | 108.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | P723 | P723-A725 PolarHBondContact O-N 3.19Š|
| 726 | G | 25.6 | Very low | 27.3 | Very low | 68 Ų | 68 | 156.9 Ų | 156.9 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -179.7 | 28.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S724 | S724-G726 PolarHBondContact O-N 3.37Å; S724-G726 VanDerWaalsContact O-N 3.09Å | ||
| 727 | L | 24.6 | Very low | 27.6 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | trans | -110.1 | 60.3 | -179.5 | -152.4 | 137 | 0 | 0 | 0 | 110.3 | ||||
| 728 | T | 27.5 | Very low | 27.9 | Very low | 131 Ų | 131 | 149.3 Ų | 149.3 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | -102.8 | 133.2 | 169.2 | 45.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 729 | H | 29.2 | Very low | 28.3 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 75.4 | 155.9 | -176.1 | -126.7 | 64.6 | 0 | 0 | 0 | 116.1 | ||
| 730 | R | 26.8 | Very low | 28.5 | Very low | 244 Ų | 244 | 145.9 Ų | 145.9 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -121.2 | 35.5 | -142 | -151.7 | -176.7 | -169.8 | -170.8 | 2.9 | 113.8 | ||
| 731 | Q | 31.2 | Very low | 28.7 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | -129.5 | 146 | -175.7 | -69.8 | 175.2 | -19.9 | 0 | 0 | 110.2 | ||||
| 732 | K | 35 | Very low | 28.9 | Very low | 208 Ų | 208 | 133.6 Ų | 133.6 | 90% | 0.904 | 70% | 0.7 | S | S | * | * | trans | 65.1 | 60.6 | -172.3 | -52.7 | -172.6 | -179.5 | -173.1 | 0 | 114.7 | ||||
| 733 | Q | 27.9 | Very low | 28.9 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 60% | 0.603 | 69% | 0.689 | S | S | * | * | trans | -62.3 | 140.9 | 147.6 | -175.3 | 170.1 | -7.1 | 0 | 0 | 107.9 | D737 | Q733-D737 PolarHBondContact NE2-OD2 3.17Š| ||
| 734 | L | 35.8 | Very low | 28.8 | Very low | 99 Ų | 99 | 130.7 Ų | 130.7 | 52% | 0.518 | 69% | 0.694 | S | S | . | * | trans | -66.9 | 132.8 | -176.7 | -68.3 | 170.5 | 0 | 0 | 0 | 110.2 | W736 D737 | L734-W736 VanDerWaalsContact C-N 3.27Å; L734-W736 PolarHBondContact O-N 3.21Å; L734-D737 PolarHBondContact O-N 3.37Å | ||
| 735 | P | 33.4 | Very low | 28.7 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 49% | 0.494 | 69% | 0.687 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.3 | -30.3 | -171.5 | -29.5 | 37.1 | 0 | 0 | 0 | 115.7 | T572 D737 | T572-P735 HydrophobicContact CG2-CB 3.57Å; P735-D737 PolarHBondContact O-N 3.39Å |
| 736 | W | 33.8 | Very low | 28.7 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 34% | 0.341 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.7 | 36.4 | -178.6 | 29.2 | 55.8 | 0 | 0 | 0 | 113.2 | A567 G571 T572 L734 P738 | A567-W736 WeakPolarHBondContact O-CH2 3.48Å; G571-W736 VanDerWaalsContact C-CZ3 3.49Å; T572-W736 HydrophobicContact CG2-CD2 4.2Å; T572-W736 HydrophobicContact CG2-CE3 3.43Å; T572-W736 VanDerWaalsContact CG2-CE3 3.43Å; T572-W736 HydrophobicContact CG2-CZ3 3.71Å; L734-W736 VanDerWaalsContact C-N 3.27Å; L734-W736 PolarHBondContact O-N 3.21Å; W736-P738 WeakPolarHBondContact O-CD 3.48Å |
| 737 | D | 30.9 | Very low | 28.4 | Very low | 29 Ų | 29 | 131.4 Ų | 131.4 | 16% | 0.155 | 68% | 0.681 | C | S | . | * | trans | -68.8 | 114.6 | 164.9 | -172.2 | -25.6 | 0 | 0 | 0 | 108.8 | Q733 L734 P735 R739 I740 | Q733-D737 PolarHBondContact NE2-OD2 3.17Å; L734-D737 PolarHBondContact O-N 3.37Å; P735-D737 PolarHBondContact O-N 3.39Å; D737-R739 PolarHBondContact O-N 3.22Å; D737-R739 WeakPolarHBondContact OD1-CB 3.39Å; D737-R739 WeakPolarHBondContact OD1-CG 3.29Å; D737-R739 IonicContact OD1-CZ 3.18Å; D737-R739 PolarHBondContact OD1-N 2.99Å; D737-R739 IonicContact OD1-NE 3.36Å; D737-R739 PolarHBondContact OD1-NE 2.76Å; D737-R739 IonicContact OD1-NH2 2.7Å; D737-R739 IonicContact OD2-CZ 3.47Å; D737-R739 IonicContact OD2-NE 3.54Å; D737-R739 PolarHBondContact OD2-NE 3.36Å; D737-R739 IonicContact OD2-NH2 2.69Å; D737-R739 PolarHBondContact OD2-NH2 3.48Å; D737-I740 HydrophobicContact CB-CD1 4.45Å; D737-I740 HydrophobicContact CB-CG1 4.43Å; D737-I740 WeakPolarHBondContact O-CG1 3.04Å; D737-I740 PolarHBondContact O-N 2.98Å | ||
| 738 | P | 32.2 | Very low | 28.4 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 3.9 | -172.8 | 29.1 | -36.4 | 0 | 0 | 0 | 114 | W736 I740 | W736-P738 WeakPolarHBondContact O-CD 3.48Å; P738-I740 VanDerWaalsContact C-N 3.28Å |
| 739 | R | 31.6 | Very low | 28.1 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 74% | 0.736 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -5.3 | 166.6 | -61.1 | 176.6 | -67.5 | 168 | 0.8 | 113 | D737 S741 | D737-R739 PolarHBondContact O-N 3.22Å; D737-R739 WeakPolarHBondContact OD1-CB 3.39Å; D737-R739 WeakPolarHBondContact OD1-CG 3.29Å; D737-R739 IonicContact OD1-CZ 3.18Å; D737-R739 PolarHBondContact OD1-N 2.99Å; D737-R739 IonicContact OD1-NE 3.36Å; D737-R739 PolarHBondContact OD1-NE 2.76Å; D737-R739 IonicContact OD1-NH2 2.7Å; D737-R739 IonicContact OD2-CZ 3.47Å; D737-R739 IonicContact OD2-NE 3.54Å; D737-R739 PolarHBondContact OD2-NE 3.36Å; D737-R739 IonicContact OD2-NH2 2.69Å; D737-R739 PolarHBondContact OD2-NH2 3.48Å; R739-S741 PolarHBondContact O-N 3.22Å |
| 740 | I | 30 | Very low | 28 | Very low | 85 Ų | 85 | 130.6 Ų | 130.6 | 44% | 0.436 | 68% | 0.68 | S | S | . | * | trans | -91.4 | 90.8 | 169.1 | -49.3 | 177 | 0 | 0 | 0 | 107.8 | D737 P738 I742 | D737-I740 HydrophobicContact CB-CD1 4.45Å; D737-I740 HydrophobicContact CB-CG1 4.43Å; D737-I740 WeakPolarHBondContact O-CG1 3.04Å; D737-I740 PolarHBondContact O-N 2.98Å; P738-I740 VanDerWaalsContact C-N 3.28Å; I740-I742 VanDerWaalsContact C-N 3.34Å; I740-I742 HydrophobicContact CG2-CD1 4.2Å; I740-I742 HydrophobicContact CG2-CG1 3.66Å; I740-I742 PolarHBondContact O-N 3.26Å | ||
| 741 | S | 26 | Very low | 27.8 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | trans | -71.6 | 89 | 168.4 | 53.9 | 0 | 0 | 0 | 0 | 109.5 | R739 D743 | R739-S741 PolarHBondContact O-N 3.22Å; S741-D743 PolarHBondContact O-N 3.03Å | ||
| 742 | I | 27.4 | Very low | 27.5 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 66% | 0.662 | 68% | 0.681 | S | S | * | * | trans | -82 | 100 | 167.7 | -53.5 | -175.9 | 0 | 0 | 0 | 107.2 | I740 L744 | I740-I742 VanDerWaalsContact C-N 3.34Å; I740-I742 HydrophobicContact CG2-CD1 4.2Å; I740-I742 HydrophobicContact CG2-CG1 3.66Å; I740-I742 PolarHBondContact O-N 3.26Å; I742-L744 PolarHBondContact O-N 3.19Å | ||
| 743 | D | 25.3 | Very low | 26.9 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 67% | 0.668 | 67% | 0.673 | S | S | * | * | trans | -65 | 106.7 | 173.2 | -72.1 | -39.8 | 0 | 0 | 0 | 109.7 | S741 S745 | S741-D743 PolarHBondContact O-N 3.03Å; D743-S745 PolarHBondContact O-N 3.42Å | ||
| 744 | L | 23.7 | Very low | 26.7 | Very low | 176 Ų | 176 | 122.6 Ų | 122.6 | 92% | 0.921 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -74 | 53.4 | 176.1 | -81.8 | 150.3 | 0 | 0 | 0 | 111.5 | I742 | I742-L744 PolarHBondContact O-N 3.19Š|
| 745 | S | 22.1 | Very low | 26 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 70% | 0.699 | 69% | 0.686 | S | S | * | * | trans | -155.6 | 65.7 | -177.8 | 64.7 | 0 | 0 | 0 | 0 | 112.9 | D743 | D743-S745 PolarHBondContact O-N 3.42Š| ||
| 746 | S | 22.9 | Very low | 25.5 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 83% | 0.832 | 70% | 0.704 | S | S | * | * | trans | -138 | 53.3 | -179.6 | 60.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 747 | S | 20.4 | Very low | 25.1 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | trans | -125.1 | 22.3 | 177.2 | 61.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 748 | Y | 23 | Very low | 24.7 | Very low | 215 Ų | 215 | 144.8 Ų | 144.8 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | -130.3 | 111.2 | 173.1 | -82.7 | -74.6 | 0 | 0 | 0 | 113.6 | S750 | Y748-S750 PolarHBondContact O-N 2.94Š| ||
| 749 | P | 21.2 | Very low | 24.3 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 84% | 0.844 | 76% | 0.76 | S | S | * | * | trans | -88.7 | 74.3 | -179.2 | 34.8 | -34.8 | 0 | 0 | 0 | 112.7 | ||||
| 750 | S | 27.1 | Very low | 23.9 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | -86.2 | 138.2 | 173.2 | 58.2 | 0 | 0 | 0 | 0 | 112.9 | Y748 | Y748-S750 PolarHBondContact O-N 2.94Š| ||
| 751 | K | 23.8 | Very low | 23.7 | Very low | 195 Ų | 195 | 147.8 Ų | 147.8 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | trans | -78.8 | 143.1 | -168.1 | -64.9 | 163.5 | -177.9 | 166.6 | 0 | 113.7 | ||||
| 752 | K | 23.5 | Very low | 23.5 | Very low | 199 Ų | 199 | 151.3 Ų | 151.3 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | 39.3 | 113.5 | 145.6 | -58.8 | 179.4 | 179.3 | -176.2 | 0 | 118.2 | ||||
| 753 | S | 22.6 | Very low | 23.3 | Very low | 104 Ų | 104 | 150.3 Ų | 150.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | 153.7 | 136.5 | 98.9 | -171 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 754 | S | 24.1 | Very low | 23.1 | Very low | 81 Ų | 81 | 151.2 Ų | 151.2 | 57% | 0.566 | 79% | 0.792 | S | S | * | * | trans | 61.3 | 123.5 | 144.6 | 58.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 755 | R | 21.7 | Very low | 22.9 | Very low | 222 Ų | 222 | 150.4 Ų | 150.4 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | 75.5 | 89.1 | 137.9 | -73.8 | -177.2 | -85.6 | -135.3 | -3.3 | 120.1 | ||||
| 756 | L | 21.6 | Very low | 22.8 | Very low | 166 Ų | 166 | 155.3 Ų | 155.3 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | 29.4 | 100.3 | 110.1 | -66.1 | 168.9 | 0 | 0 | 0 | 117.5 | |||||
| 757 | I | 27.3 | Very low | 22.7 | Very low | 146 Ų | 146 | 155.1 Ų | 155.1 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | trans | -130.4 | 123 | 137.8 | -63.2 | -175.5 | 0 | 0 | 0 | 108 | ||||
| 758 | R | 21.6 | Very low | 22.8 | Very low | 225 Ų | 225 | 157.1 Ų | 157.1 | 85% | 0.849 | 80% | 0.799 | S | S | * | * | trans | -108.2 | 111.6 | 178.4 | -177.8 | -173.1 | -170.7 | -179.4 | 5.4 | 108.6 | ||||
| 759 | R | 24.1 | Very low | 22.7 | Very low | 216 Ų | 216 | 154.2 Ų | 154.2 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | -134.1 | 123.9 | 167.5 | -79.4 | -168.3 | 166.3 | 111.4 | -0.5 | 110.3 | ||||
| 760 | N | 23.3 | Very low | 22.7 | Very low | 148 Ų | 148 | 154.6 Ų | 154.6 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -85.9 | 129.4 | 167.2 | -63.9 | 0.2 | 0 | 0 | 0 | 108 | ||||
| 761 | S | 26.2 | Very low | 22.7 | Very low | 94 Ų | 94 | 154.3 Ų | 154.3 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | -154.2 | 98.4 | 164.7 | 52.8 | 0 | 0 | 0 | 0 | 109.7 | C763 | S761-C763 PolarHBondContact O-N 3.33Š| ||
| 762 | N | 21.8 | Very low | 22.7 | Very low | 174 Ų | 174 | 151.1 Ų | 151.1 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | -78.5 | 106.2 | 169.4 | -68 | -4.5 | 0 | 0 | 0 | 108.5 | ||||
| 763 | C | 21.6 | Very low | 22.7 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | trans | -153 | 149.3 | 161.9 | 45 | 0 | 0 | 0 | 0 | 111.6 | S761 | S761-C763 PolarHBondContact O-N 3.33Š| ||
| 764 | N | 22 | Very low | 22.7 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | -74.1 | 144.7 | -161.6 | -57.9 | -29.1 | 0 | 0 | 0 | 113.9 | F766 | N764-F766 PolarHBondContact O-N 3.01Å; N764-F766 VanDerWaalsContact O-N 3.17Å | ||
| 765 | L | 18.6 | Very low | 23 | Very low | 159 Ų | 159 | 151 Ų | 151 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | 18.6 | 84.6 | 132 | -162.1 | 79 | 0 | 0 | 0 | 116.3 | ||||
| 766 | F | 21.2 | Very low | 23 | Very low | 203 Ų | 203 | 147 Ų | 147 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 118.9 | 160.3 | -90.6 | -91.8 | 0 | 0 | 0 | 109.2 | N764 | N764-F766 PolarHBondContact O-N 3.01Å; N764-F766 VanDerWaalsContact O-N 3.17Å |
| 767 | T | 19.9 | Very low | 23.3 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 140.8 | 170.4 | -58.1 | 0 | 0 | 0 | 0 | 109.2 | N769 | T767-N769 PolarHBondContact O-N 2.78Š|
| 768 | V | 22.5 | Very low | 23.1 | Very low | 140 Ų | 140 | 147.9 Ų | 147.9 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 130.5 | 177 | 177.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 769 | N | 21.6 | Very low | 23.4 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -107.1 | 137.7 | 174.7 | -155.3 | 10.2 | 0 | 0 | 0 | 109.9 | T767 | T767-N769 PolarHBondContact O-N 2.78Š| ||
| 770 | N | 21.8 | Very low | 23.4 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -91.1 | 143.5 | -169.1 | -167.3 | 8.3 | 0 | 0 | 0 | 111.8 | ||||
| 771 | S | 26.2 | Very low | 23.5 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -146.9 | 117.9 | 175.8 | 63 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 772 | N | 22.8 | Very low | 23.6 | Very low | 127 Ų | 127 | 144 Ų | 144 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | trans | -77.7 | 170.5 | -173.4 | -58.6 | -38.6 | 0 | 0 | 0 | 114 | ||||
| 773 | N | 23.5 | Very low | 23.6 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | 118.6 | 103.7 | 146.3 | -58.1 | -36.4 | 0 | 0 | 0 | 116.9 | ||||
| 774 | L | 23.1 | Very low | 23.9 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | 41.6 | 151.8 | 101.8 | -63.6 | 162.5 | 0 | 0 | 0 | 119.2 | |||||
| 775 | P | 30.4 | Very low | 23.9 | Very low | 93 Ų | 93 | 147.7 Ų | 147.7 | 60% | 0.604 | 78% | 0.784 | S | S | * | * | cis | -149.1 | -167 | -36.1 | 42.7 | -24.2 | 0 | 0 | 0 | 114.2 | ||||
| 776 | I | 22 | Very low | 24.4 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | 64.3 | 114 | 158.3 | -55.6 | 160.2 | 0 | 0 | 0 | 117.9 | ||||
| 777 | K | 28.6 | Very low | 24.5 | Very low | 203 Ų | 203 | 143.3 Ų | 143.3 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | -163.2 | 127 | 113.7 | -107.9 | 171.2 | -170.8 | 175.1 | 0 | 113.1 | |||||
| 778 | N | 22.3 | Very low | 24.9 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | trans | -63.7 | 154.8 | 176.8 | -52.4 | -8.3 | 0 | 0 | 0 | 111.9 | ||||
| 779 | N | 28.5 | Very low | 25.1 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | -156.7 | 152 | 119.1 | -98.3 | -25.4 | 0 | 0 | 0 | 111.3 | |||||
| 780 | H | 23.2 | Very low | 25.2 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | -93.7 | -175.5 | -178.8 | -73.8 | -97.6 | 0 | 0 | 0 | 111.8 | ||||
| 781 | I | 25.5 | Very low | 25.5 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 86% | 0.862 | 78% | 0.776 | S | S | * | * | trans | 83.5 | 129.7 | 166.2 | -50 | 163.9 | 0 | 0 | 0 | 112.1 | ||||
| 782 | S | 27.6 | Very low | 25.6 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | cis | -138.3 | 153.7 | 4.5 | 31.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 783 | N | 21.8 | Very low | 25.5 | Very low | 164 Ų | 164 | 152 Ų | 152 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | -65.1 | 140.8 | 167.4 | -58.7 | -28.5 | 0 | 0 | 0 | 110.4 | ||||
| 784 | H | 28.7 | Very low | 25.6 | Very low | 186 Ų | 186 | 153.2 Ų | 153.2 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | trans | -137.7 | 138.2 | 144.6 | -147.6 | -79 | 0 | 0 | 0 | 110.5 | ||||
| 785 | L | 22.7 | Very low | 26 | Very low | 154 Ų | 154 | 152 Ų | 152 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | -78.1 | 137 | -173.7 | -152.5 | 76.7 | 0 | 0 | 0 | 110.7 | ||||
| 786 | V | 27.6 | Very low | 25.9 | Very low | 108 Ų | 108 | 153.7 Ų | 153.7 | 66% | 0.655 | 80% | 0.801 | S | S | * | * | 175.2 | 104.2 | 116.9 | 158.8 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 787 | N | 23.8 | Very low | 26 | Very low | 162 Ų | 162 | 153 Ų | 153 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -103.5 | 122.2 | 162.7 | -81.7 | 7.7 | 0 | 0 | 0 | 107.3 | ||||
| 788 | N | 28.2 | Very low | 25.8 | Very low | 141 Ų | 141 | 150.1 Ų | 150.1 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -117.3 | 96 | 170 | -90.6 | -2.5 | 0 | 0 | 0 | 110.2 | ||||
| 789 | I | 27.3 | Very low | 26.2 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | trans | 55.2 | 82 | 144.5 | -47.5 | 170.1 | 0 | 0 | 0 | 115.1 | ||||
| 790 | E | 23.2 | Very low | 26 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | -76.4 | 134.6 | 125.6 | -66.1 | 177.7 | 128.2 | 0 | 0 | 107.5 | |||||
| 791 | N | 27.8 | Very low | 26 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | trans | 175.2 | 115.3 | 151.8 | -93.8 | -18.8 | 0 | 0 | 0 | 108.9 | ||||
| 792 | D | 28.6 | Very low | 26.1 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | 176.7 | 84.2 | 132.6 | -92.7 | -6.5 | 0 | 0 | 0 | 108.8 | ||||
| 793 | M | 21.2 | Very low | 25.9 | Very low | 180 Ų | 180 | 148.1 Ų | 148.1 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | -147.9 | 149.2 | 168 | -97.9 | -138.9 | 149.6 | 0 | 0 | 109.8 | ||||
| 794 | L | 24.7 | Very low | 26 | Very low | 162 Ų | 162 | 148.3 Ų | 148.3 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | 70.9 | 114.7 | 175.1 | -55.6 | 163.1 | 0 | 0 | 0 | 116.3 | ||||
| 795 | T | 32.7 | Very low | 25.8 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | -161.2 | 129.7 | 123.3 | 8.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 796 | D | 28.3 | Very low | 25.8 | Very low | 128 Ų | 128 | 141.7 Ų | 141.7 | 68% | 0.684 | 78% | 0.78 | S | S | * | * | trans | 61.9 | 98.8 | 139.8 | -57.7 | -14.2 | 0 | 0 | 0 | 124.6 | ||||
| 797 | N | 24.5 | Very low | 25.7 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | 66.8 | 127.2 | 105.8 | -57 | -33.5 | 0 | 0 | 0 | 123.1 | |||||
| 798 | N | 24.4 | Very low | 25.5 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | 58.6 | 100.9 | 135.6 | -59.6 | -19.3 | 0 | 0 | 0 | 120.6 | ||||
| 799 | T | 29.5 | Very low | 25.4 | Very low | 152 Ų | 152 | 149.4 Ų | 149.4 | 93% | 0.933 | 79% | 0.791 | S | S | * | * | -168.4 | 167.4 | 100.5 | 20.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 800 | G | 25 | Very low | 25.4 | Very low | 61 Ų | 61 | 146.9 Ų | 146.9 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | -109 | 170.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 801 | Y | 22.1 | Very low | 25.5 | Very low | 224 Ų | 224 | 144.3 Ų | 144.3 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | 33.7 | 129.3 | 157.3 | -57.3 | -85 | 0 | 0 | 0 | 118.9 | ||||
| 802 | N | 27.6 | Very low | 25.6 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | cis | -148.2 | 167 | 29.2 | -115.9 | -11.4 | 0 | 0 | 0 | 112.4 | ||||
| 803 | P | 23.4 | Very low | 25.4 | Very low | 107 Ų | 107 | 146.2 Ų | 146.2 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | trans | -89.4 | 147.4 | 177.4 | 35.4 | -32.4 | 0 | 0 | 0 | 112.9 | ||||
| 804 | L | 24.2 | Very low | 25.5 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 88% | 0.88 | 79% | 0.786 | S | S | * | * | trans | -165.3 | 152.1 | 136.1 | -108.4 | 168.1 | 0 | 0 | 0 | 112.4 | ||||
| 805 | S | 25.4 | Very low | 25.6 | Very low | 93 Ų | 93 | 143.2 Ų | 143.2 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | trans | 31.9 | 110 | 160.5 | 52.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 806 | S | 22.9 | Very low | 25.4 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 41.9 | 107.7 | 130.7 | 54.5 | 0 | 0 | 0 | 0 | 121.5 | I808 | S806-I808 PolarHBondContact O-N 2.86Š| ||
| 807 | K | 24.2 | Very low | 25.5 | Very low | 197 Ų | 197 | 142.9 Ų | 142.9 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | trans | -28.6 | 117.6 | 137.7 | -57.9 | 164.7 | 179.9 | 174.2 | 0 | 114 | ||||
| 808 | I | 21.4 | Very low | 25.7 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -115.6 | 144 | 133.2 | -68 | -178.5 | 0 | 0 | 0 | 106.2 | S806 | S806-I808 PolarHBondContact O-N 2.86Š| ||
| 809 | Y | 25.1 | Very low | 25.9 | Very low | 221 Ų | 221 | 142.1 Ų | 142.1 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 139 | -176.2 | -127.9 | -99.9 | 0 | 0 | 0 | 110.4 | ||
| 810 | A | 26.6 | Very low | 25.9 | Very low | 94 Ų | 94 | 141.8 Ų | 141.8 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 161.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 811 | D | 26.1 | Very low | 26 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 152.9 | 178.4 | -73.8 | -59.6 | 0 | 0 | 0 | 115.8 | ||
| 812 | N | 29.5 | Very low | 26.2 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 92% | 0.92 | 76% | 0.762 | S | S | * | * | trans | -131.5 | 118.7 | 134.7 | -92.7 | -71.2 | 0 | 0 | 0 | 109.7 | ||||
| 813 | K | 25.1 | Very low | 26.4 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | trans | -74.5 | 142 | -177.2 | -67.9 | 174.8 | 176.2 | 173.9 | 0 | 112.2 | ||||
| 814 | C | 23.6 | Very low | 26.7 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 88% | 0.878 | 76% | 0.758 | S | S | * | * | trans | -163.2 | 135.7 | 135.7 | -114.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 815 | N | 25.4 | Very low | 26.9 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | -85.6 | 154.3 | 174.2 | -60.5 | -5 | 0 | 0 | 0 | 110.3 | ||||
| 816 | N | 29.5 | Very low | 27.5 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | -177.1 | 136.4 | 100.4 | -127.6 | 46.3 | 0 | 0 | 0 | 115 | |||||
| 817 | D | 30.1 | Very low | 27.6 | Very low | 117 Ų | 117 | 145 Ų | 145 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | trans | 57.1 | 112.3 | 137.7 | -69.9 | 8.8 | 0 | 0 | 0 | 125.1 | ||||
| 818 | N | 29.5 | Very low | 28.1 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | 88.3 | 111.5 | 116.3 | -70 | -35.9 | 0 | 0 | 0 | 124.4 | |||||
| 819 | N | 27.8 | Very low | 28.5 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | 89.7 | 153.9 | 122.1 | -64.6 | -18.6 | 0 | 0 | 0 | 123.7 | |||||
| 820 | N | 29.5 | Very low | 28.9 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | trans | 77.2 | 115.3 | 170.7 | -57.7 | -11.8 | 0 | 0 | 0 | 115.1 | ||||
| 821 | S | 26.3 | Very low | 29 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | 70.9 | 138 | 65.4 | 81.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 822 | D | 27.9 | Very low | 29.4 | Very low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | cis | -168.5 | -171.9 | 18.8 | -137.5 | -28.4 | 0 | 0 | 0 | 111.3 | ||||
| 823 | I | 30.3 | Very low | 29.5 | Very low | 136 Ų | 136 | 136.7 Ų | 136.7 | 70% | 0.697 | 73% | 0.727 | S | S | * | * | trans | 84.8 | 122.7 | 147.4 | -78 | 160.8 | 0 | 0 | 0 | 123.1 | ||||
| 824 | D | 31.4 | Very low | 29.9 | Very low | 126 Ų | 126 | 139 Ų | 139 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | trans | 49.8 | 122.4 | 142.2 | -63.3 | -34.5 | 0 | 0 | 0 | 123.5 | ||||
| 825 | N | 28.2 | Very low | 30.1 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | 83.7 | 125.2 | 62.6 | -80.3 | -51.1 | 0 | 0 | 0 | 115.6 | |||||
| 826 | N | 37 | Very low | 30.3 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 88% | 0.882 | 72% | 0.724 | S | S | * | * | trans | -176.3 | 161.8 | 138.5 | -103.3 | -65 | 0 | 0 | 0 | 113.9 | ||||
| 827 | E | 25.6 | Very low | 30.2 | Very low | 164 Ų | 164 | 141.5 Ų | 141.5 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | trans | -109.1 | 164.8 | -165.8 | -47.3 | 162.7 | 127.4 | 0 | 0 | 113.8 | ||||
| 828 | H | 34.6 | Very low | 30.3 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | 175.7 | 131.5 | 131.9 | -101.4 | 54.7 | 0 | 0 | 0 | 115.8 | ||||
| 829 | N | 30 | Very low | 30.1 | Very low | 119 Ų | 119 | 144 Ų | 144 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | 40.2 | 150.2 | 128 | -60.1 | 1.5 | 0 | 0 | 0 | 122.3 | |||||
| 830 | N | 33.6 | Very low | 30.4 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | cis | -170.1 | 172.1 | -2.6 | -104.9 | 1.4 | 0 | 0 | 0 | 111.6 | ||||
| 831 | N | 29 | Very low | 30.3 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | trans | 16 | 146.1 | 144.4 | -59.3 | 103 | 0 | 0 | 0 | 121.6 | ||||
| 832 | D | 34.3 | Very low | 30.2 | Very low | 135 Ų | 135 | 148.3 Ų | 148.3 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | cis | -158.4 | 151.3 | -5.4 | -82.3 | -26.9 | 0 | 0 | 0 | 106.4 | ||||
| 833 | D | 30.2 | Very low | 30.1 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 77% | 0.77 | 75% | 0.747 | S | S | * | * | 67 | 112.8 | 66 | -149.2 | 28.5 | 0 | 0 | 0 | 116.2 | |||||
| 834 | Y | 33.6 | Very low | 29.8 | Very low | 226 Ų | 226 | 145.4 Ų | 145.4 | 89% | 0.886 | 76% | 0.759 | S | S | * | * | trans | 175 | 160 | 156 | -106.9 | -64.5 | 0 | 0 | 0 | 114.2 | ||||
| 835 | D | 29.4 | Very low | 29.6 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | -103.5 | 161.1 | -156.7 | -38.3 | -97.3 | 0 | 0 | 0 | 119.4 | ||||
| 836 | D | 28.9 | Very low | 29.4 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | 56.6 | 150.4 | 135.2 | -82.3 | -22.7 | 0 | 0 | 0 | 126.8 | ||||
| 837 | E | 26.5 | Very low | 28.7 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | 52.7 | 120.1 | 166.4 | -68.4 | -162.6 | 175.2 | 0 | 0 | 121.7 | ||||
| 838 | V | 32.1 | Very low | 28.7 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | -172.9 | 140.9 | 112.3 | 143.4 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 839 | D | 26.5 | Very low | 28.1 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -60.7 | 131.2 | 176.2 | -90.6 | -54.8 | 0 | 0 | 0 | 113.7 | ||||
| 840 | H | 34.5 | Very low | 27.8 | Very low | 186 Ų | 186 | 149.7 Ų | 149.7 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | -138 | 117.7 | 150.2 | -107.1 | -65.6 | 0 | 0 | 0 | 114.2 | ||||
| 841 | N | 25.3 | Very low | 27.2 | Very low | 139 Ų | 139 | 155 Ų | 155 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -65.3 | 158.6 | -174 | -169 | 4.8 | 0 | 0 | 0 | 115.2 | ||||
| 842 | L | 26.1 | Very low | 27 | Very low | 140 Ų | 140 | 155 Ų | 155 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 100.1 | 126.2 | 159.1 | -59.4 | 173.9 | 0 | 0 | 0 | 121.4 | ||||
| 843 | D | 25.1 | Very low | 26.4 | Very low | 104 Ų | 104 | 153.5 Ų | 153.5 | 56% | 0.556 | 79% | 0.792 | S | S | * | * | trans | 62.6 | 73.8 | 144.3 | -78.5 | 28.5 | 0 | 0 | 0 | 121 | K845 | D843-K845 PolarHBondContact O-N 2.84Å; D843-K845 IonicContact OD2-NZ 2.85Å; D843-K845 PolarHBondContact OD2-NZ 3.21Å | ||
| 844 | A | 24.8 | Very low | 26.1 | Very low | 114 Ų | 114 | 153.1 Ų | 153.1 | 94% | 0.942 | 79% | 0.794 | S | S | * | * | trans | -64 | 73.7 | 148.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S846 | A844-S846 PolarHBondContact O-N 2.86Š| ||
| 845 | K | 27.1 | Very low | 25.5 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | trans | -81.4 | 108.3 | 177.8 | -100.2 | -168.3 | 177.6 | 83 | 0 | 112.6 | D843 | D843-K845 PolarHBondContact O-N 2.84Å; D843-K845 IonicContact OD2-NZ 2.85Å; D843-K845 PolarHBondContact OD2-NZ 3.21Å | ||
| 846 | S | 23.1 | Very low | 25.2 | Very low | 94 Ų | 94 | 148.6 Ų | 148.6 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | 20.3 | 112.3 | 146.5 | -170.4 | 0 | 0 | 0 | 0 | 117.8 | A844 T848 | A844-S846 PolarHBondContact O-N 2.86Å; S846-T848 PolarHBondContact O-N 2.74Å | ||
| 847 | R | 23 | Very low | 25 | Very low | 243 Ų | 243 | 147.3 Ų | 147.3 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | -67.2 | 87.9 | 164.2 | -72.5 | 177 | 171.8 | 170.1 | -3.8 | 110.4 | I849 | R847-I849 PolarHBondContact O-N 2.68Š| ||
| 848 | T | 24.8 | Very low | 24.8 | Very low | 115 Ų | 115 | 143.5 Ų | 143.5 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -67.4 | 98.1 | 166.6 | 46.7 | 0 | 0 | 0 | 0 | 110 | S846 H850 | S846-T848 PolarHBondContact O-N 2.74Å; T848-H850 PolarHBondContact O-N 3.25Å | ||
| 849 | I | 23.1 | Very low | 24.5 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -60.1 | 124.3 | 176.3 | -66.6 | 173.5 | 0 | 0 | 0 | 109.4 | R847 R851 | R847-I849 PolarHBondContact O-N 2.68Å; I849-R851 PolarHBondContact O-N 3.32Å | ||
| 850 | H | 23.9 | Very low | 24.3 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | trans | -67.4 | 99.2 | -178 | -83.6 | -115.4 | 0 | 0 | 0 | 111.8 | T848 T852 | T848-H850 PolarHBondContact O-N 3.25Å; H850-T852 VanDerWaalsContact C-N 3.27Å; H850-T852 PolarHBondContact O-N 3.04Å | ||
| 851 | R | 20.9 | Very low | 23.8 | Very low | 236 Ų | 236 | 142.7 Ų | 142.7 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -82.7 | 76.7 | 164.7 | -152.9 | 168.7 | -164.2 | 148.8 | 3.3 | 110.7 | I849 | I849-R851 PolarHBondContact O-N 3.32Š| ||
| 852 | T | 23 | Very low | 23.8 | Very low | 119 Ų | 119 | 141 Ų | 141 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | 29.3 | 98.6 | 154.2 | 52.8 | 0 | 0 | 0 | 0 | 116.7 | H850 | H850-T852 VanDerWaalsContact C-N 3.27Å; H850-T852 PolarHBondContact O-N 3.04Å | ||
| 853 | A | 23.6 | Very low | 23.7 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -61.8 | 137.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 854 | V | 22 | Very low | 23.6 | Very low | 135 Ų | 135 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -68.5 | 139.6 | 177.4 | 174 | 0 | 0 | 0 | 0 | 110.4 | V856 | V854-V856 PolarHBondContact O-N 2.91Š| ||
| 855 | V | 22.1 | Very low | 23.6 | Very low | 125 Ų | 125 | 146 Ų | 146 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | trans | -59.4 | 106.6 | -179 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | V857 | V855-V857 HydrophobicContact CG1-CG2 4.27Å; V855-V857 PolarHBondContact O-N 3.48Å | ||
| 856 | V | 22.3 | Very low | 23.5 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | trans | -80.9 | 110 | 160.2 | 177.3 | 0 | 0 | 0 | 0 | 107.6 | V854 S858 | V854-V856 PolarHBondContact O-N 2.91Å; V856-S858 PolarHBondContact O-N 2.88Å | ||
| 857 | V | 24.4 | Very low | 23.5 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | trans | -64.6 | 108.5 | 179.9 | 177.4 | 0 | 0 | 0 | 0 | 109.6 | V855 G859 | V855-V857 HydrophobicContact CG1-CG2 4.27Å; V855-V857 PolarHBondContact O-N 3.48Å; V857-G859 PolarHBondContact O-N 2.91Å | ||
| 858 | S | 23.3 | Very low | 23.7 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -83.6 | 82.5 | -173.4 | 46 | 0 | 0 | 0 | 0 | 111.9 | V856 K860 | V856-S858 PolarHBondContact O-N 2.88Å; S858-K860 VanDerWaalsContact C-N 3.3Å; S858-K860 PolarHBondContact O-N 3.43Å | ||
| 859 | G | 25.9 | Very low | 23.6 | Very low | 84 Ų | 84 | 143.9 Ų | 143.9 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -64.9 | 78.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | V857 | V857-G859 PolarHBondContact O-N 2.91Š| ||
| 860 | K | 23 | Very low | 23.6 | Very low | 188 Ų | 188 | 145 Ų | 145 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | trans | -85.7 | 114.1 | 167.3 | -75.3 | -179.4 | 175.3 | 177.5 | 0 | 110 | S858 | S858-K860 VanDerWaalsContact C-N 3.3Å; S858-K860 PolarHBondContact O-N 3.43Å | ||
| 861 | H | 23.9 | Very low | 23.6 | Very low | 185 Ų | 185 | 141 Ų | 141 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -151.9 | 111 | 149.5 | -128.8 | -88.9 | 0 | 0 | 0 | 115 | ||||
| 862 | N | 23.7 | Very low | 24 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 55% | 0.551 | 79% | 0.787 | S | S | * | * | trans | 44.1 | 105.8 | 150.5 | -157.9 | 16.8 | 0 | 0 | 0 | 121.6 | Q864 | N862-Q864 WeakPolarHBondContact OD1-CG 3.27Š| ||
| 863 | P | 23.7 | Very low | 23.8 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 84% | 0.844 | 79% | 0.792 | S | S | * | * | trans | -95.1 | 86.7 | 167.5 | 36.1 | -29.8 | 0 | 0 | 0 | 112.5 | ||||
| 864 | Q | 23.6 | Very low | 23.9 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -147.6 | 91.6 | 175.3 | -70.9 | -173.3 | -4.1 | 0 | 0 | 113.8 | N862 | N862-Q864 WeakPolarHBondContact OD1-CG 3.27Š| ||
| 865 | H | 24.4 | Very low | 24.2 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | -168.7 | 154.7 | 141.5 | -136 | -136.8 | 0 | 0 | 0 | 115.7 | ||||
| 866 | L | 26.3 | Very low | 24.3 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 65% | 0.654 | 79% | 0.791 | S | S | * | * | trans | 45.9 | 75.7 | 158 | -78.9 | 169.9 | 0 | 0 | 0 | 119.8 | L868 | L866-L868 HydrophobicContact CD2-CD1 4.35Š| ||
| 867 | Q | 23.3 | Very low | 24.5 | Very low | 189 Ų | 189 | 151.6 Ų | 151.6 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -46 | 122.8 | 133.6 | 173.6 | -175.1 | 16.3 | 0 | 0 | 112.2 | ||||
| 868 | L | 26.9 | Very low | 24.6 | Very low | 142 Ų | 142 | 152 Ų | 152 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -162.1 | 145 | 159.7 | -116.4 | 170.9 | 0 | 0 | 0 | 112.2 | L866 | L866-L868 HydrophobicContact CD2-CD1 4.35Š| ||
| 869 | C | 23.4 | Very low | 24.7 | Very low | 117 Ų | 117 | 151.6 Ų | 151.6 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 58.3 | 58.6 | 170.5 | -70.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 870 | E | 21.8 | Very low | 24.5 | Very low | 185 Ų | 185 | 154 Ų | 154 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | -66.1 | 131.4 | 127.5 | -67.9 | -170.7 | 136.6 | 0 | 0 | 108.7 | |||||
| 871 | S | 24.3 | Very low | 24.5 | Very low | 98 Ų | 98 | 155.1 Ų | 155.1 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | trans | 160.4 | 88.2 | 141.3 | -78.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 872 | Q | 28.1 | Very low | 24.4 | Very low | 207 Ų | 207 | 151.8 Ų | 151.8 | 97% | 0.967 | 77% | 0.767 | S | S | * | * | trans | -144.6 | 130.8 | 137.2 | -117.9 | 161.8 | 1.4 | 0 | 0 | 109.8 | ||||
| 873 | R | 20.5 | Very low | 24.3 | Very low | 217 Ų | 217 | 153.5 Ų | 153.5 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | trans | -115.9 | 167.4 | -165.5 | -59.8 | 174.8 | 175.3 | 169.1 | -3.9 | 110.2 | ||||
| 874 | K | 24.4 | Very low | 24.3 | Very low | 194 Ų | 194 | 155.1 Ų | 155.1 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 69.8 | 99.4 | 163.9 | -54.5 | 176.2 | 177.9 | -177.3 | 0 | 115.8 | ||||
| 875 | L | 29.5 | Very low | 24.2 | Very low | 161 Ų | 161 | 153.9 Ų | 153.9 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | -157.4 | 97.2 | 111.2 | -103.5 | 164.9 | 0 | 0 | 0 | 109.5 | |||||
| 876 | Q | 24.1 | Very low | 24.2 | Very low | 156 Ų | 156 | 150.3 Ų | 150.3 | 73% | 0.729 | 76% | 0.764 | S | S | * | * | 50 | 145.6 | 120.1 | -154.2 | 153.7 | -15.5 | 0 | 0 | 120.9 | |||||
| 877 | D | 27 | Very low | 24.1 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 64.1 | 85.5 | 172.3 | -57.7 | -19.4 | 0 | 0 | 0 | 115.9 | ||||
| 878 | N | 25.2 | Very low | 24.3 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | cis | 91.2 | 147.7 | 40.9 | -161.2 | 17.3 | 0 | 0 | 0 | 113.9 | ||||
| 879 | S | 25.5 | Very low | 24.5 | Very low | 93 Ų | 93 | 144.7 Ų | 144.7 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | 52.6 | 100 | 177.2 | 46.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 880 | N | 22.8 | Very low | 24.7 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | 71.4 | 137.8 | 64.9 | -74.3 | -54.1 | 0 | 0 | 0 | 116.1 | |||||
| 881 | R | 21.4 | Very low | 24.9 | Very low | 213 Ų | 213 | 138.8 Ų | 138.8 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 56.1 | 91.8 | 138.2 | -69.5 | 177.9 | -178.9 | -178.6 | -1.5 | 116.3 | ||||
| 882 | T | 21.9 | Very low | 24.9 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | 68.9 | 126.8 | 91.7 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 883 | I | 21.9 | Very low | 24.7 | Very low | 139 Ų | 139 | 134 Ų | 134 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | trans | 50.9 | 96.3 | 138.5 | -50.8 | 163.8 | 0 | 0 | 0 | 114.6 | ||||
| 884 | H | 23.2 | Very low | 25.1 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | -147 | 132.9 | 121.2 | -100 | -65.3 | 0 | 0 | 0 | 110.9 | |||||
| 885 | N | 23.1 | Very low | 25 | Very low | 131 Ų | 131 | 127.3 Ų | 127.3 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | trans | 31.6 | 126.7 | 142.3 | -50.4 | -11 | 0 | 0 | 0 | 117.1 | ||||
| 886 | S | 23.5 | Very low | 24.6 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | 178.9 | 178 | 72.3 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 887 | I | 24.4 | Very low | 24.5 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 83% | 0.831 | 67% | 0.674 | S | S | * | * | trans | 78.3 | 104.9 | 163.3 | -57.6 | 156 | 0 | 0 | 0 | 117.1 | ||||
| 888 | S | 26.5 | Very low | 24.3 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 66% | 0.664 | 67% | 0.67 | S | S | * | * | trans | -93.6 | -153.3 | 166.9 | 57 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 889 | P | 32.9 | Very low | 24.1 | Very low | 81 Ų | 81 | 127.7 Ų | 127.7 | 53% | 0.526 | 67% | 0.673 | S | S | . | * | -135.7 | 146.8 | -52.4 | 29.1 | -10 | 0 | 0 | 0 | 115.8 | |||||
| 890 | S | 26.7 | Very low | 23.9 | Very low | 65 Ų | 65 | 127.7 Ų | 127.7 | 46% | 0.455 | 67% | 0.672 | S | S | . | * | trans | -170.8 | 146 | 154.3 | 61.6 | 0 | 0 | 0 | 0 | 115.6 | R1244 I1245 | S890-R1244 VanDerWaalsContact C-NE 3.26Å; S890-R1244 CarbonylContact O-C 3.34Å; S890-R1244 WeakPolarHBondContact O-CA 3.39Å; S890-R1244 WeakPolarHBondContact O-CB 3.48Å; S890-R1244 WeakPolarHBondContact O-CG 3.49Å; S890-I1245 VanDerWaalsContact N-CD1 3.25Å; S890-I1245 PolarHBondContact O-N 3.3Å; S890-I1245 WeakPolarHBondContact OG-CD1 3.42Å; S890-I1245 WeakPolarHBondContact OG-CG1 3.34Å | ||
| 891 | N | 25.3 | Very low | 23.9 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 60% | 0.604 | 67% | 0.672 | S | S | * | * | trans | -42 | 147.5 | -163.8 | -75.7 | -15.2 | 0 | 0 | 0 | 119.9 | R1244 | N891-R1244 VanDerWaalsContact C-CA 3.46Å; N891-R1244 WeakPolarHBondContact O-CA 3.45Å; N891-R1244 PolarHBondContact O-N 2.85Å; N891-R1244 PolarHBondContact OD1-NH2 2.91Å | ||
| 892 | I | 24.9 | Very low | 24 | Very low | 83 Ų | 83 | 120 Ų | 120 | 43% | 0.426 | 67% | 0.667 | S | S | . | * | 66.9 | 125.7 | 57.6 | -55.6 | -174.8 | 0 | 0 | 0 | 112.1 | R1244 | I892-R1244 HydrophobicContact CG1-CB 3.88Š| |||
| 893 | K | 23.4 | Very low | 24.1 | Very low | 121 Ų | 121 | 122.4 Ų | 122.4 | 53% | 0.526 | 67% | 0.667 | S | S | . | * | trans | -42.5 | 163 | 172.9 | -61.5 | 167.7 | 176.1 | 171.9 | 0 | 114.9 | S1241 | K893-S1241 WeakPolarHBondContact CE-O 3.4Å; K893-S1241 PolarHBondContact NZ-O 3.31Å | ||
| 894 | P | 29.4 | Very low | 24.1 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 67% | 0.669 | 67% | 0.667 | S | S | * | * | cis | -137 | -147.5 | -37.5 | 37.8 | -17.1 | 0 | 0 | 0 | 110.9 | ||||
| 895 | E | 21.5 | Very low | 24.2 | Very low | 167 Ų | 167 | 124 Ų | 124 | 78% | 0.78 | 66% | 0.662 | S | S | * | * | trans | 80.2 | 147.3 | 170.8 | -49.9 | -164 | 167.7 | 0 | 0 | 118.3 | ||||
| 896 | Y | 22.6 | Very low | 24.1 | Very low | 199 Ų | 199 | 123.3 Ų | 123.3 | 78% | 0.78 | 66% | 0.659 | S | S | * | * | trans | 61.7 | 137.9 | -173.6 | -76.2 | -107.3 | 0 | 0 | 0 | 115 | ||||
| 897 | I | 21.4 | Very low | 24.3 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 67% | 0.667 | 67% | 0.667 | S | S | * | * | cis | 69.4 | 122.9 | 48.1 | -68.6 | 176.7 | 0 | 0 | 0 | 110.6 | ||||
| 898 | N | 22.7 | Very low | 24.3 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 66% | 0.658 | 67% | 0.667 | S | S | * | * | cis | -166.9 | 160.9 | -4.3 | -124 | -13 | 0 | 0 | 0 | 110.3 | ||||
| 899 | L | 20.5 | Very low | 24.4 | Very low | 150 Ų | 150 | 125.5 Ų | 125.5 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | trans | 58.8 | 162.4 | 159 | -86.9 | 67.9 | 0 | 0 | 0 | 115.1 | ||||
| 900 | S | 22.1 | Very low | 24.1 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | cis | -149.5 | 156.4 | -28.8 | 59.4 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 901 | S | 23.7 | Very low | 24 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 70% | 0.698 | S | S | * | * | 166.8 | 162.8 | 75.4 | -105.5 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 902 | A | 23.5 | Very low | 24 | Very low | 83 Ų | 83 | 131.9 Ų | 131.9 | 69% | 0.686 | 70% | 0.696 | S | S | * | * | trans | 69 | 147.7 | 151.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 903 | K | 23.8 | Very low | 23.9 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | cis | -164.2 | 150.7 | -12.8 | -114.9 | 162.3 | -165.4 | 162.8 | 0 | 107.9 | ||||
| 904 | R | 22.1 | Very low | 24.2 | Very low | 187 Ų | 187 | 139.4 Ų | 139.4 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | trans | 71.5 | 153.7 | 147.4 | -67.5 | 167.9 | 173.8 | 177.6 | -4.7 | 116.6 | ||||
| 905 | F | 24.5 | Very low | 23.8 | Very low | 150 Ų | 150 | 139.1 Ų | 139.1 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | cis | -149.5 | 148 | -7 | -117.1 | -32.6 | 0 | 0 | 0 | 113.2 | ||||
| 906 | N | 21.6 | Very low | 23.9 | Very low | 118 Ų | 118 | 136 Ų | 136 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | trans | 21 | 126.6 | 142.4 | -63.2 | -11.6 | 0 | 0 | 0 | 120.6 | ||||
| 907 | A | 27.3 | Very low | 24.1 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | -140.5 | 120.7 | 121 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 908 | K | 23.4 | Very low | 24.1 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | trans | -77.6 | 141.9 | -171.4 | -55.6 | 155.2 | 173.1 | 175.7 | 0 | 113.2 | ||||
| 909 | S | 29.4 | Very low | 24.2 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -153.4 | 120.9 | 134.6 | 40.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 910 | Q | 26.5 | Very low | 24.6 | Very low | 173 Ų | 173 | 136 Ų | 136 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | 62.5 | 129.9 | 81.7 | -68 | -167.2 | -3 | 0 | 0 | 112.6 | |||||
| 911 | L | 23.8 | Very low | 24.7 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | cis | -156.2 | 172.3 | 6.6 | -122.9 | 167.7 | 0 | 0 | 0 | 111 | ||||
| 912 | S | 25 | Very low | 24.8 | Very low | 82 Ų | 82 | 137.3 Ų | 137.3 | 57% | 0.573 | 77% | 0.771 | S | S | * | * | trans | 14.9 | 149.8 | 154.1 | 56.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 913 | E | 24.6 | Very low | 25.1 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | cis | -171.6 | 134.6 | -6.2 | -108.3 | 166.3 | 148.8 | 0 | 0 | 106.1 | ||||
| 914 | L | 28.8 | Very low | 25.3 | Very low | 180 Ų | 180 | 141 Ų | 141 | 94% | 0.942 | 79% | 0.789 | S | S | * | * | trans | -167.1 | 142.7 | 153.6 | -112.9 | 167.4 | 0 | 0 | 0 | 109.9 | ||||
| 915 | S | 21.7 | Very low | 25.4 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | -108.4 | 153.9 | -160.6 | 49.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 916 | S | 22 | Very low | 25.5 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | 46.4 | 93.7 | 147.6 | 58.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 917 | Q | 26.8 | Very low | 25.9 | Very low | 203 Ų | 203 | 137.7 Ų | 137.7 | 95% | 0.949 | 81% | 0.806 | S | S | * | * | trans | -147.8 | 159.1 | 130.6 | -121.2 | 161.6 | 86.4 | 0 | 0 | 111.4 | ||||
| 918 | S | 23 | Very low | 25.6 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -95.5 | 144.2 | -151.8 | 43 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 919 | L | 23.4 | Very low | 25.5 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | trans | -116.2 | 119.3 | 160.8 | -82 | 170.7 | 0 | 0 | 0 | 109.6 | ||||
| 920 | P | 29.3 | Very low | 25.1 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -86.1 | 144.8 | 152.4 | 33.6 | -28.9 | 0 | 0 | 0 | 109.9 | ||||
| 921 | A | 24.7 | Very low | 24.9 | Very low | 89 Ų | 89 | 134 Ų | 134 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -134.1 | -178.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 922 | S | 25.9 | Very low | 24.8 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 92% | 0.923 | 79% | 0.791 | S | S | * | * | trans | 77.3 | 138 | 167.8 | -56.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 923 | G | 29.7 | Very low | 24.7 | Very low | 85 Ų | 85 | 137.5 Ų | 137.5 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | 167.4 | 52.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 924 | R | 27.5 | Very low | 24.5 | Very low | 239 Ų | 239 | 133.3 Ų | 133.3 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -157.8 | 126.4 | 163.7 | -173.9 | -177.2 | -174.1 | -164.6 | 1.9 | 111.7 | ||||
| 925 | L | 25.2 | Very low | 24.5 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -178.8 | 155 | 143 | -102.2 | 168.1 | 0 | 0 | 0 | 112.1 | ||||
| 926 | S | 26.1 | Very low | 24.7 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | 32 | 124.9 | 158.3 | 55.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 927 | P | 30.2 | Very low | 25.3 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -101.8 | 139.9 | 165.1 | 36.8 | -29 | 0 | 0 | 0 | 113.5 | ||||
| 928 | T | 21.5 | Very low | 25.3 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | trans | -149.4 | 135 | 167.7 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 929 | S | 19.9 | Very low | 25.3 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | 62.3 | 118.3 | 149 | -144.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 930 | S | 20.9 | Very low | 25.3 | Very low | 86 Ų | 86 | 128.1 Ų | 128.1 | 60% | 0.601 | 78% | 0.778 | S | S | * | * | 40.7 | 134.1 | 124 | 103.9 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 931 | K | 22.3 | Very low | 25 | Very low | 171 Ų | 171 | 129.8 Ų | 129.8 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | 175.7 | 152.2 | 56.4 | -119.9 | 161.8 | -174.3 | 176.6 | 0 | 108.1 | |||||
| 932 | I | 21.8 | Very low | 25 | Very low | 145 Ų | 145 | 131 Ų | 131 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | 69.3 | 145.1 | 143.8 | -67.4 | 169 | 0 | 0 | 0 | 114.9 | ||||
| 933 | L | 22.4 | Very low | 24.8 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | cis | -143.1 | 152.5 | 10.5 | -132.7 | 151.7 | 0 | 0 | 0 | 110.5 | ||||
| 934 | S | 21.5 | Very low | 24.5 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | 22.5 | 126.9 | 155.7 | 61.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 935 | S | 28.6 | Very low | 24.2 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | -168.4 | 92.4 | 109.7 | 23.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 936 | D | 25.5 | Very low | 24.2 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | -80.2 | 171.1 | 157.5 | -81.6 | -51.2 | 0 | 0 | 0 | 110.2 | ||||
| 937 | P | 34.8 | Very low | 24.1 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | cis | -137.3 | 151.7 | -34 | 34.8 | -18.5 | 0 | 0 | 0 | 114.1 | ||||
| 938 | S | 26.4 | Very low | 23.8 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | trans | -151.5 | 119.6 | 144.8 | 51.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 939 | S | 22.6 | Very low | 23.8 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | cis | 90.8 | 135.1 | 39.8 | 82.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 940 | I | 25.1 | Very low | 23.7 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | 78.2 | 102.7 | 172.9 | -54 | 175.5 | 0 | 0 | 0 | 116.2 | I942 | I940-I942 HydrophobicContact CG2-CD1 4.27Å; I940-I942 HydrophobicContact CG2-CG1 3.8Å | ||
| 941 | E | 22.3 | Very low | 23.8 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -63.7 | 134.5 | 153.7 | -61.1 | 163.7 | 99.3 | 0 | 0 | 110.2 | A1818 | E941-A1818 VanDerWaalsContact OE2-CB 3.31Å; E941-A1818 WeakPolarHBondContact OE2-CB 3.47Å | ||
| 942 | I | 24.1 | Very low | 23.8 | Very low | 115 Ų | 115 | 137 Ų | 137 | 59% | 0.59 | 76% | 0.762 | S | S | * | * | trans | -133.6 | 104.9 | 152.7 | -58.7 | -175.1 | 0 | 0 | 0 | 109.5 | I940 K944 | I940-I942 HydrophobicContact CG2-CD1 4.27Å; I940-I942 HydrophobicContact CG2-CG1 3.8Å; I942-K944 VanDerWaalsContact C-N 3.27Å; I942-K944 HydrophobicContact CG2-CB 4.06Å; I942-K944 HydrophobicContact CG2-CD 3.87Å; I942-K944 HydrophobicContact CG2-CG 3.64Å; I942-K944 PolarHBondContact O-N 2.88Å | ||
| 943 | A | 22.3 | Very low | 23.8 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -69.1 | 85.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V945 | A943-V945 PolarHBondContact O-N 3.23Š| ||
| 944 | K | 23.1 | Very low | 23.7 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | -88.5 | 100.1 | 173.9 | -109.8 | 166.1 | -174.5 | 173.9 | 0 | 109.8 | I942 Y946 | I942-K944 VanDerWaalsContact C-N 3.27Å; I942-K944 HydrophobicContact CG2-CB 4.06Å; I942-K944 HydrophobicContact CG2-CD 3.87Å; I942-K944 HydrophobicContact CG2-CG 3.64Å; I942-K944 PolarHBondContact O-N 2.88Å; K944-Y946 PolarHBondContact O-N 3.33Å | ||
| 945 | V | 22.4 | Very low | 23.6 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | trans | -53.7 | 118.5 | 167 | 175.6 | 0 | 0 | 0 | 0 | 108.6 | A943 P947 | A943-V945 PolarHBondContact O-N 3.23Å; V945-P947 VanDerWaalsContact O-CD 3.29Å; V945-P947 WeakPolarHBondContact O-CD 3.47Å | ||
| 946 | Y | 24.1 | Very low | 23.3 | Very low | 221 Ų | 221 | 138.8 Ų | 138.8 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | -70.9 | 118.3 | 173.4 | -104.6 | -87.7 | 0 | 0 | 0 | 109.8 | K944 L948 | K944-Y946 PolarHBondContact O-N 3.33Å; Y946-L948 PolarHBondContact O-N 3.05Å | ||
| 947 | P | 23.9 | Very low | 23 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | trans | -89.2 | 95 | 179.6 | 34 | -29.5 | 0 | 0 | 0 | 110.2 | V945 R949 | V945-P947 VanDerWaalsContact O-CD 3.29Å; V945-P947 WeakPolarHBondContact O-CD 3.47Å; P947-R949 VanDerWaalsContact O-CB 3.25Å; P947-R949 WeakPolarHBondContact O-CB 3.5Å; P947-R949 PolarHBondContact O-N 3Å | ||
| 948 | L | 24.3 | Very low | 22.5 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 91% | 0.906 | 75% | 0.746 | S | S | * | * | trans | -71.9 | 96 | 145.6 | -67.1 | 176 | 0 | 0 | 0 | 105.1 | Y946 | Y946-L948 PolarHBondContact O-N 3.05Š| ||
| 949 | R | 20.5 | Very low | 22.2 | Very low | 211 Ų | 211 | 133.2 Ų | 133.2 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | 48.6 | 84.8 | 56 | -89 | -158.4 | 168.4 | -156.7 | -1.3 | 113 | P947 | P947-R949 VanDerWaalsContact O-CB 3.25Å; P947-R949 WeakPolarHBondContact O-CB 3.5Å; P947-R949 PolarHBondContact O-N 3Å | |||
| 950 | S | 19 | Very low | 22.3 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | 37.2 | 105.1 | 113.8 | 64.8 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 951 | S | 23.2 | Very low | 22.1 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | -163 | 151 | 126.7 | 38.6 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 952 | L | 21.9 | Very low | 22.2 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | 29.7 | 119.9 | 150.3 | -79.4 | 55.9 | 0 | 0 | 0 | 117.6 | ||||
| 953 | C | 22.1 | Very low | 22 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 72% | 0.716 | 75% | 0.754 | S | S | * | * | cis | -160.8 | 147.8 | 35 | -105.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 954 | M | 20.1 | Very low | 22.5 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 77% | 0.768 | 75% | 0.747 | S | S | * | * | trans | 52.8 | 89 | 140.3 | -60.2 | -72.6 | 87.9 | 0 | 0 | 120.2 | ||||
| 955 | S | 19.5 | Very low | 22.4 | Very low | 84 Ų | 84 | 133 Ų | 133 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | 33.8 | 110.9 | 116.3 | 61.3 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 956 | K | 21.4 | Very low | 22.4 | Very low | 201 Ų | 201 | 131 Ų | 131 | 87% | 0.874 | 74% | 0.738 | S | S | * | * | -142.4 | 134.3 | 105.4 | -95.9 | -176.9 | -178.1 | -179.8 | 0 | 107.2 | |||||
| 957 | S | 19.9 | Very low | 22.4 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | cis | 60.1 | 124.4 | 18.1 | 73.8 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 958 | G | 24.2 | Very low | 22.3 | Very low | 65 Ų | 65 | 131.7 Ų | 131.7 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | trans | 86.9 | 85.6 | -148 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 959 | S | 21.2 | Very low | 22.3 | Very low | 104 Ų | 104 | 129.5 Ų | 129.5 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | cis | 58.2 | 85.8 | 24.1 | 76.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 960 | N | 23.2 | Very low | 23.1 | Very low | 153 Ų | 153 | 125 Ų | 125 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | trans | -178.6 | 113.1 | 139.8 | -86.6 | 2.1 | 0 | 0 | 0 | 104.6 | ||||
| 961 | S | 22.1 | Very low | 23.3 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | 91.4 | 140.8 | 53.9 | 84.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 962 | E | 23 | Very low | 23.4 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | 44.4 | 103.5 | 163.4 | -63.1 | 101.5 | -152.3 | 0 | 0 | 121.7 | ||||
| 963 | E | 20.8 | Very low | 23.4 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | 58.5 | -157 | 127.5 | -57 | -159.9 | 134.3 | 0 | 0 | 118 | |||||
| 964 | P | 32.2 | Very low | 23.7 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | -112 | 174 | -84.3 | 32.6 | -23.5 | 0 | 0 | 0 | 116.2 | |||||
| 965 | S | 21.2 | Very low | 23.8 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -22.4 | 133.3 | 172.7 | 54.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 966 | S | 22.8 | Very low | 24 | Very low | 89 Ų | 89 | 145.7 Ų | 145.7 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | trans | 64.1 | 88.1 | 138.8 | 63.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 967 | F | 23.5 | Very low | 24.3 | Very low | 210 Ų | 210 | 140 Ų | 140 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | trans | -114.2 | 118.7 | 134 | -84.1 | -97.9 | 0 | 0 | 0 | 107.4 | ||||
| 968 | N | 21.4 | Very low | 24.9 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 66% | 0.658 | 76% | 0.759 | S | S | * | * | cis | 68.1 | 78.9 | 48 | -80.1 | -29.9 | 0 | 0 | 0 | 116.4 | ||||
| 969 | T | 24.5 | Very low | 25.1 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | 71 | 176.1 | 142.2 | 72.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 970 | P | 38.5 | Very low | 25.1 | Very low | 115 Ų | 115 | 151 Ų | 151 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | -130.3 | 165.4 | -60 | 35.2 | -21.1 | 0 | 0 | 0 | 112.9 | |||||
| 971 | R | 23.3 | Very low | 25.4 | Very low | 213 Ų | 213 | 152.3 Ų | 152.3 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -114.7 | 112.8 | 165.3 | -112.6 | -173.8 | -178.2 | -174 | 3 | 113.7 | ||||
| 972 | R | 24.1 | Very low | 25.5 | Very low | 207 Ų | 207 | 152.8 Ų | 152.8 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | 58.5 | 95.8 | 143.7 | -66 | 173.4 | -179.1 | 176.9 | -2.7 | 118.3 | ||||
| 973 | K | 21.9 | Very low | 25.5 | Very low | 187 Ų | 187 | 151.3 Ų | 151.3 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 147.1 | 143.7 | -54.1 | 175.8 | 176.9 | -177.6 | 0 | 110.2 | ||
| 974 | P | 28.7 | Very low | 25.8 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 132.9 | 140.3 | -6.4 | 24 | 0 | 0 | 0 | 108.5 | ||
| 975 | R | 23.3 | Very low | 25.3 | Very low | 229 Ų | 229 | 150.2 Ų | 150.2 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 125.2 | 163.2 | -92 | 179.5 | 164.3 | 169.1 | -5.3 | 108 | ||
| 976 | L | 23.7 | Very low | 25.5 | Very low | 182 Ų | 182 | 152.9 Ų | 152.9 | 95% | 0.953 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 158.9 | 137.9 | -91.2 | 165.7 | 0 | 0 | 0 | 108.2 | ||
| 977 | A | 27.3 | Very low | 25.6 | Very low | 81 Ų | 81 | 155.6 Ų | 155.6 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | trans | -136.6 | -156.1 | -161 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 978 | P | 32.5 | Very low | 25.4 | Very low | 111 Ų | 111 | 157.2 Ų | 157.2 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | -133.4 | 139.4 | -99.1 | 38.7 | -21.3 | 0 | 0 | 0 | 116 | |||||
| 979 | I | 27.2 | Very low | 25.4 | Very low | 159 Ų | 159 | 155.9 Ų | 155.9 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | -138 | 115.8 | 163.3 | -50.6 | -179.6 | 0 | 0 | 0 | 104.6 | ||||
| 980 | R | 22.6 | Very low | 25.3 | Very low | 226 Ų | 226 | 154.4 Ų | 154.4 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | 73.6 | 148.2 | 55.4 | -74.5 | -164.4 | 169.3 | -150.1 | -0.8 | 113.3 | |||||
| 981 | Q | 29.2 | Very low | 24.6 | Very low | 180 Ų | 180 | 158.1 Ų | 158.1 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | 63.3 | 111.2 | -173.6 | -65.6 | 163.5 | -32.8 | 0 | 0 | 112.6 | ||||
| 982 | S | 24.3 | Very low | 24.6 | Very low | 90 Ų | 90 | 153.9 Ų | 153.9 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | cis | 86.3 | 133 | 25.1 | 95.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 983 | D | 22.4 | Very low | 24.7 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | trans | 75.5 | 157.5 | 158.1 | -46.2 | -50.2 | 0 | 0 | 0 | 119.9 | ||||
| 984 | H | 27.6 | Very low | 24.7 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | 66.2 | 102.5 | -179.5 | -47.8 | -60.2 | 0 | 0 | 0 | 115.2 | ||||
| 985 | S | 21.6 | Very low | 24.4 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | cis | 60.8 | 100.2 | 40 | 98.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 986 | I | 25.7 | Very low | 24.6 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | trans | -150.8 | 125.5 | 142.5 | -96.7 | 139.8 | 0 | 0 | 0 | 107.6 | ||||
| 987 | L | 23.3 | Very low | 24.6 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | -90.1 | 108 | 165.3 | -81.9 | 160.2 | 0 | 0 | 0 | 107.6 | T989 | L987-T989 HydrophobicContact CB-CG2 3.92Å; L987-T989 HydrophobicContact CD2-CG2 3.89Å; L987-T989 HydrophobicContact CG-CG2 4.46Å; L987-T989 PolarHBondContact O-OG1 2.8Å; L987-T989 VanDerWaalsContact O-OG1 3.04Å | ||
| 988 | W | 21.4 | Very low | 24.4 | Very low | 243 Ų | 243 | 143.2 Ų | 143.2 | 92% | 0.92 | 74% | 0.736 | S | S | * | * | trans | -120 | 104.2 | 147.5 | -82.9 | 16.7 | 0 | 0 | 0 | 103.6 | ||||
| 989 | T | 21.2 | Very low | 23.9 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 59% | 0.589 | 73% | 0.731 | S | S | * | * | cis | 56.3 | 109.9 | 25.1 | 67.1 | 0 | 0 | 0 | 0 | 115.7 | L987 | L987-T989 HydrophobicContact CB-CG2 3.92Å; L987-T989 HydrophobicContact CD2-CG2 3.89Å; L987-T989 HydrophobicContact CG-CG2 4.46Å; L987-T989 PolarHBondContact O-OG1 2.8Å; L987-T989 VanDerWaalsContact O-OG1 3.04Å | ||
| 990 | S | 22 | Very low | 23.8 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | trans | 64 | 99.7 | 154.8 | -158.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 991 | Q | 24.1 | Very low | 23.8 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | -151.1 | 119.6 | 110.6 | -99.4 | 154.2 | 19.2 | 0 | 0 | 107.1 | |||||
| 992 | N | 22 | Very low | 24 | Very low | 125 Ų | 125 | 139 Ų | 139 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | cis | 68.6 | 87.3 | 38.1 | -165.9 | 29.1 | 0 | 0 | 0 | 113.5 | ||||
| 993 | Q | 27 | Very low | 24 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | trans | -162.6 | 115 | 146.4 | -82.6 | -120.8 | 17.1 | 0 | 0 | 104.6 | ||||
| 994 | N | 22.4 | Very low | 24.1 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | 75.9 | 137.2 | 95.5 | -73.2 | -22 | 0 | 0 | 0 | 113.5 | |||||
| 995 | S | 22.6 | Very low | 24 | Very low | 77 Ų | 77 | 137.2 Ų | 137.2 | 54% | 0.538 | 73% | 0.73 | S | S | . | * | cis | -173.6 | 177.1 | -10 | 38.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 996 | H | 26.8 | Very low | 24.2 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | trans | 79.8 | 115 | 170.6 | -53.6 | -58.4 | 0 | 0 | 0 | 115.4 | ||||
| 997 | L | 22.9 | Very low | 24.3 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | 69.5 | 133.3 | 83.2 | -63.2 | 173.6 | 0 | 0 | 0 | 111.5 | |||||
| 998 | N | 23.3 | Very low | 24.5 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | cis | -159.6 | 156.3 | 5.2 | -138 | -4.6 | 0 | 0 | 0 | 114.8 | ||||
| 999 | S | 22.1 | Very low | 24.5 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | trans | 74.4 | 145.7 | 140.2 | -147.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1000 | M | 24.6 | Very low | 24.5 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 88% | 0.877 | 74% | 0.744 | S | S | * | * | trans | 66.3 | 75.5 | 148.9 | -80.1 | 163.8 | 163.5 | 0 | 0 | 121.7 | ||||
| 1001 | Y | 23.3 | Very low | 24.8 | Very low | 219 Ų | 219 | 139 Ų | 139 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | -52.6 | 178.1 | 123 | -88.2 | -76 | 0 | 0 | 0 | 113.1 | |||||
| 1002 | P | 33.1 | Very low | 24.7 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | cis | -137.4 | -168.3 | -5.5 | 24.4 | 1.6 | 0 | 0 | 0 | 115.3 | ||||
| 1003 | S | 24.3 | Very low | 24.8 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | 79.7 | 158.8 | 149.9 | -10.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1004 | S | 24.5 | Very low | 24.6 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | -162.8 | 153.7 | -1.3 | 16.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1005 | L | 26.2 | Very low | 24.8 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | 62.3 | 105.3 | 142 | -63.3 | 165.1 | 0 | 0 | 0 | 122.4 | ||||
| 1006 | L | 25.4 | Very low | 24.8 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | 62.4 | 148.4 | 123.6 | -65.2 | 175.5 | 0 | 0 | 0 | 123.3 | |||||
| 1007 | P | 28.4 | Very low | 24.6 | Very low | 110 Ų | 110 | 145 Ų | 145 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | trans | -105.1 | 152.1 | 177.4 | 39.3 | -32.8 | 0 | 0 | 0 | 114.5 | ||||
| 1008 | T | 27.7 | Very low | 24.6 | Very low | 142 Ų | 142 | 150.4 Ų | 150.4 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | trans | -145.7 | 104.3 | 162.2 | -52.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1009 | R | 20.7 | Very low | 24.6 | Very low | 241 Ų | 241 | 148.8 Ų | 148.8 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | 20.2 | 116.1 | 143.4 | -163.5 | 172.3 | -172.1 | 153.7 | -0.5 | 120.3 | ||||
| 1010 | A | 22.3 | Very low | 24.9 | Very low | 88 Ų | 88 | 156.1 Ų | 156.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -38.6 | 154 | 166 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1011 | T | 26.4 | Very low | 25.3 | Very low | 135 Ų | 135 | 153.4 Ų | 153.4 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -160.4 | 159.3 | 134.1 | 8.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1012 | L | 23.7 | Very low | 25.5 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | 70.9 | 110.1 | 154.4 | -68.1 | 166.9 | 0 | 0 | 0 | 122.6 | ||||
| 1013 | V | 24.1 | Very low | 25.2 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | 82.2 | 139.5 | 122.3 | 167.1 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1014 | R | 21.8 | Very low | 25.1 | Very low | 233 Ų | 233 | 153.2 Ų | 153.2 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -54.5 | 143.1 | 169.8 | -58.9 | 162.6 | 166.7 | 168.1 | -8.5 | 112.6 | ||||
| 1015 | Q | 26.3 | Very low | 25.2 | Very low | 200 Ų | 200 | 157 Ų | 157 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | -152.5 | 169.2 | 113.2 | -115.3 | 175.6 | 10.8 | 0 | 0 | 111.6 | |||||
| 1016 | S | 23.8 | Very low | 25.1 | Very low | 94 Ų | 94 | 155.3 Ų | 155.3 | 66% | 0.657 | 82% | 0.816 | S | S | * | * | trans | -105.2 | 151.7 | -160.1 | 49.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1017 | N | 22.8 | Very low | 25.1 | Very low | 147 Ų | 147 | 157.6 Ų | 157.6 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | trans | 53.5 | 104 | 151.4 | -58.1 | -10.6 | 0 | 0 | 0 | 118.1 | ||||
| 1018 | R | 22.2 | Very low | 24.8 | Very low | 254 Ų | 254 | 157.9 Ų | 157.9 | 96% | 0.958 | 82% | 0.815 | S | S | * | * | -162 | 167.8 | 110 | -105.9 | 164.6 | -172.5 | -156.9 | 0.3 | 112 | |||||
| 1019 | S | 23.5 | Very low | 24.8 | Very low | 102 Ų | 102 | 158.8 Ų | 158.8 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | -125.7 | 149.1 | -163.4 | 48.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1020 | R | 27.9 | Very low | 24.9 | Very low | 243 Ų | 243 | 153.4 Ų | 153.4 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | trans | 63.6 | 169.6 | 170.9 | -67.3 | -178.3 | 173.9 | -170.5 | -2.1 | 114.8 | ||||
| 1021 | P | 33.6 | Very low | 24.9 | Very low | 122 Ų | 122 | 156 Ų | 156 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | cis | -116.8 | 173.2 | -6.5 | 40.9 | -29.2 | 0 | 0 | 0 | 113.6 | ||||
| 1022 | A | 27.3 | Very low | 24.8 | Very low | 100 Ų | 100 | 154.7 Ų | 154.7 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | 160.1 | 109.3 | 134.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1023 | L | 26.3 | Very low | 24.8 | Very low | 174 Ų | 174 | 153.7 Ų | 153.7 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -146.6 | 119.6 | 154.8 | -144.8 | 161 | 0 | 0 | 0 | 107.1 | ||||
| 1024 | N | 23 | Very low | 24.8 | Very low | 145 Ų | 145 | 152.9 Ų | 152.9 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -97.8 | 172.8 | -175.5 | -109.6 | -32.4 | 0 | 0 | 0 | 110.5 | ||||
| 1025 | Q | 25.7 | Very low | 25.1 | Very low | 179 Ų | 179 | 149.5 Ų | 149.5 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | 77.4 | 105.2 | -178.7 | -53.6 | 172.3 | -16.5 | 0 | 0 | 111.8 | ||||
| 1026 | V | 24.1 | Very low | 24.9 | Very low | 110 Ų | 110 | 145 Ų | 145 | 67% | 0.667 | 76% | 0.763 | S | S | * | * | 71.2 | 102.2 | 51.8 | -174.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1027 | F | 26.7 | Very low | 24.8 | Very low | 209 Ų | 209 | 150.2 Ų | 150.2 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | -137 | 131.3 | 129.2 | -108.8 | -79.6 | 0 | 0 | 0 | 108.6 | |||||
| 1028 | N | 22.1 | Very low | 25 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 62% | 0.62 | 77% | 0.77 | S | S | * | * | trans | -100.6 | 141.9 | 174.8 | -71.3 | -24.9 | 0 | 0 | 0 | 109.5 | I1030 | N1028-I1030 HydrophobicContact CB-CD1 4.29Š| ||
| 1029 | N | 26 | Very low | 25.1 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | 167.6 | 87.6 | 161.2 | -86.7 | -14.8 | 0 | 0 | 0 | 104.1 | ||||
| 1030 | I | 23.4 | Very low | 25.1 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | 64.7 | 123.6 | 53.2 | -55.1 | -179.7 | 0 | 0 | 0 | 112.1 | N1028 | N1028-I1030 HydrophobicContact CB-CD1 4.29Š| |||
| 1031 | N | 22.6 | Very low | 25.1 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 69.7 | 146.6 | 175.4 | -73.9 | 7.4 | 0 | 0 | 0 | 116.3 | ||||
| 1032 | T | 24.2 | Very low | 24.5 | Very low | 109 Ų | 109 | 145 Ų | 145 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | cis | -150.4 | 165.3 | 8.9 | -11.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1033 | N | 24.1 | Very low | 24.5 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | trans | 72.8 | 127.7 | 166.3 | -58.3 | 6.8 | 0 | 0 | 0 | 115 | ||||
| 1034 | T | 23.5 | Very low | 24.4 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | 62.8 | 128.3 | 50.5 | 76.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1035 | E | 27.3 | Very low | 24.5 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | cis | -159.8 | -177.2 | 45.7 | -77.5 | -169 | -154.9 | 0 | 0 | 109.4 | ||||
| 1036 | N | 22.5 | Very low | 24.3 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 57% | 0.567 | 74% | 0.74 | S | S | * | * | cis | -166.1 | 148.9 | -30.4 | -104.8 | -34.8 | 0 | 0 | 0 | 107 | ||||
| 1037 | Y | 22.2 | Very low | 24.3 | Very low | 204 Ų | 204 | 147.8 Ų | 147.8 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | 64.3 | 142.8 | 150.3 | -77.2 | -129.2 | 0 | 0 | 0 | 116.6 | ||||
| 1038 | L | 26.6 | Very low | 24.2 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 78% | 0.775 | 73% | 0.731 | S | S | * | * | cis | -150.9 | 178.8 | 3.4 | -101.1 | 162.6 | 0 | 0 | 0 | 107 | ||||
| 1039 | E | 25.2 | Very low | 24.2 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | cis | -130.4 | -97.1 | -2.5 | -173.4 | -129.5 | 34.9 | 0 | 0 | 111.3 | ||||
| 1040 | C | 23.7 | Very low | 24.1 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 64% | 0.642 | 73% | 0.725 | S | S | * | * | trans | -150.4 | 177.4 | -164.8 | -84.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1041 | N | 27.9 | Very low | 24.1 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | 93.5 | 83 | 172.3 | -53 | -41.7 | 0 | 0 | 0 | 114.6 | ||||
| 1042 | R | 20 | Very low | 24.1 | Very low | 227 Ų | 227 | 141.4 Ų | 141.4 | 86% | 0.857 | 73% | 0.73 | S | S | * | * | cis | 55.7 | 76.6 | 49.1 | -165 | -158.7 | -84.3 | -164.4 | -3.5 | 113.6 | ||||
| 1043 | F | 27.3 | Very low | 24.4 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -140.1 | 128.4 | 130.5 | -99.9 | -72.4 | 0 | 0 | 0 | 110.1 | ||||
| 1044 | G | 23.4 | Very low | 24.3 | Very low | 65 Ų | 65 | 142.6 Ų | 142.6 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | trans | -152.1 | 129.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1045 | Y | 25.1 | Very low | 24.3 | Very low | 205 Ų | 205 | 142.7 Ų | 142.7 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | trans | -111.1 | 93.4 | 170 | -88.2 | -79.7 | 0 | 0 | 0 | 108.9 | ||||
| 1046 | N | 21.7 | Very low | 24.1 | Very low | 155 Ų | 155 | 140.4 Ų | 140.4 | 83% | 0.829 | 73% | 0.731 | S | S | * | * | trans | -98.1 | 118.5 | 165.9 | -84.3 | -41.8 | 0 | 0 | 0 | 108.6 | ||||
| 1047 | I | 25.4 | Very low | 24.2 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | -108.5 | 95.7 | 168.6 | -66.7 | 180 | 0 | 0 | 0 | 105 | ||||
| 1048 | I | 24 | Very low | 24.2 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | 70.8 | 94.3 | 97.2 | -66.9 | 164.6 | 0 | 0 | 0 | 111.2 | |||||
| 1049 | T | 22.9 | Very low | 24 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | 49.7 | 172 | 128.8 | 77.6 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1050 | S | 23.8 | Very low | 23.8 | Very low | 85 Ų | 85 | 138.8 Ų | 138.8 | 59% | 0.594 | 74% | 0.735 | S | S | * | * | cis | -158.5 | 168.9 | 5.7 | -4.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1051 | N | 21.9 | Very low | 23.7 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | 28.3 | 140.2 | 133.4 | -44.7 | -13.3 | 0 | 0 | 0 | 118.9 | ||||
| 1052 | N | 23.9 | Very low | 23.4 | Very low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | cis | -166.8 | 156.3 | 21.4 | -127.1 | -3.4 | 0 | 0 | 0 | 110.3 | ||||
| 1053 | P | 29 | Very low | 23.5 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | trans | -92.4 | 143.5 | 169.5 | 35.4 | -30.9 | 0 | 0 | 0 | 112.2 | ||||
| 1054 | L | 22.8 | Very low | 23.4 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 80% | 0.801 | 73% | 0.726 | S | S | * | * | trans | -167.9 | 143.7 | 162.2 | -110.1 | 156.7 | 0 | 0 | 0 | 113.2 | ||||
| 1055 | N | 22.8 | Very low | 24 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | trans | 27.4 | 130.8 | 165.8 | -63.7 | -11.3 | 0 | 0 | 0 | 121.4 | ||||
| 1056 | T | 23.1 | Very low | 24 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | cis | 73.8 | 82.2 | 35.8 | -46.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 1057 | Y | 25.2 | Very low | 24.1 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | -138.7 | 134.1 | 145.3 | -76.7 | -78.7 | 0 | 0 | 0 | 105.9 | ||||
| 1058 | H | 22.3 | Very low | 24.1 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 73% | 0.731 | 75% | 0.746 | S | S | * | * | 53.1 | 135.8 | 73.1 | -69 | -61.9 | 0 | 0 | 0 | 112.7 | |||||
| 1059 | S | 21.8 | Very low | 24 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 58% | 0.58 | 75% | 0.749 | S | S | * | * | cis | -172.2 | 169.5 | -3.9 | -106.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1060 | T | 22.9 | Very low | 24.1 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | trans | 60.9 | 168.1 | 153.2 | 45.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 1061 | S | 21.4 | Very low | 24.1 | Very low | 89 Ų | 89 | 139.5 Ų | 139.5 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | cis | -167.2 | 139.4 | -41.7 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1062 | C | 20.8 | Very low | 24.4 | Very low | 108 Ų | 108 | 140 Ų | 140 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | trans | 54.3 | 172.7 | 147.6 | 70.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1063 | I | 22.8 | Very low | 24.5 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | 80.9 | 109.5 | 166.4 | -57.8 | 165.6 | 0 | 0 | 0 | 118 | ||||
| 1064 | S | 25.5 | Very low | 24.6 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -98 | -174.4 | 163.3 | -50.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1065 | P | 35.5 | Very low | 24.6 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | -122.6 | 143 | -62.8 | 34.3 | -21.1 | 0 | 0 | 0 | 111.2 | |||||
| 1066 | R | 25.6 | Very low | 24.7 | Very low | 252 Ų | 252 | 145.4 Ų | 145.4 | 95% | 0.951 | 76% | 0.759 | S | S | * | * | trans | -101 | 115.7 | 179.8 | -143.9 | 173.9 | -166.8 | 174.7 | 3.8 | 112.1 | ||||
| 1067 | K | 21.9 | Very low | 25 | Very low | 205 Ų | 205 | 148.7 Ų | 148.7 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | -76.5 | 135.7 | 167.8 | -68.2 | 178.8 | 178.3 | 177.3 | 0 | 110.1 | ||||
| 1068 | S | 25.8 | Very low | 25 | Very low | 118 Ų | 118 | 143 Ų | 143 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -150.1 | 131 | 160.2 | 52.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1069 | V | 23 | Very low | 25.1 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -116.3 | 126.2 | -173.1 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1070 | N | 24.2 | Very low | 25.4 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | trans | -179.1 | 129.6 | 139.2 | -92.6 | -24.7 | 0 | 0 | 0 | 108.1 | ||||
| 1071 | K | 24.9 | Very low | 25.4 | Very low | 163 Ų | 163 | 151 Ų | 151 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | 62.2 | 111.5 | 68 | -64.6 | -171 | -169.4 | 176.4 | 0 | 113.3 | |||||
| 1072 | N | 27.8 | Very low | 25.7 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | -170.1 | 154.5 | 90.3 | -96.3 | -33.1 | 0 | 0 | 0 | 112.9 | |||||
| 1073 | N | 25.1 | Very low | 25.9 | Very low | 134 Ų | 134 | 152.8 Ų | 152.8 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | -89.4 | 148.1 | -177.2 | -58.6 | -5.8 | 0 | 0 | 0 | 112.2 | ||||
| 1074 | R | 30.4 | Very low | 25.9 | Very low | 247 Ų | 247 | 150.4 Ų | 150.4 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | trans | -137.5 | 103.7 | 130.4 | -65.5 | -171 | 179 | 173.3 | -0.5 | 105.9 | ||||
| 1075 | N | 24.8 | Very low | 25.8 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | 58 | 111 | 66.1 | -79.7 | 21.7 | 0 | 0 | 0 | 115 | |||||
| 1076 | I | 24.4 | Very low | 25.2 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | trans | 68.5 | 113.8 | 130.1 | -56.9 | 166 | 0 | 0 | 0 | 117.6 | ||||
| 1077 | Q | 28.9 | Very low | 25.4 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | -150.1 | 145.6 | 117.4 | -159.8 | 67.9 | 9.5 | 0 | 0 | 108.2 | |||||
| 1078 | S | 25.5 | Very low | 25.4 | Very low | 80 Ų | 80 | 140.3 Ų | 140.3 | 56% | 0.559 | 75% | 0.746 | S | S | * | * | trans | -124.7 | 170.9 | -179.8 | 64.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1079 | D | 25 | Very low | 25.3 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 56.6 | 111.6 | 155.9 | -46.9 | -48.3 | 0 | 0 | 0 | 119.7 | ||||
| 1080 | R | 28.1 | Very low | 25.3 | Very low | 239 Ų | 239 | 142.7 Ų | 142.7 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | -154.6 | 123.5 | 129.4 | -124.8 | 172.4 | -178.1 | 170.8 | 0.1 | 113.4 | |||||
| 1081 | I | 22.1 | Very low | 25.5 | Very low | 159 Ų | 159 | 147.4 Ų | 147.4 | 82% | 0.815 | 75% | 0.747 | S | S | * | * | trans | -94.8 | 128.5 | 164.6 | -60.1 | 167.2 | 0 | 0 | 0 | 107.2 | ||||
| 1082 | V | 27.8 | Very low | 25.4 | Very low | 127 Ų | 127 | 145 Ų | 145 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | trans | -139.9 | 147.2 | 157.8 | -177.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1083 | T | 24.8 | Very low | 25.4 | Very low | 107 Ų | 107 | 144.9 Ų | 144.9 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | trans | -106.1 | 178.6 | -167 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1084 | S | 23.4 | Very low | 25.4 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | 77.8 | 133.9 | 135.7 | 54.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1085 | S | 22.3 | Very low | 25.1 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | 91.9 | 96.3 | 146.9 | -141.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1086 | V | 23.7 | Very low | 25 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | 22 | 115.9 | 110.1 | -173.1 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1087 | D | 28.4 | Very low | 24.9 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | -166.3 | 109.1 | 113.7 | -107.1 | -36 | 0 | 0 | 0 | 113.9 | |||||
| 1088 | N | 22.5 | Very low | 24.7 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | 44 | 153 | 115.4 | -130.5 | -10.2 | 0 | 0 | 0 | 124.2 | |||||
| 1089 | F | 23.4 | Very low | 24.6 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | trans | 77.1 | 115.7 | 162.8 | -61.1 | -63 | 0 | 0 | 0 | 123 | ||||
| 1090 | N | 22.9 | Very low | 24.7 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | 43.9 | 127.3 | 128.5 | -57.5 | -6.9 | 0 | 0 | 0 | 121.3 | |||||
| 1091 | Y | 28.4 | Very low | 24.5 | Very low | 234 Ų | 234 | 129.3 Ų | 129.3 | 92% | 0.918 | 72% | 0.722 | S | S | * | * | -145.9 | 149 | 121.6 | -118.1 | -78.8 | 0 | 0 | 0 | 112.3 | |||||
| 1092 | N | 23.7 | Very low | 24.5 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 60% | 0.599 | 73% | 0.725 | S | S | * | * | trans | -87.6 | 150.8 | -173.8 | -61.3 | -62.8 | 0 | 0 | 0 | 113.3 | I1094 | N1092-I1094 HydrophobicContact CB-CD1 3.95Å; N1092-I1094 HydrophobicContact CB-CG1 4.38Å | ||
| 1093 | N | 28.2 | Very low | 24.3 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | trans | -167.4 | 122.8 | 130 | -93 | -26.5 | 0 | 0 | 0 | 107.7 | ||||
| 1094 | I | 23.8 | Very low | 24.4 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 61% | 0.61 | 72% | 0.717 | S | S | * | * | cis | 62.8 | 110.1 | 44.7 | -49.9 | 172.5 | 0 | 0 | 0 | 108.4 | N1092 | N1092-I1094 HydrophobicContact CB-CD1 3.95Å; N1092-I1094 HydrophobicContact CB-CG1 4.38Å | ||
| 1095 | N | 24.6 | Very low | 24.6 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | -169.2 | -179.5 | 58.1 | -143.6 | -17.2 | 0 | 0 | 0 | 115.8 | |||||
| 1096 | T | 23.7 | Very low | 24.9 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 66% | 0.656 | 72% | 0.72 | S | S | * | * | trans | 69.8 | 90.4 | 148.2 | 46.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1097 | I | 22.6 | Very low | 25 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | 53 | 119.2 | 105.7 | -59.7 | 162.6 | 0 | 0 | 0 | 119.5 | |||||
| 1098 | S | 24.3 | Very low | 24.9 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | 166.2 | 143.6 | 123 | -72.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1099 | T | 23.2 | Very low | 25 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | cis | -176.4 | 167.6 | -17.6 | 30.3 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 1100 | T | 27.7 | Very low | 25.1 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | 64.7 | 121.9 | 177.3 | 61 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1101 | S | 22.8 | Very low | 25.1 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | cis | 80.9 | 136.7 | 35 | 87.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1102 | R | 21.7 | Very low | 25 | Very low | 232 Ų | 232 | 139.8 Ų | 139.8 | 88% | 0.875 | 73% | 0.731 | S | S | * | * | cis | -158.6 | 158.4 | 6 | -143.4 | 179.5 | 149.8 | 160.6 | -7.2 | 112.6 | ||||
| 1103 | S | 24.2 | Very low | 25.2 | Very low | 73 Ų | 73 | 145 Ų | 145 | 51% | 0.51 | 74% | 0.744 | S | S | . | * | trans | -28.6 | 146.9 | 166.3 | 59.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 1104 | N | 27.8 | Very low | 25.1 | Very low | 140 Ų | 140 | 141.9 Ų | 141.9 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | 172.2 | 128.8 | 113.7 | -78.9 | -0.8 | 0 | 0 | 0 | 107.8 | |||||
| 1105 | H | 26 | Very low | 25.3 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | 80.5 | 149.9 | 57.9 | -90 | -83.9 | 0 | 0 | 0 | 115.3 | |||||
| 1106 | T | 30.2 | Very low | 25.7 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | 69.2 | 153.9 | 174.8 | 67 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1107 | E | 25.2 | Very low | 25.9 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | cis | -159.7 | 176.8 | -46.9 | -133.9 | 167.2 | 147.1 | 0 | 0 | 111.8 | ||||
| 1108 | Y | 25.7 | Very low | 26.5 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | -20.6 | 148.1 | 175.1 | -97.7 | -108.2 | 0 | 0 | 0 | 122.7 | ||||
| 1109 | D | 25.9 | Very low | 26.7 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 29.2 | 120.7 | 144 | -65.9 | -9.9 | 0 | 0 | 0 | 121.2 | ||||
| 1110 | S | 24.9 | Very low | 27.2 | Very low | 119 Ų | 119 | 149.9 Ų | 149.9 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | -167 | 150.2 | 97.6 | -169 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1111 | F | 23.4 | Very low | 27.1 | Very low | 175 Ų | 175 | 150.2 Ų | 150.2 | 77% | 0.768 | 76% | 0.761 | S | S | * | * | trans | -71.6 | 158 | 176.4 | -83.9 | -94.7 | 0 | 0 | 0 | 115.3 | ||||
| 1112 | Y | 25.6 | Very low | 27.4 | Very low | 193 Ų | 193 | 151.4 Ų | 151.4 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | 60.9 | 110 | 154.2 | -82.9 | -74.6 | 0 | 0 | 0 | 119.4 | ||||
| 1113 | Y | 28 | Very low | 27.7 | Very low | 222 Ų | 222 | 149.6 Ų | 149.6 | 87% | 0.871 | 76% | 0.764 | S | S | * | * | -164.1 | 179.2 | 88.1 | -118.8 | -86.3 | 0 | 0 | 0 | 113.3 | |||||
| 1114 | S | 26.2 | Very low | 28 | Very low | 86 Ų | 86 | 154.6 Ų | 154.6 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | trans | -112.1 | 170 | -167.9 | -168.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1115 | H | 26.4 | Very low | 28.1 | Very low | 127 Ų | 127 | 156.8 Ų | 156.8 | 59% | 0.588 | 79% | 0.786 | S | S | * | * | trans | 71.5 | 118.6 | 170.2 | -61.5 | -78 | 0 | 0 | 0 | 118.9 | D1117 | H1115-D1117 IonicContact ND1-OD1 3.38Å; H1115-D1117 PolarHBondContact ND1-OD1 3.06Å; H1115-D1117 IonicContact ND1-OD2 3.55Å | ||
| 1116 | N | 33.3 | Very low | 28.3 | Very low | 162 Ų | 162 | 155.6 Ų | 155.6 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | -129.3 | 131.8 | 120.7 | -82 | -43.2 | 0 | 0 | 0 | 106.6 | |||||
| 1117 | D | 29.2 | Very low | 28.3 | Very low | 125 Ų | 125 | 160.3 Ų | 160.3 | 67% | 0.668 | 79% | 0.789 | S | S | * | * | trans | -102.1 | 109.6 | 173.9 | -55.4 | -53.7 | 0 | 0 | 0 | 108.1 | H1115 | H1115-D1117 IonicContact ND1-OD1 3.38Å; H1115-D1117 PolarHBondContact ND1-OD1 3.06Å; H1115-D1117 IonicContact ND1-OD2 3.55Å | ||
| 1118 | D | 35.7 | Very low | 28.6 | Very low | 165 Ų | 165 | 158.6 Ų | 158.6 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -90.4 | 138.1 | 169.9 | -91.2 | -50.5 | 0 | 0 | 0 | 110.1 | ||||
| 1119 | N | 27.8 | Very low | 28.8 | Very low | 149 Ų | 149 | 158.7 Ų | 158.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -89.3 | 126.4 | -178 | -66.1 | -107.5 | 0 | 0 | 0 | 109.4 | ||||
| 1120 | D | 33.1 | Very low | 29.2 | Very low | 162 Ų | 162 | 159.6 Ų | 159.6 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | -147 | 135.2 | 142.5 | -118 | -31.5 | 0 | 0 | 0 | 110.7 | ||||
| 1121 | T | 25.1 | Very low | 29.4 | Very low | 135 Ų | 135 | 163.5 Ų | 163.5 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | trans | -96.1 | 111.5 | -173.3 | 42.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1122 | V | 30.7 | Very low | 29.8 | Very low | 125 Ų | 125 | 164.8 Ų | 164.8 | 76% | 0.758 | 80% | 0.804 | S | S | * | * | trans | -131 | 124 | 160.3 | -178.2 | 0 | 0 | 0 | 0 | 107.6 | E1124 | V1122-E1124 HydrophobicContact CG1-CG 4.3Å; V1122-E1124 PolarHBondContact O-N 2.99Å | ||
| 1123 | E | 27.5 | Very low | 30 | Very low | 194 Ų | 194 | 160 Ų | 160 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -80.2 | 106 | 168.1 | -64.9 | 177.9 | 149.6 | 0 | 0 | 107.7 | ||||
| 1124 | E | 30.6 | Very low | 29.9 | Very low | 179 Ų | 179 | 157.5 Ų | 157.5 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -98.8 | 112.6 | 157.5 | -70.9 | -162.4 | 146.5 | 0 | 0 | 107.6 | V1122 | V1122-E1124 HydrophobicContact CG1-CG 4.3Å; V1122-E1124 PolarHBondContact O-N 2.99Å | ||
| 1125 | E | 30.7 | Very low | 30.1 | Very low | 186 Ų | 186 | 161.9 Ų | 161.9 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -65.5 | 148.2 | 176.5 | -71.1 | -175.2 | 119 | 0 | 0 | 110.9 | Y1127 | E1125-Y1127 PolarHBondContact O-N 3.29Š| ||
| 1126 | I | 29.7 | Very low | 30.3 | Very low | 146 Ų | 146 | 164.3 Ų | 164.3 | 75% | 0.749 | 82% | 0.823 | S | S | * | * | trans | -66.9 | 128.9 | -175.5 | -67.9 | 164.7 | 0 | 0 | 0 | 109.7 | D1128 | I1126-D1128 VanDerWaalsContact C-N 3.34Å; I1126-D1128 PolarHBondContact O-N 3.46Å | ||
| 1127 | Y | 29.1 | Very low | 30.1 | Very low | 222 Ų | 222 | 165.3 Ų | 165.3 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | trans | -68.2 | 93.5 | 160.1 | -90.7 | -101.6 | 0 | 0 | 0 | 108.8 | E1125 E1129 | E1125-Y1127 PolarHBondContact O-N 3.29Å; Y1127-E1129 PolarHBondContact O-N 2.98Å | ||
| 1128 | D | 31.2 | Very low | 30.2 | Very low | 131 Ų | 131 | 165.6 Ų | 165.6 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | trans | -67.7 | 115.4 | 160 | -82.2 | -44.3 | 0 | 0 | 0 | 108.1 | I1126 D1130 | I1126-D1128 VanDerWaalsContact C-N 3.34Å; I1126-D1128 PolarHBondContact O-N 3.46Å; D1128-D1130 PolarHBondContact O-N 3.41Å | ||
| 1129 | E | 29.8 | Very low | 30.2 | Very low | 195 Ų | 195 | 164.7 Ų | 164.7 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | -74.8 | 75.8 | 170.9 | -74.3 | -162 | 166.1 | 0 | 0 | 109.9 | Y1127 Y1131 | Y1127-E1129 PolarHBondContact O-N 2.98Å; E1129-Y1131 PolarHBondContact O-N 3.35Å | ||
| 1130 | D | 35.3 | Very low | 30.3 | Very low | 154 Ų | 154 | 161.2 Ų | 161.2 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | trans | -72.3 | 88.5 | -179.5 | -122.5 | -12.5 | 0 | 0 | 0 | 111.2 | D1128 E1132 | D1128-D1130 PolarHBondContact O-N 3.41Å; D1130-E1132 PolarHBondContact O-N 3.15Å | ||
| 1131 | Y | 29 | Very low | 30.3 | Very low | 200 Ų | 200 | 161.8 Ų | 161.8 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | 17.3 | 97.3 | 150 | -143.5 | -92.9 | 0 | 0 | 0 | 117.1 | E1129 S1133 | E1129-Y1131 PolarHBondContact O-N 3.35Å; Y1131-S1133 PolarHBondContact O-N 3.42Å | ||
| 1132 | E | 32.3 | Very low | 30.5 | Very low | 203 Ų | 203 | 163.1 Ų | 163.1 | 95% | 0.949 | 83% | 0.826 | S | S | * | * | trans | -51.2 | 114.8 | 168.4 | -69.5 | -175.7 | 135.9 | 0 | 0 | 110.7 | D1130 | D1130-E1132 PolarHBondContact O-N 3.15Š| ||
| 1133 | S | 30.1 | Very low | 30.8 | Very low | 91 Ų | 91 | 165.3 Ų | 165.3 | 64% | 0.636 | 83% | 0.832 | S | S | * | * | trans | -135.1 | 136.4 | 168.4 | 49.2 | 0 | 0 | 0 | 0 | 109 | Y1131 E1135 | Y1131-S1133 PolarHBondContact O-N 3.42Å; S1133-E1135 PolarHBondContact O-N 2.85Å | ||
| 1134 | D | 26.1 | Very low | 30.8 | Very low | 170 Ų | 170 | 164 Ų | 164 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | -67.9 | 100.2 | -164.2 | -56 | -87.4 | 0 | 0 | 0 | 112.8 | E1136 | D1134-E1136 PolarHBondContact O-N 3.44Š| ||
| 1135 | E | 30.7 | Very low | 30.7 | Very low | 179 Ų | 179 | 158.7 Ų | 158.7 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | trans | -66.7 | 118.3 | 168.1 | -86.5 | -70.8 | 148.8 | 0 | 0 | 110.7 | S1133 F1137 | S1133-E1135 PolarHBondContact O-N 2.85Å; E1135-F1137 PolarHBondContact O-N 3.11Å | ||
| 1136 | E | 29.4 | Very low | 30.4 | Very low | 178 Ų | 178 | 161.5 Ų | 161.5 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | trans | -81.5 | 107.6 | -178 | -170.1 | 170.6 | -156.8 | 0 | 0 | 110.2 | D1134 T1138 | D1134-E1136 PolarHBondContact O-N 3.44Å; E1136-T1138 PolarHBondContact O-N 2.94Å | ||
| 1137 | F | 29 | Very low | 30.3 | Very low | 182 Ų | 182 | 159.4 Ų | 159.4 | 80% | 0.798 | 83% | 0.826 | S | S | * | * | trans | -41.6 | 121.7 | -177.1 | -108.7 | -106.9 | 0 | 0 | 0 | 113.8 | E1135 | E1135-F1137 PolarHBondContact O-N 3.11Š| ||
| 1138 | T | 32.4 | Very low | 30.2 | Very low | 131 Ų | 131 | 155.4 Ų | 155.4 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -124.4 | 97.3 | 166.2 | 42.8 | 0 | 0 | 0 | 0 | 109.8 | E1136 | E1136-T1138 PolarHBondContact O-N 2.94Š| ||
| 1139 | D | 34 | Very low | 29.9 | Very low | 147 Ų | 147 | 155.2 Ų | 155.2 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -62.2 | 135.7 | -178.3 | -63.3 | -51.4 | 0 | 0 | 0 | 112.1 | ||||
| 1140 | G | 29.8 | Very low | 29.7 | Very low | 76 Ų | 76 | 151.6 Ų | 151.6 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | -157.9 | 94 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1141 | D | 33.5 | Very low | 29.1 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -130.5 | 141.9 | 172.7 | -102.2 | -40.1 | 0 | 0 | 0 | 110.1 | ||||
| 1142 | D | 30.3 | Very low | 28.9 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | -79.6 | 130.4 | -178.3 | -79.5 | -56.6 | 0 | 0 | 0 | 112.7 | ||||
| 1143 | L | 37.3 | Very low | 28.4 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | -143.7 | 149.4 | 162.6 | -82 | -175.7 | 0 | 0 | 0 | 113.9 | ||||
| 1144 | D | 27.3 | Very low | 28.6 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -70.7 | 159.6 | -172.8 | -72.5 | -77.1 | 0 | 0 | 0 | 116.1 | ||||
| 1145 | G | 27.5 | Very low | 28.7 | Very low | 68 Ų | 68 | 143.8 Ų | 143.8 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | 119.3 | 78.7 | 116.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1146 | R | 24.6 | Very low | 28.4 | Very low | 246 Ų | 246 | 141.8 Ų | 141.8 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | 75.2 | 139.2 | 123.8 | -154.6 | 177.5 | -164.1 | 162.3 | 3.7 | 120.1 | |||||
| 1147 | S | 27.8 | Very low | 28.2 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 98.3 | 125.9 | 160 | 78.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1148 | N | 26.5 | Very low | 28.1 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | 47.7 | 137.1 | 136.8 | -60.7 | 50.5 | 0 | 0 | 0 | 120.5 | ||||
| 1149 | D | 24.6 | Very low | 27.7 | Very low | 127 Ų | 127 | 135 Ų | 135 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | cis | -161.4 | 169.5 | 7 | -128.8 | -43.6 | 0 | 0 | 0 | 113.8 | ||||
| 1150 | T | 25.7 | Very low | 27.2 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 64 | 108.2 | 164.6 | 26.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1151 | S | 23 | Very low | 26.8 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | 50.3 | 143.2 | 128.9 | 63.4 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1152 | S | 24.5 | Very low | 26.2 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | -171.7 | 113.6 | -12.6 | 48.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 1153 | N | 22.6 | Very low | 25.8 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | 65.6 | 91.1 | 82.6 | -168 | -5.2 | 0 | 0 | 0 | 114.4 | |||||
| 1154 | S | 33.8 | Very low | 25 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -127.1 | 66 | 178.9 | 64.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1155 | K | 27.7 | Very low | 24.8 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | 39.1 | 135.5 | 143.3 | -80.9 | -178.1 | 174.9 | 178.5 | 0 | 121.5 | ||||
| 1156 | I | 25.3 | Very low | 24.5 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | trans | 76.5 | 129.8 | 140.9 | -68.3 | 168.2 | 0 | 0 | 0 | 115.7 | ||||
| 1157 | N | 25.9 | Very low | 24.4 | Very low | 119 Ų | 119 | 140 Ų | 140 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | cis | -162.7 | 164.9 | -4.9 | -114.7 | 8.3 | 0 | 0 | 0 | 111.5 | ||||
| 1158 | N | 25.3 | Very low | 24.1 | Very low | 122 Ų | 122 | 141.1 Ų | 141.1 | 65% | 0.652 | 73% | 0.734 | S | S | * | * | trans | 51 | 116.1 | 145.1 | -61.6 | 5.5 | 0 | 0 | 0 | 119.8 | ||||
| 1159 | T | 25.3 | Very low | 24.2 | Very low | 107 Ų | 107 | 141 Ų | 141 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | 68.2 | 148.1 | 66.4 | 69.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1160 | F | 23.4 | Very low | 24.2 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | 75.3 | 147.4 | -178.9 | -67.6 | -103.1 | 0 | 0 | 0 | 117 | ||||
| 1161 | W | 20.9 | Very low | 24.2 | Very low | 207 Ų | 207 | 140.2 Ų | 140.2 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | cis | 176.5 | 156.8 | -33.1 | -117.1 | 107.1 | 0 | 0 | 0 | 106.5 | ||||
| 1162 | R | 21.2 | Very low | 24.3 | Very low | 222 Ų | 222 | 143.2 Ų | 143.2 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | trans | 72.6 | 132.7 | 160.2 | -67.1 | 176.6 | 177.3 | -136.8 | -5.5 | 120.9 | ||||
| 1163 | S | 21.5 | Very low | 24.6 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -70.1 | 178 | 156.7 | -36.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1164 | N | 21.4 | Very low | 24.6 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | 73.1 | 90 | 160.2 | -58.7 | -13.9 | 0 | 0 | 0 | 118.9 | ||||
| 1165 | R | 22.4 | Very low | 24 | Very low | 245 Ų | 245 | 141.6 Ų | 141.6 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | -150.4 | 154 | 123.5 | -151.1 | 134.1 | -66.1 | -135.7 | 1.3 | 112.9 | |||||
| 1166 | S | 21.1 | Very low | 24.1 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | -98.1 | -168.5 | 175.9 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1167 | T | 23.3 | Very low | 24 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | 91.9 | 110.2 | 168.1 | 71 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1168 | K | 21 | Very low | 24.1 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 54% | 0.535 | 76% | 0.761 | S | S | . | * | trans | 37.1 | 115.8 | 138 | -46.1 | 176.6 | -152 | 168.2 | 0 | 119.6 | E678 | E678-K1168 WeakPolarHBondContact OE1-CE 3.35Å; E678-K1168 IonicContact OE1-NZ 3.9Å; E678-K1168 PolarHBondContact OE1-NZ 3.43Å; E678-K1168 WeakPolarHBondContact OE2-CE 3.29Å; E678-K1168 IonicContact OE2-NZ 2.92Å; E678-K1168 PolarHBondContact OE2-NZ 3.4Å | ||
| 1169 | P | 28 | Very low | 24.3 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -82.5 | 136.8 | 140.9 | 33.6 | -28.4 | 0 | 0 | 0 | 109.8 | ||||
| 1170 | N | 24.4 | Very low | 24.3 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | -139.6 | 155.7 | 171.6 | -150.5 | -4.9 | 0 | 0 | 0 | 110.7 | ||||
| 1171 | S | 25.7 | Very low | 24.6 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | 53.3 | 103 | 170.1 | 59.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1172 | L | 24.7 | Very low | 24.9 | Very low | 169 Ų | 169 | 135.5 Ų | 135.5 | 89% | 0.885 | 76% | 0.76 | S | S | * | * | 78.8 | 161.4 | 122.5 | -66.4 | 171.2 | 0 | 0 | 0 | 120.7 | |||||
| 1173 | P | 31.1 | Very low | 25.1 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | -122.5 | 169.3 | -149.6 | 43.4 | -32.5 | 0 | 0 | 0 | 116 | ||||
| 1174 | A | 22.4 | Very low | 25.4 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | trans | -153.3 | 160.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1175 | S | 22.1 | Very low | 25.7 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | trans | -69.6 | 149.3 | -176.7 | 44.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1176 | A | 28.8 | Very low | 26 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 78% | 0.777 | 69% | 0.693 | S | S | * | * | trans | -172.7 | 121.1 | 139.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1177 | L | 25.1 | Very low | 26.2 | Very low | 159 Ų | 159 | 115.7 Ų | 115.7 | 83% | 0.832 | 69% | 0.686 | S | S | * | * | trans | 155.5 | 120 | 132.2 | -88 | 172.9 | 0 | 0 | 0 | 113.5 | ||||
| 1178 | P | 27.9 | Very low | 26.3 | Very low | 109 Ų | 109 | 115 Ų | 115 | 71% | 0.708 | 68% | 0.678 | S | S | * | * | trans | -106.6 | -164.4 | 175.2 | 40.6 | -32.7 | 0 | 0 | 0 | 113.9 | ||||
| 1179 | L | 29.4 | Very low | 26.7 | Very low | 163 Ų | 163 | 112 Ų | 112 | 85% | 0.853 | 67% | 0.671 | S | S | * | * | trans | 78.9 | 126.4 | 178.4 | -50.8 | 174.8 | 0 | 0 | 0 | 115.2 | ||||
| 1180 | N | 24.3 | Very low | 26.5 | Very low | 121 Ų | 121 | 112.6 Ų | 112.6 | 65% | 0.647 | 67% | 0.667 | S | S | * | * | cis | 101.4 | 97.4 | 8 | -163.8 | 4.7 | 0 | 0 | 0 | 116.7 | H1182 | N1180-H1182 PolarHBondContact OD1-CE1 3.2Å; N1180-H1182 PolarHBondContact OD1-ND1 3.02Å | ||
| 1181 | L | 29 | Very low | 26.4 | Very low | 159 Ų | 159 | 111.3 Ų | 111.3 | 83% | 0.832 | 67% | 0.669 | S | S | * | * | trans | -166.9 | 173.4 | 152.4 | -132.1 | 71.2 | 0 | 0 | 0 | 112 | ||||
| 1182 | H | 27.6 | Very low | 26.4 | Very low | 116 Ų | 116 | 113.2 Ų | 113.2 | 54% | 0.537 | 68% | 0.679 | S | S | . | * | -142 | 162.6 | -123.1 | -102.8 | 71.9 | 0 | 0 | 0 | 115.8 | N1180 F1346 | N1180-H1182 PolarHBondContact OD1-CE1 3.2Å; N1180-H1182 PolarHBondContact OD1-ND1 3.02Å; H1182-F1346 WeakPolarHBondContact O-CZ 3.4Å | |||
| 1183 | N | 26.3 | Very low | 26.3 | Very low | 105 Ų | 105 | 110.7 Ų | 110.7 | 56% | 0.561 | 68% | 0.676 | S | S | * | * | trans | 72.4 | 101.5 | 150.9 | -64.8 | -7.8 | 0 | 0 | 0 | 126.8 | F1346 | N1183-F1346 VanDerWaalsContact C-CE2 3.42Å; N1183-F1346 VanDerWaalsContact O-CE2 3.24Å; N1183-F1346 WeakPolarHBondContact O-CE2 3.4Å; N1183-F1346 WeakPolarHBondContact O-CZ 3.42Å | ||
| 1184 | N | 27.7 | Very low | 26.1 | Very low | 98 Ų | 98 | 110.7 Ų | 110.7 | 52% | 0.524 | 68% | 0.678 | S | S | . | * | 73.7 | 157 | 126.5 | -47.6 | -16.1 | 0 | 0 | 0 | 121.1 | F1346 | N1184-F1346 VanDerWaalsContact N-CD1 3.26Å; N1184-F1346 WeakPolarHBondContact O-CD2 3.37Å; N1184-F1346 VanDerWaalsContact O-CG 3.27Å; N1184-F1346 WeakPolarHBondContact O-CG 3.41Å | |||
| 1185 | D | 26.4 | Very low | 26.3 | Very low | 76 Ų | 76 | 114.9 Ų | 114.9 | 41% | 0.406 | 68% | 0.68 | S | S | . | * | cis | -168.8 | 162.3 | 10.5 | -141 | -42.4 | 0 | 0 | 0 | 117.3 | T1347 K1348 H1349 | D1185-T1347 CarbonylContact C-O 3.49Å; D1185-K1348 WeakPolarHBondContact O-CE 3.39Å; D1185-K1348 WeakPolarHBondContact O-CG 3.49Å; D1185-K1348 PolarHBondContact O-NZ 2.99Å; D1185-H1349 IonicContact OD1-CD2 3.58Å; D1185-H1349 PolarHBondContact OD1-CD2 2.94Å | ||
| 1186 | S | 29.6 | Very low | 26.6 | Very low | 53 Ų | 53 | 115.9 Ų | 115.9 | 37% | 0.371 | 68% | 0.675 | S | S | . | * | trans | 63.2 | 118.8 | 150.2 | 63.9 | 0 | 0 | 0 | 0 | 128.4 | K1348 H1349 | S1186-K1348 VanDerWaalsContact C-C 3.46Å; S1186-K1348 VanDerWaalsContact C-CG 3.45Å; S1186-K1348 VanDerWaalsContact O-CB 3.27Å; S1186-K1348 WeakPolarHBondContact O-CB 3.25Å; S1186-K1348 WeakPolarHBondContact O-CD 3.29Å; S1186-K1348 VanDerWaalsContact O-CE 3.31Å; S1186-K1348 WeakPolarHBondContact O-CE 3.21Å; S1186-K1348 WeakPolarHBondContact O-CG 3.41Å; S1186-K1348 PolarHBondContact O-NZ 3.07Å; S1186-K1348 PolarHBondContact OG-NZ 3.47Å; S1186-H1349 CarbonylContact C-O 3.59Å | ||
| 1187 | A | 25.6 | Very low | 26.6 | Very low | 65 Ų | 65 | 116.3 Ų | 116.3 | 54% | 0.537 | 67% | 0.669 | S | S | . | * | trans | 164.7 | -44.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | K1348 H1349 S1350 | A1187-K1348 VanDerWaalsContact N-CB 3.32Å; A1187-H1349 WeakPolarHBondContact CA-O 3.5Å; A1187-H1349 PolarHBondContact N-O 3.39Å; A1187-S1350 CarbonylContact C-O 3.45Å; A1187-S1350 VanDerWaalsContact C-O 3.23Å; A1187-S1350 WeakPolarHBondContact CB-O 3.46Å | ||
| 1188 | L | 26 | Very low | 26.7 | Very low | 99 Ų | 99 | 115.8 Ų | 115.8 | 52% | 0.518 | 66% | 0.663 | S | S | . | * | trans | 70.9 | -168.8 | 167.4 | -112.1 | -152.3 | 0 | 0 | 0 | 124.2 | K1348 Q1351 | L1188-K1348 WeakPolarHBondContact CA-O 3.06Å; L1188-K1348 PolarHBondContact N-O 2.7Å; L1188-Q1351 HydrophobicContact CB-CB 4.03Å; L1188-Q1351 HydrophobicContact CB-CG 4.42Å; L1188-Q1351 HydrophobicContact CD1-CB 4.04Å | ||
| 1189 | P | 29.1 | Very low | 27 | Very low | 62 Ų | 62 | 115.1 Ų | 115.1 | 40% | 0.403 | 66% | 0.656 | S | S | . | * | trans | -129.2 | -178.8 | -130.1 | 50.3 | -34.3 | 0 | 0 | 0 | 119.9 | Q1351 | P1189-Q1351 PolarHBondContact O-NE2 3.17Š| ||
| 1190 | N | 22.5 | Very low | 27.3 | Very low | 148 Ų | 148 | 111.2 Ų | 111.2 | 79% | 0.791 | 64% | 0.643 | S | S | * | * | trans | 8.5 | 133.6 | 144.7 | -59.9 | -7.3 | 0 | 0 | 0 | 121.5 | ||||
| 1191 | S | 22.7 | Very low | 27.9 | Very low | 111 Ų | 111 | 109.4 Ų | 109.4 | 78% | 0.776 | 64% | 0.64 | S | S | * | * | trans | -148.8 | 140.3 | 138.5 | -75.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1192 | P | 25.8 | Very low | 28.4 | Very low | 132 Ų | 132 | 107.6 Ų | 107.6 | 86% | 0.857 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -83 | 136.6 | -165 | 31.4 | -35.3 | 0 | 0 | 0 | 114 | ||
| 1193 | S | 23.5 | Very low | 29 | Very low | 117 Ų | 117 | 111.1 Ų | 111.1 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 141 | 167.4 | 54.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 1194 | S | 26 | Very low | 29.7 | Very low | 116 Ų | 116 | 110 Ų | 110 | 81% | 0.811 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 136.2 | -174.1 | 56 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1195 | E | 27.2 | Very low | 30.3 | Very low | 191 Ų | 191 | 107.2 Ų | 107.2 | 89% | 0.893 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 163 | 166.2 | -69 | -172.9 | 118.7 | 0 | 0 | 113.4 | ||
| 1196 | I | 29 | Very low | 31.4 | Very low | 140 Ų | 140 | 106 Ų | 106 | 72% | 0.718 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 132.1 | -164.8 | -61.6 | 168.4 | 0 | 0 | 0 | 111.6 | E1198 | I1196-E1198 VanDerWaalsContact C-N 3.32Å; I1196-E1198 HydrophobicContact CG2-CG 3.94Å; I1196-E1198 PolarHBondContact O-N 3.12Å |
| 1197 | P | 27.9 | Very low | 33.3 | Very low | 102 Ų | 102 | 107.2 Ų | 107.2 | 66% | 0.662 | 64% | 0.638 | S | S | * | * | trans | -83.7 | 56.3 | -174.7 | 34.6 | -37.9 | 0 | 0 | 0 | 114.7 | V1199 S1200 | P1197-V1199 PolarHBondContact O-N 3.16Å; P1197-S1200 PolarHBondContact O-N 2.85Å; P1197-S1200 PolarHBondContact O-OG 3.33Å | ||
| 1198 | E | 28.3 | Very low | 35.8 | Very low | 149 Ų | 149 | 109.4 Ų | 109.4 | 70% | 0.696 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -26.2 | -178.9 | -68.6 | -154.8 | 119.9 | 0 | 0 | 114.5 | I1196 S1200 S1201 | I1196-E1198 VanDerWaalsContact C-N 3.32Å; I1196-E1198 HydrophobicContact CG2-CG 3.94Å; I1196-E1198 PolarHBondContact O-N 3.12Å; E1198-S1200 PolarHBondContact O-N 3.12Å; E1198-S1201 PolarHBondContact O-N 2.89Å; E1198-S1201 VanDerWaalsContact O-N 3.11Å |
| 1199 | V | 33.6 | Very low | 38.3 | Very low | 94 Ų | 94 | 112.4 Ų | 112.4 | 57% | 0.57 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -59.5 | -20.3 | -177.7 | -173 | 0 | 0 | 0 | 0 | 113 | P1197 R1203 | P1197-V1199 PolarHBondContact O-N 3.16Å; V1199-R1203 HydrophobicContact CG1-CG 4.32Å; V1199-R1203 WeakPolarHBondContact O-CB 3.48Å; V1199-R1203 PolarHBondContact O-N 3.45Å |
| 1200 | S | 36.1 | Very low | 40.3 | Very low | 82 Ų | 82 | 117.4 Ų | 117.4 | 57% | 0.573 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -63.4 | -41.8 | 176.1 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | P1197 E1198 S1204 | P1197-S1200 PolarHBondContact O-N 2.85Å; P1197-S1200 PolarHBondContact O-OG 3.33Å; E1198-S1200 PolarHBondContact O-N 3.12Å; S1200-S1204 WeakPolarHBondContact O-CB 3.45Å; S1200-S1204 PolarHBondContact O-N 2.9Å |
| 1201 | S | 36.1 | Very low | 42.8 | Very low | 83 Ų | 83 | 112.3 Ų | 112.3 | 58% | 0.58 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.8 | -51.5 | 178.2 | 177.4 | 0 | 0 | 0 | 0 | 110.9 | E1198 R1203 S1204 A1205 | E1198-S1201 PolarHBondContact O-N 2.89Å; E1198-S1201 VanDerWaalsContact O-N 3.11Å; S1201-R1203 PolarHBondContact O-N 2.9Å; S1201-S1204 WeakPolarHBondContact O-CB 3.46Å; S1201-S1204 PolarHBondContact O-N 3.39Å; S1201-S1204 VanDerWaalsContact O-N 3.12Å; S1201-A1205 PolarHBondContact O-N 3.19Å |
| 1202 | I | 40 | Very low | 45.2 | Very low | 121 Ų | 121 | 112 Ų | 112 | 62% | 0.621 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.7 | -41.6 | -177.8 | -58.7 | 177 | 0 | 0 | 0 | 110.6 | A1205 A1206 | I1202-A1205 PolarHBondContact O-N 3.46Å; I1202-A1206 WeakPolarHBondContact O-CB 3.39Å; I1202-A1206 PolarHBondContact O-N 3.41Å |
| 1203 | R | 40.5 | Very low | 48 | Very low | 189 Ų | 189 | 112.7 Ų | 112.7 | 71% | 0.713 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.9 | -36.6 | 174.2 | -77.8 | -169.7 | 179.6 | -164.1 | 2.5 | 112.8 | V1199 S1201 S1207 | V1199-R1203 HydrophobicContact CG1-CG 4.32Å; V1199-R1203 WeakPolarHBondContact O-CB 3.48Å; V1199-R1203 PolarHBondContact O-N 3.45Å; S1201-R1203 PolarHBondContact O-N 2.9Å; R1203-S1207 WeakPolarHBondContact O-CB 3.39Å; R1203-S1207 PolarHBondContact O-N 3.03Å |
| 1204 | S | 40.4 | Very low | 51 | Low | 83 Ų | 83 | 111.5 Ų | 111.5 | 58% | 0.58 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.4 | -48.5 | 175.3 | -169.2 | 0 | 0 | 0 | 0 | 111.5 | S1200 S1201 A1206 S1207 H1208 | S1200-S1204 WeakPolarHBondContact O-CB 3.45Å; S1200-S1204 PolarHBondContact O-N 2.9Å; S1201-S1204 WeakPolarHBondContact O-CB 3.46Å; S1201-S1204 PolarHBondContact O-N 3.39Å; S1201-S1204 VanDerWaalsContact O-N 3.12Å; S1204-A1206 VanDerWaalsContact C-N 3.34Å; S1204-A1206 PolarHBondContact O-N 3.43Å; S1204-S1207 PolarHBondContact O-N 3.41Å; S1204-H1208 WeakPolarHBondContact O-CB 3.48Å; S1204-H1208 PolarHBondContact O-N 3.22Å |
| 1205 | A | 40.2 | Very low | 53.7 | Low | 38 Ų | 38 | 113.2 Ų | 113.2 | 31% | 0.314 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.2 | -33 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S1201 I1202 R1209 | S1201-A1205 PolarHBondContact O-N 3.19Å; I1202-A1205 PolarHBondContact O-N 3.46Å; A1205-R1209 WeakPolarHBondContact O-CB 3.35Å; A1205-R1209 WeakPolarHBondContact O-CG 3.48Å; A1205-R1209 PolarHBondContact O-N 2.81Å; A1205-R1209 PolarHBondContact O-NE 3.31Å |
| 1206 | A | 50 | Low | 56.4 | Low | 51 Ų | 51 | 108.8 Ų | 108.8 | 42% | 0.421 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72.8 | -38.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1202 S1204 R1210 | I1202-A1206 WeakPolarHBondContact O-CB 3.39Å; I1202-A1206 PolarHBondContact O-N 3.41Å; S1204-A1206 VanDerWaalsContact C-N 3.34Å; S1204-A1206 PolarHBondContact O-N 3.43Å; A1206-R1210 VanDerWaalsContact O-CB 3.27Å; A1206-R1210 WeakPolarHBondContact O-CB 3.32Å; A1206-R1210 PolarHBondContact O-N 3.21Å |
| 1207 | S | 68.6 | Low | 58.7 | Low | 78 Ų | 78 | 106.7 Ų | 106.7 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 174.4 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | R1203 S1204 R1210 A1211 | R1203-S1207 WeakPolarHBondContact O-CB 3.39Å; R1203-S1207 PolarHBondContact O-N 3.03Å; S1204-S1207 PolarHBondContact O-N 3.41Å; S1207-R1210 CarbonylContact O-C 3.57Å; S1207-R1210 WeakPolarHBondContact O-CB 3.27Å; S1207-R1210 PolarHBondContact O-N 3.19Å; S1207-A1211 WeakPolarHBondContact O-CB 3.48Å; S1207-A1211 PolarHBondContact O-N 3.36Å |
| 1208 | H | 78.6 | Confident | 61 | Low | 112 Ų | 112 | 103.8 Ų | 103.8 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 175.3 | -173 | 83.7 | 0 | 0 | 0 | 111.7 | S1204 R1210 A1211 M1212 | S1204-H1208 WeakPolarHBondContact O-CB 3.48Å; S1204-H1208 PolarHBondContact O-N 3.22Å; H1208-R1210 VanDerWaalsContact C-N 3.25Å; H1208-R1210 PolarHBondContact O-N 3.15Å; H1208-A1211 PolarHBondContact O-N 3.44Å; H1208-A1211 VanDerWaalsContact O-N 3.16Å; H1208-M1212 VanDerWaalsContact CE1-CE 3.45Å; H1208-M1212 WeakPolarHBondContact CE1-CE 3.37Å; H1208-M1212 WeakPolarHBondContact O-CG 3.19Å; H1208-M1212 PolarHBondContact O-N 3.02Å |
| 1209 | R | 77.8 | Confident | 63.1 | Low | 161 Ų | 161 | 100.8 Ų | 100.8 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.9 | -26.1 | 174.3 | -75.6 | -175.9 | -81.5 | -163.8 | -3 | 113.4 | A1205 R1213 | A1205-R1209 WeakPolarHBondContact O-CB 3.35Å; A1205-R1209 WeakPolarHBondContact O-CG 3.48Å; A1205-R1209 PolarHBondContact O-N 2.81Å; A1205-R1209 PolarHBondContact O-NE 3.31Å; R1209-R1213 PolarHBondContact O-N 3.48Å; R1209-R1213 VanDerWaalsContact O-N 3.16Å |
| 1210 | R | 71.1 | Confident | 65.2 | Low | 167 Ų | 167 | 102 Ų | 102 | 63% | 0.63 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -75.6 | -40.4 | 170.7 | -171.1 | -179.1 | -172.8 | -164.4 | 2.5 | 111.8 | A1206 S1207 H1208 R1213 L1214 | A1206-R1210 VanDerWaalsContact O-CB 3.27Å; A1206-R1210 WeakPolarHBondContact O-CB 3.32Å; A1206-R1210 PolarHBondContact O-N 3.21Å; S1207-R1210 CarbonylContact O-C 3.57Å; S1207-R1210 WeakPolarHBondContact O-CB 3.27Å; S1207-R1210 PolarHBondContact O-N 3.19Å; H1208-R1210 VanDerWaalsContact C-N 3.25Å; H1208-R1210 PolarHBondContact O-N 3.15Å; R1210-R1213 PolarHBondContact O-N 3.33Å; R1210-L1214 HydrophobicContact CG-CD1 4.14Å; R1210-L1214 WeakPolarHBondContact O-CB 3.47Å; R1210-L1214 VanDerWaalsContact O-CG 3.29Å; R1210-L1214 WeakPolarHBondContact O-CG 3.41Å; R1210-L1214 PolarHBondContact O-N 3.17Å |
| 1211 | A | 75.5 | Confident | 66.8 | Low | 42 Ų | 42 | 104.2 Ų | 104.2 | 35% | 0.347 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | S1207 H1208 L1214 F1215 | S1207-A1211 WeakPolarHBondContact O-CB 3.48Å; S1207-A1211 PolarHBondContact O-N 3.36Å; H1208-A1211 PolarHBondContact O-N 3.44Å; H1208-A1211 VanDerWaalsContact O-N 3.16Å; A1211-L1214 CarbonylContact O-C 3.53Å; A1211-L1214 PolarHBondContact O-N 2.95Å; A1211-F1215 PolarHBondContact O-N 3.23Å |
| 1212 | M | 74 | Confident | 67.6 | Low | 105 Ų | 105 | 107.6 Ų | 107.6 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 173.8 | -69.7 | -60.5 | 173.8 | 0 | 0 | 112 | H1208 L1214 F1215 E1216 | H1208-M1212 VanDerWaalsContact CE1-CE 3.45Å; H1208-M1212 WeakPolarHBondContact CE1-CE 3.37Å; H1208-M1212 WeakPolarHBondContact O-CG 3.19Å; H1208-M1212 PolarHBondContact O-N 3.02Å; M1212-L1214 VanDerWaalsContact C-N 3.3Å; M1212-L1214 PolarHBondContact O-N 3.37Å; M1212-F1215 WeakPolarHBondContact O-CB 3.5Å; M1212-F1215 PolarHBondContact O-N 3.38Å; M1212-E1216 WeakPolarHBondContact O-CB 3.38Å; M1212-E1216 PolarHBondContact O-N 2.94Å |
| 1213 | R | 83.6 | Confident | 68 | Low | 146 Ų | 146 | 106.7 Ų | 106.7 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.5 | -29.6 | 172.5 | -99.9 | -177.2 | -77.6 | 112.8 | -5.9 | 114.1 | R1209 R1210 E1217 | R1209-R1213 PolarHBondContact O-N 3.48Å; R1209-R1213 VanDerWaalsContact O-N 3.16Å; R1210-R1213 PolarHBondContact O-N 3.33Å; R1213-E1217 WeakPolarHBondContact O-CB 3.11Å; R1213-E1217 PolarHBondContact O-N 3.28Å |
| 1214 | L | 87.4 | Confident | 68.3 | Low | 91 Ų | 91 | 100 Ų | 100 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -75.1 | -32.8 | 173.2 | -75.5 | 168.6 | 0 | 0 | 0 | 112.1 | R1210 A1211 M1212 A1218 | R1210-L1214 HydrophobicContact CG-CD1 4.14Å; R1210-L1214 WeakPolarHBondContact O-CB 3.47Å; R1210-L1214 VanDerWaalsContact O-CG 3.29Å; R1210-L1214 WeakPolarHBondContact O-CG 3.41Å; R1210-L1214 PolarHBondContact O-N 3.17Å; A1211-L1214 CarbonylContact O-C 3.53Å; A1211-L1214 PolarHBondContact O-N 2.95Å; M1212-L1214 VanDerWaalsContact C-N 3.3Å; M1212-L1214 PolarHBondContact O-N 3.37Å; L1214-A1218 WeakPolarHBondContact O-CB 3.33Å; L1214-A1218 PolarHBondContact O-N 2.84Å |
| 1215 | F | 81.8 | Confident | 68.3 | Low | 153 Ų | 153 | 101.3 Ų | 101.3 | 67% | 0.671 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.7 | -42.1 | 168.8 | -101 | -80.1 | 0 | 0 | 0 | 111.5 | A1211 M1212 A1218 E1219 | A1211-F1215 PolarHBondContact O-N 3.23Å; M1212-F1215 WeakPolarHBondContact O-CB 3.5Å; M1212-F1215 PolarHBondContact O-N 3.38Å; F1215-A1218 PolarHBondContact O-N 2.75Å; F1215-E1219 WeakPolarHBondContact O-CB 3.29Å; F1215-E1219 PolarHBondContact O-N 3.09Å |
| 1216 | E | 84.6 | Confident | 68.2 | Low | 98 Ų | 98 | 102.5 Ų | 102.5 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 175.8 | -164.1 | -158.2 | 145.1 | 0 | 0 | 111.5 | M1212 A1218 K1220 | M1212-E1216 WeakPolarHBondContact O-CB 3.38Å; M1212-E1216 PolarHBondContact O-N 2.94Å; E1216-A1218 VanDerWaalsContact C-N 3.34Å; E1216-K1220 HydrophobicContact CG-CD 4.4Å; E1216-K1220 WeakPolarHBondContact O-CB 3.5Å; E1216-K1220 WeakPolarHBondContact O-CG 3.23Å; E1216-K1220 PolarHBondContact O-N 3.27Å; E1216-K1220 WeakPolarHBondContact OE1-CE 3.45Å; E1216-K1220 IonicContact OE1-NZ 3.6Å; E1216-K1220 PolarHBondContact OE1-NZ 3.47Å |
| 1217 | E | 76.3 | Confident | 67.4 | Low | 95 Ų | 95 | 107 Ų | 107 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -35.5 | 169.8 | -88.1 | -157.8 | 163.6 | 0 | 0 | 112.6 | R1213 R1221 | R1213-E1217 WeakPolarHBondContact O-CB 3.11Å; R1213-E1217 PolarHBondContact O-N 3.28Å; E1217-R1221 VanDerWaalsContact O-CB 3.28Å; E1217-R1221 WeakPolarHBondContact O-CB 3.43Å; E1217-R1221 VanDerWaalsContact O-CG 3.28Å; E1217-R1221 WeakPolarHBondContact O-CG 3.49Å; E1217-R1221 PolarHBondContact O-N 2.89Å; E1217-R1221 IonicContact OE2-CZ 3.26Å; E1217-R1221 IonicContact OE2-NH1 2.73Å; E1217-R1221 PolarHBondContact OE2-NH1 2.79Å; E1217-R1221 IonicContact OE2-NH2 2.7Å |
| 1218 | A | 76.5 | Confident | 65.6 | Low | 41 Ų | 41 | 108.8 Ų | 108.8 | 34% | 0.339 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.5 | -39.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1214 F1215 E1216 R1221 R1222 | L1214-A1218 WeakPolarHBondContact O-CB 3.33Å; L1214-A1218 PolarHBondContact O-N 2.84Å; F1215-A1218 PolarHBondContact O-N 2.75Å; E1216-A1218 VanDerWaalsContact C-N 3.34Å; A1218-R1221 CarbonylContact O-C 3.6Å; A1218-R1221 WeakPolarHBondContact O-CB 3.35Å; A1218-R1221 PolarHBondContact O-N 3.24Å; A1218-R1222 WeakPolarHBondContact O-CG 3.37Å; A1218-R1222 PolarHBondContact O-N 3.33Å |
| 1219 | E | 72.6 | Confident | 63.2 | Low | 86 Ų | 86 | 109.8 Ų | 109.8 | 40% | 0.402 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76.5 | -35.4 | 177.1 | -157.7 | 65.3 | -172 | 0 | 0 | 111 | F1215 R1221 R1222 Q1223 | F1215-E1219 WeakPolarHBondContact O-CB 3.29Å; F1215-E1219 PolarHBondContact O-N 3.09Å; E1219-R1221 VanDerWaalsContact C-N 3.31Å; E1219-R1221 PolarHBondContact O-N 3Å; E1219-R1222 PolarHBondContact O-N 3.46Å; E1219-R1222 IonicContact OE1-NH1 2.7Å; E1219-R1222 PolarHBondContact OE1-NH1 3.31Å; E1219-R1222 IonicContact OE2-CZ 3.13Å; E1219-R1222 IonicContact OE2-NH1 3.33Å; E1219-R1222 PolarHBondContact OE2-NH1 3.39Å; E1219-Q1223 WeakPolarHBondContact O-CB 3.35Å; E1219-Q1223 VanDerWaalsContact O-CG 3.24Å; E1219-Q1223 WeakPolarHBondContact O-CG 3.36Å; E1219-Q1223 PolarHBondContact O-N 3.01Å |
| 1220 | K | 76.4 | Confident | 60.9 | Low | 120 Ų | 120 | 108.1 Ų | 108.1 | 52% | 0.522 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -34.9 | 165.6 | -78.1 | 174 | 171.7 | 169.1 | 0 | 112 | E1216 S1224 | E1216-K1220 HydrophobicContact CG-CD 4.4Å; E1216-K1220 WeakPolarHBondContact O-CB 3.5Å; E1216-K1220 WeakPolarHBondContact O-CG 3.23Å; E1216-K1220 PolarHBondContact O-N 3.27Å; E1216-K1220 WeakPolarHBondContact OE1-CE 3.45Å; E1216-K1220 IonicContact OE1-NZ 3.6Å; E1216-K1220 PolarHBondContact OE1-NZ 3.47Å; K1220-S1224 VanDerWaalsContact O-CB 3.29Å; K1220-S1224 WeakPolarHBondContact O-CB 3.4Å; K1220-S1224 PolarHBondContact O-N 2.84Å; K1220-S1224 PolarHBondContact O-OG 3.44Å |
| 1221 | R | 69.7 | Low | 58.7 | Low | 129 Ų | 129 | 107.6 Ų | 107.6 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -49.1 | 170 | -83.5 | -177.3 | -173 | 95.1 | 9 | 111.4 | E1217 A1218 E1219 Q1223 S1224 E1225 | E1217-R1221 VanDerWaalsContact O-CB 3.28Å; E1217-R1221 WeakPolarHBondContact O-CB 3.43Å; E1217-R1221 VanDerWaalsContact O-CG 3.28Å; E1217-R1221 WeakPolarHBondContact O-CG 3.49Å; E1217-R1221 PolarHBondContact O-N 2.89Å; E1217-R1221 IonicContact OE2-CZ 3.26Å; E1217-R1221 IonicContact OE2-NH1 2.73Å; E1217-R1221 PolarHBondContact OE2-NH1 2.79Å; E1217-R1221 IonicContact OE2-NH2 2.7Å; A1218-R1221 CarbonylContact O-C 3.6Å; A1218-R1221 WeakPolarHBondContact O-CB 3.35Å; A1218-R1221 PolarHBondContact O-N 3.24Å; E1219-R1221 VanDerWaalsContact C-N 3.31Å; E1219-R1221 PolarHBondContact O-N 3Å; R1221-Q1223 VanDerWaalsContact C-N 3.31Å; R1221-Q1223 PolarHBondContact O-N 2.87Å; R1221-S1224 WeakPolarHBondContact CA-OG 3.49Å; R1221-S1224 CarbonylContact O-C 3.57Å; R1221-S1224 PolarHBondContact O-N 2.79Å; R1221-S1224 VanDerWaalsContact O-N 3.1Å; R1221-S1224 PolarHBondContact O-OG 2.75Å; R1221-E1225 WeakPolarHBondContact O-CB 3.37Å; R1221-E1225 WeakPolarHBondContact O-CG 3.18Å; R1221-E1225 PolarHBondContact O-N 2.93Å |
| 1222 | R | 53 | Low | 56.3 | Low | 153 Ų | 153 | 112.5 Ų | 112.5 | 58% | 0.577 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.3 | -37.2 | 177 | -71.5 | 178.2 | 75.3 | -138.6 | 4.2 | 112.6 | A1218 E1219 E1225 S1226 | A1218-R1222 WeakPolarHBondContact O-CG 3.37Å; A1218-R1222 PolarHBondContact O-N 3.33Å; E1219-R1222 PolarHBondContact O-N 3.46Å; E1219-R1222 IonicContact OE1-NH1 2.7Å; E1219-R1222 PolarHBondContact OE1-NH1 3.31Å; E1219-R1222 IonicContact OE2-CZ 3.13Å; E1219-R1222 IonicContact OE2-NH1 3.33Å; E1219-R1222 PolarHBondContact OE2-NH1 3.39Å; R1222-E1225 PolarHBondContact O-N 2.91Å; R1222-S1226 WeakPolarHBondContact O-CB 3.3Å; R1222-S1226 PolarHBondContact O-N 2.75Å; R1222-S1226 PolarHBondContact O-OG 3.27Å |
| 1223 | Q | 50.1 | Low | 53.9 | Low | 102 Ų | 102 | 115 Ų | 115 | 48% | 0.477 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.8 | -50.1 | 170.7 | -72.6 | 171.8 | 8.7 | 0 | 0 | 110.4 | E1219 R1221 E1225 S1226 F1227 | E1219-Q1223 WeakPolarHBondContact O-CB 3.35Å; E1219-Q1223 VanDerWaalsContact O-CG 3.24Å; E1219-Q1223 WeakPolarHBondContact O-CG 3.36Å; E1219-Q1223 PolarHBondContact O-N 3.01Å; R1221-Q1223 VanDerWaalsContact C-N 3.31Å; R1221-Q1223 PolarHBondContact O-N 2.87Å; Q1223-E1225 VanDerWaalsContact C-N 3.26Å; Q1223-E1225 PolarHBondContact O-N 3.35Å; Q1223-S1226 WeakPolarHBondContact CA-OG 3.49Å; Q1223-S1226 CarbonylContact O-C 3.39Å; Q1223-S1226 PolarHBondContact O-N 3.03Å; Q1223-S1226 VanDerWaalsContact O-N 3.11Å; Q1223-S1226 PolarHBondContact O-OG 3.06Å; Q1223-F1227 VanDerWaalsContact O-CD2 3.32Å; Q1223-F1227 WeakPolarHBondContact O-CD2 3.5Å; Q1223-F1227 PolarHBondContact O-N 2.85Å |
| 1224 | S | 45.9 | Very low | 51 | Low | 49 Ų | 49 | 112.2 Ų | 112.2 | 34% | 0.343 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.6 | -29.5 | 176.4 | 74.4 | 0 | 0 | 0 | 0 | 113.6 | K1220 R1221 N1228 | K1220-S1224 VanDerWaalsContact O-CB 3.29Å; K1220-S1224 WeakPolarHBondContact O-CB 3.4Å; K1220-S1224 PolarHBondContact O-N 2.84Å; K1220-S1224 PolarHBondContact O-OG 3.44Å; R1221-S1224 WeakPolarHBondContact CA-OG 3.49Å; R1221-S1224 CarbonylContact O-C 3.57Å; R1221-S1224 PolarHBondContact O-N 2.79Å; R1221-S1224 VanDerWaalsContact O-N 3.1Å; R1221-S1224 PolarHBondContact O-OG 2.75Å; S1224-N1228 WeakPolarHBondContact O-CB 3.47Å; S1224-N1228 PolarHBondContact O-N 2.81Å; S1224-N1228 PolarHBondContact O-ND2 3.22Å |
| 1225 | E | 41.3 | Very low | 47.9 | Very low | 110 Ų | 110 | 114 Ų | 114 | 51% | 0.514 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -79.5 | -31.5 | 174.8 | -74.2 | 172.6 | 179.5 | 0 | 0 | 111.3 | R1221 R1222 Q1223 N1229 | R1221-E1225 WeakPolarHBondContact O-CB 3.37Å; R1221-E1225 WeakPolarHBondContact O-CG 3.18Å; R1221-E1225 PolarHBondContact O-N 2.93Å; R1222-E1225 PolarHBondContact O-N 2.91Å; Q1223-E1225 VanDerWaalsContact C-N 3.26Å; Q1223-E1225 PolarHBondContact O-N 3.35Å; E1225-N1229 PolarHBondContact O-N 2.92Å; E1225-N1229 VanDerWaalsContact O-N 3.16Å; E1225-N1229 PolarHBondContact O-ND2 3.27Å |
| 1226 | S | 37.2 | Very low | 45.2 | Very low | 63 Ų | 63 | 111.7 Ų | 111.7 | 44% | 0.441 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.3 | -33.3 | 167.6 | 63.3 | 0 | 0 | 0 | 0 | 112.8 | R1222 Q1223 | R1222-S1226 WeakPolarHBondContact O-CB 3.3Å; R1222-S1226 PolarHBondContact O-N 2.75Å; R1222-S1226 PolarHBondContact O-OG 3.27Å; Q1223-S1226 WeakPolarHBondContact CA-OG 3.49Å; Q1223-S1226 CarbonylContact O-C 3.39Å; Q1223-S1226 PolarHBondContact O-N 3.03Å; Q1223-S1226 VanDerWaalsContact O-N 3.11Å; Q1223-S1226 PolarHBondContact O-OG 3.06Å |
| 1227 | F | 34 | Very low | 42.1 | Very low | 146 Ų | 146 | 112.5 Ų | 112.5 | 64% | 0.64 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -74.8 | -40 | 173.2 | -85.6 | -72.1 | 0 | 0 | 0 | 112.3 | Q1223 N1229 L1230 Q1231 | Q1223-F1227 VanDerWaalsContact O-CD2 3.32Å; Q1223-F1227 WeakPolarHBondContact O-CD2 3.5Å; Q1223-F1227 PolarHBondContact O-N 2.85Å; F1227-N1229 PolarHBondContact O-N 3.19Å; F1227-L1230 CarbonylContact O-C 3.56Å; F1227-L1230 PolarHBondContact O-N 3.45Å; F1227-Q1231 PolarHBondContact O-N 3.48Å |
| 1228 | N | 30.1 | Very low | 39.7 | Very low | 115 Ų | 115 | 113.9 Ų | 113.9 | 62% | 0.615 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.4 | -13.1 | 176.5 | -72.8 | -15.2 | 0 | 0 | 0 | 113.6 | S1224 | S1224-N1228 WeakPolarHBondContact O-CB 3.47Å; S1224-N1228 PolarHBondContact O-N 2.81Å; S1224-N1228 PolarHBondContact O-ND2 3.22Å |
| 1229 | N | 29.2 | Very low | 37.1 | Very low | 134 Ų | 134 | 117.6 Ų | 117.6 | 72% | 0.717 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | 4.2 | 167.4 | -76.1 | -70.3 | 0 | 0 | 0 | 113.4 | E1225 F1227 | E1225-N1229 PolarHBondContact O-N 2.92Å; E1225-N1229 VanDerWaalsContact O-N 3.16Å; E1225-N1229 PolarHBondContact O-ND2 3.27Å; F1227-N1229 PolarHBondContact O-N 3.19Å |
| 1230 | L | 27.6 | Very low | 34.6 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 65% | 0.654 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | 2.6 | 177.8 | -76.1 | 171.8 | 0 | 0 | 0 | 114.7 | F1227 I1232 | F1227-L1230 CarbonylContact O-C 3.56Å; F1227-L1230 PolarHBondContact O-N 3.45Å; L1230-I1232 PolarHBondContact O-N 3.17Å |
| 1231 | Q | 24.9 | Very low | 32 | Very low | 157 Ų | 157 | 118.7 Ų | 118.7 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -83.9 | 13.6 | 164.7 | -84.4 | -159.9 | -21.6 | 0 | 0 | 114.4 | F1227 | F1227-Q1231 PolarHBondContact O-N 3.48Š|
| 1232 | I | 26.1 | Very low | 29.6 | Very low | 145 Ų | 145 | 116 Ų | 116 | 74% | 0.744 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -113.5 | 122.6 | 153.8 | -58.3 | 179 | 0 | 0 | 0 | 105.6 | L1230 | L1230-I1232 PolarHBondContact O-N 3.17Š|
| 1233 | L | 24.1 | Very low | 28.4 | Very low | 156 Ų | 156 | 115.3 Ų | 115.3 | 82% | 0.817 | 65% | 0.654 | S | S | * | * | trans | 83.4 | 42.2 | -165 | -56 | 167.3 | 0 | 0 | 0 | 116.2 | ||||
| 1234 | S | 21.8 | Very low | 26.9 | Very low | 89 Ų | 89 | 115.9 Ų | 115.9 | 62% | 0.622 | 65% | 0.651 | S | S | * | * | trans | -91.5 | 140.9 | 133.9 | -65.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1235 | T | 23.7 | Very low | 25.9 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 78% | 0.779 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 65.2 | 133.3 | -160.1 | 75.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1236 | S | 23.3 | Very low | 25.2 | Very low | 105 Ų | 105 | 119.2 Ų | 119.2 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | cis | -137.5 | 133.4 | -6.2 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1237 | S | 21.2 | Very low | 24.6 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 81% | 0.811 | 69% | 0.69 | S | S | * | * | trans | -86.3 | 117.6 | 149.6 | 54.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1238 | T | 24.3 | Very low | 24.1 | Very low | 123 Ų | 123 | 125.1 Ų | 125.1 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | -149.2 | 119 | 146.5 | 36.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1239 | P | 22.2 | Very low | 23.8 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | trans | -76.6 | -178.3 | 178.8 | 33.5 | -36.4 | 0 | 0 | 0 | 112.4 | ||||
| 1240 | L | 21.3 | Very low | 23.6 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 80% | 0.796 | 70% | 0.703 | S | S | * | * | trans | -41.8 | 129.2 | -178 | -68.9 | 63 | 0 | 0 | 0 | 115 | ||||
| 1241 | S | 21.6 | Very low | 23.4 | Very low | 78 Ų | 78 | 125.9 Ų | 125.9 | 55% | 0.545 | 70% | 0.704 | S | S | . | * | trans | -141.6 | 129.5 | 148.2 | 61.5 | 0 | 0 | 0 | 0 | 112.3 | K893 | K893-S1241 WeakPolarHBondContact CE-O 3.4Å; K893-S1241 PolarHBondContact NZ-O 3.31Å | ||
| 1242 | S | 19.4 | Very low | 23.3 | Very low | 71 Ų | 71 | 126.4 Ų | 126.4 | 50% | 0.497 | 71% | 0.706 | S | S | . | * | trans | 59.1 | 165.1 | 135.4 | -53.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 1243 | I | 26.6 | Very low | 23.2 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 72% | 0.718 | 71% | 0.707 | S | S | * | * | trans | 69.3 | 118.8 | 171.2 | -51.3 | -171.8 | 0 | 0 | 0 | 115.1 | ||||
| 1244 | R | 20 | Very low | 23.1 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 43% | 0.426 | 70% | 0.699 | S | S | . | * | cis | 100 | 93 | -0.4 | 163.5 | 168.1 | -65.8 | -148.1 | 4.7 | 117.5 | S890 N891 I892 | S890-R1244 VanDerWaalsContact C-NE 3.26Å; S890-R1244 CarbonylContact O-C 3.34Å; S890-R1244 WeakPolarHBondContact O-CA 3.39Å; S890-R1244 WeakPolarHBondContact O-CB 3.48Å; S890-R1244 WeakPolarHBondContact O-CG 3.49Å; N891-R1244 VanDerWaalsContact C-CA 3.46Å; N891-R1244 WeakPolarHBondContact O-CA 3.45Å; N891-R1244 PolarHBondContact O-N 2.85Å; N891-R1244 PolarHBondContact OD1-NH2 2.91Å; I892-R1244 HydrophobicContact CG1-CB 3.88Å | ||
| 1245 | I | 24.5 | Very low | 23.3 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 44% | 0.436 | 70% | 0.704 | S | S | . | * | trans | 60.4 | 127.7 | 176.9 | -83.7 | -174.6 | 0 | 0 | 0 | 116.7 | S890 | S890-I1245 VanDerWaalsContact N-CD1 3.25Å; S890-I1245 PolarHBondContact O-N 3.3Å; S890-I1245 WeakPolarHBondContact OG-CD1 3.42Å; S890-I1245 WeakPolarHBondContact OG-CG1 3.34Å | ||
| 1246 | T | 26.9 | Very low | 23.2 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 89% | 0.89 | 70% | 0.698 | S | S | * | * | -143.4 | 142.4 | 115.7 | 22.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1247 | K | 23 | Very low | 23.3 | Very low | 179 Ų | 179 | 126.1 Ų | 126.1 | 78% | 0.778 | 70% | 0.698 | S | S | * | * | trans | -118.5 | 161.6 | 165.3 | -168.9 | -174.6 | -178.3 | -177 | 0 | 105.8 | ||||
| 1248 | M | 25.4 | Very low | 23.3 | Very low | 153 Ų | 153 | 127.5 Ų | 127.5 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | trans | 73.3 | 113.4 | 174.8 | -66.5 | 178.8 | 162.9 | 0 | 0 | 117.1 | ||||
| 1249 | N | 23.5 | Very low | 23.4 | Very low | 139 Ų | 139 | 133.4 Ų | 133.4 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | 54.8 | 149.9 | 111.6 | -57.1 | 12.5 | 0 | 0 | 0 | 122.9 | |||||
| 1250 | N | 23.5 | Very low | 23.5 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | trans | 100.6 | 142.8 | 146.7 | -72.4 | -2.8 | 0 | 0 | 0 | 120.2 | ||||
| 1251 | T | 23.9 | Very low | 23.6 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | trans | 60.1 | 89.5 | 152.7 | 47.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1252 | E | 22.9 | Very low | 23.7 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | 86.2 | 158.7 | 108.9 | -80.3 | 167 | -159.2 | 0 | 0 | 122.2 | |||||
| 1253 | L | 23.5 | Very low | 24.2 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | trans | 46.5 | 79.8 | 175.7 | -83.1 | 73.4 | 0 | 0 | 0 | 117.9 | ||||
| 1254 | S | 22.8 | Very low | 24 | Very low | 91 Ų | 91 | 137.2 Ų | 137.2 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | 15.7 | 134.1 | 109.2 | 69.8 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1255 | N | 25.4 | Very low | 24.5 | Very low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | 33.2 | 137.8 | 114.2 | -57.7 | -2.7 | 0 | 0 | 0 | 118.4 | |||||
| 1256 | N | 22.5 | Very low | 24.5 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | cis | -166.9 | 168.8 | 10.4 | -124 | -12 | 0 | 0 | 0 | 112.7 | N1258 | N1256-N1258 PolarHBondContact O-N 2.81Š| ||
| 1257 | T | 25.9 | Very low | 24.4 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | trans | -54.9 | 132.1 | 151.5 | 51.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1258 | N | 21.4 | Very low | 24.5 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 74% | 0.738 | S | S | * | * | trans | -145.7 | 96.9 | 155.4 | -105.4 | -29.1 | 0 | 0 | 0 | 111.7 | N1256 | N1256-N1258 PolarHBondContact O-N 2.81Š| ||
| 1259 | R | 25 | Very low | 24.4 | Very low | 247 Ų | 247 | 136.1 Ų | 136.1 | 93% | 0.932 | 73% | 0.733 | S | S | * | * | trans | -86 | 97.5 | 156.1 | -82.8 | -176.8 | 170 | -171 | -2 | 108.2 | ||||
| 1260 | L | 24.2 | Very low | 24.5 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | trans | -142.1 | 146.8 | 153.5 | -68.3 | 177.9 | 0 | 0 | 0 | 105.8 | ||||
| 1261 | N | 24.1 | Very low | 24.4 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | cis | -145.6 | -166.9 | 11 | -138.5 | -12.4 | 0 | 0 | 0 | 111.7 | ||||
| 1262 | S | 24.6 | Very low | 24.3 | Very low | 79 Ų | 79 | 136.4 Ų | 136.4 | 55% | 0.552 | 74% | 0.744 | S | S | * | * | trans | -3.4 | 141.5 | 156.1 | 64.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 1263 | D | 29 | Very low | 24.4 | Very low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | -155.8 | 164.1 | 67.6 | -107.3 | -57.1 | 0 | 0 | 0 | 119.6 | |||||
| 1264 | I | 22.7 | Very low | 24.9 | Very low | 138 Ų | 138 | 131 Ų | 131 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | trans | -86.5 | 135.9 | -168.2 | -64.1 | 155 | 0 | 0 | 0 | 111.3 | ||||
| 1265 | H | 29.8 | Very low | 24.9 | Very low | 193 Ų | 193 | 133 Ų | 133 | 89% | 0.894 | 75% | 0.754 | S | S | * | * | trans | -153.1 | 125 | 147.7 | -106.8 | -73.9 | 0 | 0 | 0 | 111.9 | ||||
| 1266 | P | 24.3 | Very low | 24.8 | Very low | 100 Ų | 100 | 133.7 Ų | 133.7 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | trans | -95.4 | 163.1 | 175 | 37.3 | -34.3 | 0 | 0 | 0 | 112.4 | ||||
| 1267 | V | 25.9 | Very low | 24.9 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 76% | 0.758 | 76% | 0.757 | S | S | * | * | trans | 167.1 | 146.9 | 136.1 | 150.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1268 | N | 25.2 | Very low | 25.1 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | 68.4 | 93.7 | 163 | -74.6 | -5.3 | 0 | 0 | 0 | 122.2 | ||||
| 1269 | S | 23 | Very low | 25.1 | Very low | 92 Ų | 92 | 130.4 Ų | 130.4 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | 82.8 | 122.1 | 106.2 | 72.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 1270 | T | 24.4 | Very low | 25 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | 90.3 | 125 | 131.4 | 45.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1271 | L | 21.3 | Very low | 25.1 | Very low | 152 Ų | 152 | 124.6 Ų | 124.6 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | 78 | 97.4 | 154.1 | -88.9 | 73.1 | 0 | 0 | 0 | 121 | ||||
| 1272 | S | 22.2 | Very low | 25.2 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | 58.4 | 112.9 | 124.3 | -54.9 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1273 | G | 25.4 | Very low | 25 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | trans | -86.1 | -122 | 166 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1274 | P | 33.8 | Very low | 24.7 | Very low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | cis | -115.1 | 163.5 | 7.4 | 40.3 | -30.1 | 0 | 0 | 0 | 114.9 | ||||
| 1275 | V | 21.9 | Very low | 24.6 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -72.7 | 143.7 | 160.7 | 169.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1276 | L | 24.7 | Very low | 24.3 | Very low | 149 Ų | 149 | 118.6 Ų | 118.6 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | trans | -123.4 | 108.7 | 153.4 | -80.1 | 179.7 | 0 | 0 | 0 | 111.2 | ||||
| 1277 | T | 23.5 | Very low | 24.2 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | trans | 27.6 | 130.5 | 137.9 | 56 | 0 | 0 | 0 | 0 | 119 | ||||
| 1278 | P | 29.8 | Very low | 24 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | -114.9 | 126.8 | 110.5 | 32.3 | -33.2 | 0 | 0 | 0 | 112.4 | |||||
| 1279 | A | 22.2 | Very low | 23.8 | Very low | 81 Ų | 81 | 127.3 Ų | 127.3 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | trans | -66.1 | 147.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1280 | V | 22.2 | Very low | 24 | Very low | 131 Ų | 131 | 129 Ų | 129 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | 52.8 | 107.4 | 58.1 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1281 | V | 26.5 | Very low | 24.2 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | -176.7 | 138.2 | 127 | 144.9 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 1282 | P | 26.4 | Very low | 24.2 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | trans | -92.2 | -175.9 | -174.7 | 38.2 | -37.4 | 0 | 0 | 0 | 113.6 | ||||
| 1283 | A | 21.1 | Very low | 24.1 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 69% | 0.694 | 74% | 0.743 | S | S | * | * | trans | -9.6 | 139.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1284 | M | 22.7 | Very low | 23.9 | Very low | 175 Ų | 175 | 128 Ų | 128 | 86% | 0.862 | 74% | 0.743 | S | S | * | * | -159.4 | 162.4 | 123.6 | -110.1 | -60.3 | 109.3 | 0 | 0 | 112.9 | |||||
| 1285 | S | 21.2 | Very low | 23.3 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | trans | -100.6 | 150.5 | -176.5 | 53.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1286 | S | 22.9 | Very low | 23.3 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -177.6 | 136.4 | 132.9 | -87.3 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1287 | Q | 22.9 | Very low | 23.1 | Very low | 181 Ų | 181 | 127.2 Ų | 127.2 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | 44.9 | 90.1 | 135.4 | -61.1 | 177.4 | -16.3 | 0 | 0 | 122.2 | ||||
| 1288 | R | 20.4 | Very low | 23.1 | Very low | 214 Ų | 214 | 131.2 Ų | 131.2 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | -5.7 | 128.2 | 121.3 | -177.2 | -169 | -169.1 | 175.3 | 5.2 | 116.8 | |||||
| 1289 | F | 22.5 | Very low | 22.7 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | 173.9 | 133.7 | 122.1 | -103 | -87.7 | 0 | 0 | 0 | 115.1 | |||||
| 1290 | I | 25.3 | Very low | 22.6 | Very low | 127 Ų | 127 | 131 Ų | 131 | 65% | 0.651 | 75% | 0.751 | S | S | * | * | trans | -32.5 | 177.8 | 158.5 | -4.3 | 167 | 0 | 0 | 0 | 117.5 | ||||
| 1291 | P | 30.4 | Very low | 22.6 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 57% | 0.571 | 75% | 0.749 | S | S | * | * | cis | -132.9 | 171.9 | -20.3 | 40.7 | -23.9 | 0 | 0 | 0 | 115.4 | I1375 | P1291-I1375 WeakPolarHBondContact O-CA 3.33Å; P1291-I1375 WeakPolarHBondContact O-CB 3.47Å; P1291-I1375 VanDerWaalsContact O-CG1 3.3Å; P1291-I1375 WeakPolarHBondContact O-CG1 3.25Å; P1291-I1375 WeakPolarHBondContact O-CG2 3.24Å | ||
| 1292 | G | 20.1 | Very low | 22.2 | Very low | 55 Ų | 55 | 135.9 Ų | 135.9 | 57% | 0.567 | 75% | 0.751 | S | S | * | * | trans | -114.5 | 167.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1293 | K | 20.8 | Very low | 21.9 | Very low | 197 Ų | 197 | 134.9 Ų | 134.9 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | trans | 172.5 | 118.7 | 153.8 | -102.5 | 173.9 | -176.1 | -177.2 | 0 | 114.8 | ||||
| 1294 | S | 20.9 | Very low | 22 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | 29.2 | 128.3 | 141.7 | 62.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1295 | S | 20.5 | Very low | 22 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | 175.8 | 142.8 | 112.1 | -169.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1296 | A | 22 | Very low | 21.9 | Very low | 88 Ų | 88 | 142.8 Ų | 142.8 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 63.9 | 171.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1297 | K | 22.1 | Very low | 22.1 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 81% | 0.809 | 76% | 0.755 | S | S | * | * | cis | -163.9 | 164.2 | 23.8 | -149.2 | 167.4 | -168.7 | 171.4 | 0 | 111.1 | ||||
| 1298 | K | 23.1 | Very low | 22 | Very low | 192 Ų | 192 | 141.3 Ų | 141.3 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | 64.8 | 123.8 | 171.6 | -60.8 | -178.6 | 175.6 | -177.7 | 0 | 115.4 | ||||
| 1299 | S | 20.2 | Very low | 22.1 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | cis | 73.1 | 118.5 | 45.5 | -166.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1300 | A | 20.5 | Very low | 22.1 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -42 | 155.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1301 | N | 21.5 | Very low | 22 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | -163.8 | 134.1 | 112.8 | -127.3 | -25.6 | 0 | 0 | 0 | 112.8 | |||||
| 1302 | R | 19 | Very low | 21.7 | Very low | 228 Ų | 228 | 141.1 Ų | 141.1 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | 60.8 | 157.3 | 161 | -63.5 | 171.2 | -178.1 | -176.9 | -3.8 | 115.5 | ||||
| 1303 | S | 21 | Very low | 21.9 | Very low | 93 Ų | 93 | 144.6 Ų | 144.6 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | cis | -150.7 | 155.1 | -0.7 | 38.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1304 | Y | 22.7 | Very low | 22.1 | Very low | 205 Ų | 205 | 140.8 Ų | 140.8 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | -168.6 | 161 | 123.8 | -104.6 | -66 | 0 | 0 | 0 | 110.4 | |||||
| 1305 | E | 21.8 | Very low | 22.4 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 73% | 0.729 | 76% | 0.755 | S | S | * | * | trans | -63.8 | 145.4 | -163 | -70.1 | 109.8 | 164.2 | 0 | 0 | 115.7 | V1307 | E1305-V1307 HydrophobicContact CB-CG2 4.22Š| ||
| 1306 | I | 19.5 | Very low | 22.5 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | trans | -99 | 112.5 | 152 | -61.6 | 170.7 | 0 | 0 | 0 | 105.7 | ||||
| 1307 | V | 26 | Very low | 22.5 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | -122.8 | 128.7 | 164.5 | 174.5 | 0 | 0 | 0 | 0 | 106.5 | E1305 | E1305-V1307 HydrophobicContact CB-CG2 4.22Š| ||
| 1308 | N | 22 | Very low | 22.7 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | trans | -82.8 | 145 | 174.5 | -49.8 | -57.4 | 0 | 0 | 0 | 108.9 | ||||
| 1309 | D | 22.1 | Very low | 22.9 | Very low | 164 Ų | 164 | 135 Ų | 135 | 88% | 0.877 | 74% | 0.742 | S | S | * | * | trans | 161.1 | 141.1 | 138.2 | -83.2 | -12.2 | 0 | 0 | 0 | 109.6 | ||||
| 1310 | A | 23 | Very low | 23.3 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 76% | 0.76 | 74% | 0.74 | S | S | * | * | cis | -148.7 | 164.9 | -13.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1311 | D | 22.9 | Very low | 23.4 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | trans | -52.2 | 150.9 | 169.7 | -134.8 | -6.8 | 0 | 0 | 0 | 113.2 | ||||
| 1312 | R | 23.2 | Very low | 23.7 | Very low | 199 Ų | 199 | 140.2 Ų | 140.2 | 75% | 0.751 | 75% | 0.749 | S | S | * | * | trans | 71 | 159.6 | 146 | -64 | 163.8 | -176.2 | -118.6 | -6.4 | 119.1 | ||||
| 1313 | L | 25 | Very low | 23.9 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 67% | 0.665 | 74% | 0.741 | S | S | * | * | cis | -168.5 | 171.9 | -19.7 | -110.8 | 171.8 | 0 | 0 | 0 | 109.5 | ||||
| 1314 | L | 24.4 | Very low | 24 | Very low | 117 Ų | 117 | 135 Ų | 135 | 61% | 0.613 | 75% | 0.747 | S | S | * | * | trans | 64.6 | 136.1 | 153.9 | -70.4 | 154.9 | 0 | 0 | 0 | 116.6 | N1316 | L1314-N1316 HydrophobicContact CD2-CB 4.49Š| ||
| 1315 | N | 27 | Very low | 24.5 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | cis | -125.4 | 155.5 | 21.5 | -69.5 | -61.4 | 0 | 0 | 0 | 111.3 | ||||
| 1316 | N | 23.1 | Very low | 24.6 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | cis | 72.1 | 135.3 | 45 | -86.1 | 2 | 0 | 0 | 0 | 115.4 | L1314 | L1314-N1316 HydrophobicContact CD2-CB 4.49Š| ||
| 1317 | S | 23.1 | Very low | 25 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | trans | 61.4 | 138 | -177.4 | 61 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1318 | G | 26.4 | Very low | 25 | Very low | 57 Ų | 57 | 131.2 Ų | 131.2 | 59% | 0.588 | 75% | 0.753 | S | S | * | * | cis | -172.4 | -157.8 | -3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1319 | T | 25.7 | Very low | 25.3 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | trans | 44.4 | 119.5 | 137.3 | 55.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1320 | D | 29.4 | Very low | 25.8 | Very low | 146 Ų | 146 | 131 Ų | 131 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | cis | -151.2 | 165.2 | 13.8 | -76.2 | -46.7 | 0 | 0 | 0 | 112.8 | ||||
| 1321 | D | 23 | Very low | 26 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -59.8 | 148.6 | 161.2 | -60.4 | -79.2 | 0 | 0 | 0 | 111.6 | ||||
| 1322 | N | 26.8 | Very low | 26.2 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | -165.3 | 150.3 | 122.7 | -109.4 | -68.3 | 0 | 0 | 0 | 114.5 | |||||
| 1323 | S | 23.7 | Very low | 26.3 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -83.1 | 136.3 | -169.8 | 57.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 1324 | S | 23.2 | Very low | 26.4 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | 169.5 | 134.4 | 118.1 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1325 | P | 32.3 | Very low | 26.5 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | -129.9 | 159 | 82.5 | 36 | -25.5 | 0 | 0 | 0 | 114.2 | |||||
| 1326 | K | 25.3 | Very low | 26.6 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | trans | -110.3 | 166.8 | 171.6 | -72.5 | -180 | 176.1 | 176.6 | 0 | 110 | ||||
| 1327 | T | 26.7 | Very low | 26.4 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | 72.9 | 147.7 | 169.6 | 78.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1328 | P | 27.1 | Very low | 26.3 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | cis | -126.8 | 165.7 | -37.4 | 35.9 | -22.6 | 0 | 0 | 0 | 114.1 | ||||
| 1329 | T | 27.1 | Very low | 26.4 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | trans | -66.9 | 152.4 | 172 | 44.9 | 0 | 0 | 0 | 0 | 113.2 | F1331 | T1329-F1331 HydrophobicContact CG2-CD2 4.45Š| ||
| 1330 | N | 34 | Very low | 26.7 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | trans | -122.6 | 122.4 | 156.1 | -157 | -5.4 | 0 | 0 | 0 | 108.2 | ||||
| 1331 | F | 26.4 | Very low | 26.8 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | trans | -157.6 | 151.8 | -165.9 | -117.6 | -78.2 | 0 | 0 | 0 | 109.7 | T1329 | T1329-F1331 HydrophobicContact CG2-CD2 4.45Š| ||
| 1332 | G | 27.7 | Very low | 27.6 | Very low | 59 Ų | 59 | 138.4 Ų | 138.4 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | trans | 89.9 | 141 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1333 | S | 25.8 | Very low | 27.8 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | cis | 85 | 86.7 | 27.6 | 83.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1334 | D | 25.5 | Very low | 28.7 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 55% | 0.551 | 78% | 0.78 | S | S | * | * | trans | -151.1 | 139.3 | 156 | -102.3 | -25.9 | 0 | 0 | 0 | 110 | K1336 T1338 Q1339 | D1334-K1336 PolarHBondContact O-N 3.1Å; D1334-T1338 WeakPolarHBondContact OD1-CA 3.26Å; D1334-T1338 PolarHBondContact OD1-N 3.39Å; D1334-T1338 WeakPolarHBondContact OD2-CA 3.48Å; D1334-T1338 PolarHBondContact OD2-N 3Å; D1334-Q1339 PolarHBondContact OD1-N 2.82Å | ||
| 1335 | K | 27.1 | Very low | 29 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -102.5 | 57.6 | -171 | -164.9 | -169.6 | 175.6 | -174.2 | 0 | 111.1 | Q1337 | K1335-Q1337 PolarHBondContact N-O 3.35Å; K1335-Q1337 PolarHBondContact O-N 3.06Å; K1335-Q1337 PolarHBondContact O-OE1 2.89Å |
| 1336 | K | 28.8 | Very low | 29 | Very low | 205 Ų | 205 | 141.4 Ų | 141.4 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 64.4 | -8.2 | -167.8 | -49.3 | -175 | 176.7 | -169.9 | 0 | 115.1 | D1334 | D1334-K1336 PolarHBondContact O-N 3.1Š|
| 1337 | Q | 19.2 | Very low | 29.1 | Very low | 132 Ų | 132 | 137 Ų | 137 | 62% | 0.617 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -140.3 | 118.7 | 168.1 | -69.8 | 90.4 | 13.9 | 0 | 0 | 103.8 | K1335 | K1335-Q1337 PolarHBondContact N-O 3.35Å; K1335-Q1337 PolarHBondContact O-N 3.06Å; K1335-Q1337 PolarHBondContact O-OE1 2.89Å |
| 1338 | T | 21.5 | Very low | 29.3 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 64% | 0.644 | 72% | 0.723 | S | S | * | * | 66.4 | 59.7 | 76.6 | 58.2 | 0 | 0 | 0 | 0 | 114.8 | D1334 | D1334-T1338 WeakPolarHBondContact OD1-CA 3.26Å; D1334-T1338 PolarHBondContact OD1-N 3.39Å; D1334-T1338 WeakPolarHBondContact OD2-CA 3.48Å; D1334-T1338 PolarHBondContact OD2-N 3Å | |||
| 1339 | Q | 28.3 | Very low | 29.3 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 77% | 0.766 | 71% | 0.714 | S | S | * | * | trans | -156.7 | 108.5 | 164.1 | -114.2 | 156.9 | 42 | 0 | 0 | 117.5 | D1334 | D1334-Q1339 PolarHBondContact OD1-N 2.82Š| ||
| 1340 | S | 31.2 | Very low | 29.2 | Very low | 112 Ų | 112 | 135 Ų | 135 | 78% | 0.783 | 70% | 0.702 | S | S | * | * | trans | 84.1 | 149.6 | 148 | 76.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1341 | Q | 31.7 | Very low | 28.7 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 91% | 0.911 | 69% | 0.685 | S | S | * | * | trans | -128.2 | 141.5 | 176.6 | -65.1 | 175.9 | -27 | 0 | 0 | 110.7 | ||||
| 1342 | S | 40.9 | Very low | 28.6 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 90% | 0.895 | 68% | 0.681 | S | S | * | * | trans | -169.2 | 175 | 161.4 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1343 | Q | 31.3 | Very low | 28.4 | Very low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | trans | -103 | 166.9 | -162.9 | -59.4 | 170.5 | -41.2 | 0 | 0 | 116.2 | ||||
| 1344 | Q | 42 | Very low | 28.5 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 69% | 0.693 | S | S | * | * | trans | 120.2 | 169.1 | 161.6 | -71.7 | -179.8 | 5.7 | 0 | 0 | 114.8 | ||||
| 1345 | Q | 29.8 | Very low | 28.5 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 53% | 0.528 | 70% | 0.701 | S | S | . | * | -167.9 | 166.2 | -54.5 | -145.7 | 168.4 | -3.5 | 0 | 0 | 108.7 | |||||
| 1346 | F | 32.1 | Very low | 28.4 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 38% | 0.377 | 70% | 0.699 | S | S | . | * | trans | 71.2 | 106.1 | 162.3 | -61.3 | -53.7 | 0 | 0 | 0 | 126.4 | H1182 N1183 N1184 | H1182-F1346 WeakPolarHBondContact O-CZ 3.4Å; N1183-F1346 VanDerWaalsContact C-CE2 3.42Å; N1183-F1346 VanDerWaalsContact O-CE2 3.24Å; N1183-F1346 WeakPolarHBondContact O-CE2 3.4Å; N1183-F1346 WeakPolarHBondContact O-CZ 3.42Å; N1184-F1346 VanDerWaalsContact N-CD1 3.26Å; N1184-F1346 WeakPolarHBondContact O-CD2 3.37Å; N1184-F1346 VanDerWaalsContact O-CG 3.27Å; N1184-F1346 WeakPolarHBondContact O-CG 3.41Å | ||
| 1347 | T | 25.9 | Very low | 28.2 | Very low | 90 Ų | 90 | 126.9 Ų | 126.9 | 55% | 0.552 | 69% | 0.691 | S | S | * | * | 19.8 | 143.8 | 116 | 62.2 | 0 | 0 | 0 | 0 | 122.4 | D1185 | D1185-T1347 CarbonylContact C-O 3.49Š| |||
| 1348 | K | 32.7 | Very low | 28.5 | Very low | 135 Ų | 135 | 126 Ų | 126 | 59% | 0.587 | 70% | 0.699 | S | S | * | * | trans | -150.8 | 124.1 | 162.2 | -81.5 | -152.9 | 156.4 | -80.2 | 0 | 114.9 | D1185 S1186 A1187 L1188 | D1185-K1348 WeakPolarHBondContact O-CE 3.39Å; D1185-K1348 WeakPolarHBondContact O-CG 3.49Å; D1185-K1348 PolarHBondContact O-NZ 2.99Å; S1186-K1348 VanDerWaalsContact C-C 3.46Å; S1186-K1348 VanDerWaalsContact C-CG 3.45Å; S1186-K1348 VanDerWaalsContact O-CB 3.27Å; S1186-K1348 WeakPolarHBondContact O-CB 3.25Å; S1186-K1348 WeakPolarHBondContact O-CD 3.29Å; S1186-K1348 VanDerWaalsContact O-CE 3.31Å; S1186-K1348 WeakPolarHBondContact O-CE 3.21Å; S1186-K1348 WeakPolarHBondContact O-CG 3.41Å; S1186-K1348 PolarHBondContact O-NZ 3.07Å; S1186-K1348 PolarHBondContact OG-NZ 3.47Å; A1187-K1348 VanDerWaalsContact N-CB 3.32Å; L1188-K1348 WeakPolarHBondContact CA-O 3.06Å; L1188-K1348 PolarHBondContact N-O 2.7Å | ||
| 1349 | H | 26.1 | Very low | 28.6 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 58% | 0.583 | 71% | 0.711 | S | S | * | * | trans | -98.8 | 160.9 | 175.7 | -58.8 | -82.6 | 0 | 0 | 0 | 122.9 | D1185 S1186 A1187 | D1185-H1349 IonicContact OD1-CD2 3.58Å; D1185-H1349 PolarHBondContact OD1-CD2 2.94Å; S1186-H1349 CarbonylContact C-O 3.59Å; A1187-H1349 WeakPolarHBondContact CA-O 3.5Å; A1187-H1349 PolarHBondContact N-O 3.39Å | ||
| 1350 | S | 24.7 | Very low | 28.4 | Very low | 68 Ų | 68 | 133.8 Ų | 133.8 | 48% | 0.476 | 72% | 0.716 | S | S | . | * | trans | 52.3 | 132.8 | -177.9 | -171.3 | 0 | 0 | 0 | 0 | 116.6 | A1187 | A1187-S1350 CarbonylContact C-O 3.45Å; A1187-S1350 VanDerWaalsContact C-O 3.23Å; A1187-S1350 WeakPolarHBondContact CB-O 3.46Å | ||
| 1351 | Q | 24.2 | Very low | 28.2 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 54% | 0.537 | 72% | 0.716 | S | S | . | * | cis | 38.4 | 119.4 | -0.7 | -74.7 | -130.8 | 54.8 | 0 | 0 | 122.1 | L1188 P1189 | L1188-Q1351 HydrophobicContact CB-CB 4.03Å; L1188-Q1351 HydrophobicContact CB-CG 4.42Å; L1188-Q1351 HydrophobicContact CD1-CB 4.04Å; P1189-Q1351 PolarHBondContact O-NE2 3.17Å | ||
| 1352 | V | 25 | Very low | 27.9 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | trans | -144 | 139.4 | 154.3 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1353 | V | 22.8 | Very low | 27.2 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | trans | -13.2 | 131.7 | 162.4 | 179.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1354 | T | 27.6 | Very low | 26.9 | Very low | 145 Ų | 145 | 133.6 Ų | 133.6 | 89% | 0.89 | 70% | 0.703 | S | S | * | * | -153.9 | 157 | 125.5 | -4.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1355 | T | 24.8 | Very low | 26 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 72% | 0.718 | 70% | 0.699 | S | S | * | * | trans | -124.9 | 164.3 | -163.7 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1356 | V | 26 | Very low | 25.9 | Very low | 128 Ų | 128 | 128 Ų | 128 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | 163.7 | 140.3 | 123.5 | 156.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1357 | S | 24.2 | Very low | 25.4 | Very low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | trans | 34.7 | 103 | 163.2 | -64.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1358 | S | 26.8 | Very low | 25.4 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | 75.9 | 90 | 68.9 | 78.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1359 | K | 23.3 | Very low | 25.1 | Very low | 209 Ų | 209 | 139.2 Ų | 139.2 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -102.7 | 106 | 171.1 | -164.5 | 174 | -171.2 | 174 | 0 | 109 | ||||
| 1360 | Y | 23.2 | Very low | 25.1 | Very low | 224 Ų | 224 | 142.5 Ų | 142.5 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -72 | 133.3 | -174.2 | -152.9 | -98.5 | 0 | 0 | 0 | 111.3 | ||||
| 1361 | N | 26.5 | Very low | 25 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -130.2 | 110.3 | -175 | -174 | 20.1 | 0 | 0 | 0 | 110.8 | ||||
| 1362 | P | 26.6 | Very low | 25 | Very low | 94 Ų | 94 | 152.3 Ų | 152.3 | 61% | 0.61 | 81% | 0.812 | S | S | * | * | trans | -94.3 | 108.7 | -175.2 | 33.8 | -30.5 | 0 | 0 | 0 | 112.4 | ||||
| 1363 | Y | 25.3 | Very low | 25 | Very low | 234 Ų | 234 | 153.2 Ų | 153.2 | 92% | 0.918 | 81% | 0.813 | S | S | * | * | trans | -166.7 | 80.3 | 145.5 | -105.6 | -64.1 | 0 | 0 | 0 | 112.1 | ||||
| 1364 | V | 25.8 | Very low | 25.2 | Very low | 144 Ų | 144 | 157.5 Ų | 157.5 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | trans | -130.7 | 135.8 | 163.2 | -178.9 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 1365 | G | 23.5 | Very low | 24.9 | Very low | 73 Ų | 73 | 155.4 Ų | 155.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | cis | 121.8 | 72.3 | 23.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1366 | A | 26.8 | Very low | 25 | Very low | 104 Ų | 104 | 152.9 Ų | 152.9 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -135.3 | 142.2 | -171 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1367 | S | 22 | Very low | 25.1 | Very low | 107 Ų | 107 | 153.4 Ų | 153.4 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -138.6 | 117.1 | -169.9 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1368 | F | 25.9 | Very low | 25.1 | Very low | 201 Ų | 201 | 154.3 Ų | 154.3 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -137.4 | 123.4 | 161.2 | -79.6 | -88.7 | 0 | 0 | 0 | 107.2 | ||||
| 1369 | R | 26.8 | Very low | 25 | Very low | 238 Ų | 238 | 157 Ų | 157 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | 56.6 | 92.9 | 72.4 | -90.1 | -168 | 170.7 | -170.5 | -2 | 112.4 | |||||
| 1370 | E | 25.2 | Very low | 25 | Very low | 196 Ų | 196 | 150 Ų | 150 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | trans | -67.1 | 145.1 | 159.3 | -58.3 | -179.7 | 144.3 | 0 | 0 | 109.7 | ||||
| 1371 | N | 23.6 | Very low | 25.1 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -136.8 | 136.5 | 165.8 | -150.8 | 24 | 0 | 0 | 0 | 107.4 | ||||
| 1372 | R | 23.6 | Very low | 24.9 | Very low | 223 Ų | 223 | 149.3 Ų | 149.3 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -85.6 | 139 | 172.9 | -72.7 | -175 | 176.1 | -169.9 | 0.1 | 108.9 | ||||
| 1373 | D | 25.3 | Very low | 24.8 | Very low | 144 Ų | 144 | 149.7 Ų | 149.7 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | -177.1 | 176.7 | 119.1 | -90.6 | -18.9 | 0 | 0 | 0 | 111.7 | |||||
| 1374 | Y | 26.1 | Very low | 24.8 | Very low | 202 Ų | 202 | 145.2 Ų | 145.2 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | 70 | 106 | 179.6 | -77.1 | -83.4 | 0 | 0 | 0 | 119.1 | ||||
| 1375 | I | 23 | Very low | 24.8 | Very low | 101 Ų | 101 | 144 Ų | 144 | 52% | 0.518 | 80% | 0.8 | S | S | . | * | trans | -87.2 | 146.1 | 150.9 | -58.9 | 159.8 | 0 | 0 | 0 | 107.1 | P1291 | P1291-I1375 WeakPolarHBondContact O-CA 3.33Å; P1291-I1375 WeakPolarHBondContact O-CB 3.47Å; P1291-I1375 VanDerWaalsContact O-CG1 3.3Å; P1291-I1375 WeakPolarHBondContact O-CG1 3.25Å; P1291-I1375 WeakPolarHBondContact O-CG2 3.24Å | ||
| 1376 | G | 26.6 | Very low | 25.2 | Very low | 65 Ų | 65 | 146.7 Ų | 146.7 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | trans | 158.4 | 140.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1377 | V | 28.1 | Very low | 25.1 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | 66 | 80.9 | 153.6 | -161.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1378 | V | 23.9 | Very low | 25.6 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | 47.7 | 112 | 106.3 | 178.9 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1379 | I | 24.2 | Very low | 25.6 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | 54.7 | 133.9 | 136.1 | -55.8 | 175.2 | 0 | 0 | 0 | 121.4 | ||||
| 1380 | G | 24 | Very low | 25.7 | Very low | 63 Ų | 63 | 140.1 Ų | 140.1 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | 105.7 | 91.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1381 | R | 23.7 | Very low | 25.6 | Very low | 257 Ų | 257 | 136.8 Ų | 136.8 | 97% | 0.97 | 79% | 0.785 | S | S | * | * | 66.5 | 77.6 | 70.2 | -162.4 | -171.4 | -166.4 | 176 | 5.3 | 113.9 | |||||
| 1382 | A | 23.3 | Very low | 25.9 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -141.9 | 148.2 | 163 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1383 | A | 24.1 | Very low | 26 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -121.4 | 135.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1384 | V | 26.4 | Very low | 26.2 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | -140.9 | 140.8 | 178.6 | -177 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1385 | T | 24.7 | Very low | 26.2 | Very low | 119 Ų | 119 | 131 Ų | 131 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | -98.3 | 149.6 | -172.5 | 48 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1386 | P | 31.5 | Very low | 26.3 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -75.6 | 162.3 | 164 | -11.4 | 28.8 | 0 | 0 | 0 | 113.2 | ||||
| 1387 | S | 25.8 | Very low | 26.4 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -110.5 | 173 | -169.5 | -48.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1388 | P | 32.2 | Very low | 26.1 | Very low | 112 Ų | 112 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -105.8 | 151.6 | -154.1 | 39.4 | -36.5 | 0 | 0 | 0 | 118.6 | ||||
| 1389 | I | 25.8 | Very low | 26.1 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | 38.7 | 128.7 | 131 | -52.7 | 171.1 | 0 | 0 | 0 | 120.7 | ||||
| 1390 | T | 27.7 | Very low | 26 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | trans | -140.1 | 126.7 | 149.2 | 50 | 0 | 0 | 0 | 0 | 114 | ||||
| 1391 | T | 23.6 | Very low | 26 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | trans | 68.6 | 153 | 141.8 | 57.6 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1392 | I | 30.8 | Very low | 26 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | 92.9 | 80.9 | 161.6 | -43.8 | -170.5 | 0 | 0 | 0 | 119.6 | ||||
| 1393 | D | 24.3 | Very low | 26 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | 52.9 | 125.4 | 111.1 | -154.6 | 18 | 0 | 0 | 0 | 124 | |||||
| 1394 | M | 29.5 | Very low | 26 | Very low | 161 Ų | 161 | 150.8 Ų | 150.8 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | -178.9 | 144 | 118.5 | -99.7 | -61.5 | -69 | 0 | 0 | 112.9 | |||||
| 1395 | H | 27.4 | Very low | 25.9 | Very low | 166 Ų | 166 | 150 Ų | 150 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -114.7 | 145.6 | -178.8 | -88.1 | -32.5 | 0 | 0 | 0 | 113.8 | ||||
| 1396 | Q | 25 | Very low | 25.9 | Very low | 175 Ų | 175 | 152.3 Ų | 152.3 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -175.9 | 147.4 | 133.4 | -104.2 | 171.1 | 22.7 | 0 | 0 | 112.9 | ||||
| 1397 | H | 28.4 | Very low | 25.7 | Very low | 162 Ų | 162 | 154.4 Ų | 154.4 | 75% | 0.75 | 78% | 0.776 | S | S | * | * | trans | 41.1 | 116.5 | 171.4 | -67.5 | -85.6 | 0 | 0 | 0 | 120.2 | ||||
| 1398 | Y | 22.3 | Very low | 25.7 | Very low | 199 Ų | 199 | 152.1 Ų | 152.1 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | 60 | 131.2 | 69.9 | -84.4 | -111.8 | 0 | 0 | 0 | 114.5 | |||||
| 1399 | Q | 23.7 | Very low | 25.6 | Very low | 144 Ų | 144 | 153.2 Ų | 153.2 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | cis | -162.5 | 134.6 | 3.8 | -168.1 | 178 | 32.3 | 0 | 0 | 112.1 | I1401 | Q1399-I1401 HydrophobicContact CG-CD1 4.35Š| ||
| 1400 | S | 22.5 | Very low | 25.8 | Very low | 116 Ų | 116 | 152.3 Ų | 152.3 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | 163.6 | 88.7 | 159.1 | -79.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 1401 | I | 23.7 | Very low | 25.8 | Very low | 139 Ų | 139 | 152.1 Ų | 152.1 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | 82.6 | 124.2 | 75.1 | -65.7 | 172.7 | 0 | 0 | 0 | 113.9 | Q1399 | Q1399-I1401 HydrophobicContact CG-CD1 4.35Š| |||
| 1402 | E | 22.5 | Very low | 25.8 | Very low | 146 Ų | 146 | 152.2 Ų | 152.2 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | 89.2 | 131.4 | 164.4 | -91.5 | -169.8 | -149.5 | 0 | 0 | 123.9 | ||||
| 1403 | R | 23.2 | Very low | 25.5 | Very low | 205 Ų | 205 | 152.7 Ų | 152.7 | 77% | 0.774 | 75% | 0.746 | S | S | * | * | trans | 82 | 61.7 | 155.5 | -62.7 | 176.2 | -155.7 | -137.6 | -2.8 | 121.8 | ||||
| 1404 | R | 24.3 | Very low | 25.4 | Very low | 241 Ų | 241 | 151.3 Ų | 151.3 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | 47.7 | 121 | 119.9 | -60 | 176.3 | -177.9 | 176 | 0.8 | 120.5 | |||||
| 1405 | P | 25 | Very low | 25.1 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | trans | -131.6 | 123.2 | 138.7 | 34.9 | -21.9 | 0 | 0 | 0 | 113.5 | ||||
| 1406 | L | 24.8 | Very low | 24.9 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -151.8 | 157.9 | 171.8 | -67.6 | 176.5 | 0 | 0 | 0 | 106.8 | ||||
| 1407 | K | 27.9 | Very low | 24.9 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | cis | -152.1 | 147.2 | 4.1 | -147.8 | 178.1 | -179.3 | -175 | 0 | 106.8 | ||||
| 1408 | G | 25.8 | Very low | 24.7 | Very low | 68 Ų | 68 | 143.3 Ų | 143.3 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -117.9 | 147.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1409 | Q | 29.5 | Very low | 24.8 | Very low | 136 Ų | 136 | 141 Ų | 141 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | -176 | 148.3 | 169.7 | -113.8 | 169.4 | -27.9 | 0 | 0 | 113 | ||||
| 1410 | H | 29.6 | Very low | 24.8 | Very low | 142 Ų | 142 | 137 Ų | 137 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | trans | 64.8 | 155 | 146 | -68.9 | -37.6 | 0 | 0 | 0 | 120.1 | ||||
| 1411 | N | 26.8 | Very low | 24.9 | Very low | 120 Ų | 120 | 139 Ų | 139 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | cis | -168 | 174.9 | -27.5 | -125.1 | 11.9 | 0 | 0 | 0 | 109 | ||||
| 1412 | I | 25.6 | Very low | 24.8 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 65% | 0.651 | 75% | 0.751 | S | S | * | * | trans | 60 | 109.2 | 145.8 | -69.8 | 164.8 | 0 | 0 | 0 | 116.6 | ||||
| 1413 | Q | 23 | Very low | 24.8 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | 86.2 | 148.3 | 69.4 | 179.6 | -177 | 2.8 | 0 | 0 | 113.5 | |||||
| 1414 | S | 23.2 | Very low | 24.9 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | 61.6 | 136.2 | -178.8 | 38.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1415 | S | 23 | Very low | 25.3 | Very low | 93 Ų | 93 | 126.7 Ų | 126.7 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | cis | 119.5 | 126.8 | 3.1 | 68 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1416 | I | 23.8 | Very low | 25.3 | Very low | 179 Ų | 179 | 127.6 Ų | 127.6 | 92% | 0.918 | 74% | 0.739 | S | S | * | * | trans | 70.9 | 144.2 | 161.9 | -57.3 | 157.6 | 0 | 0 | 0 | 115.5 | ||||
| 1417 | G | 24.4 | Very low | 25.2 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | trans | 141.6 | 84.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1418 | N | 22.9 | Very low | 25.1 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | trans | -55.8 | 152.1 | 168 | -53.7 | -18.8 | 0 | 0 | 0 | 112.2 | ||||
| 1419 | T | 26.1 | Very low | 25 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 91% | 0.914 | 74% | 0.735 | S | S | * | * | -173.6 | 152.5 | 124.2 | 15.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1420 | G | 23.4 | Very low | 25.1 | Very low | 61 Ų | 61 | 128 Ų | 128 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | trans | 101.4 | 87 | 134.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1421 | N | 24.3 | Very low | 24.9 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | 55.8 | 87.1 | 123.8 | -55.3 | 0.9 | 0 | 0 | 0 | 120.1 | |||||
| 1422 | A | 21.7 | Very low | 24.7 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | 30.9 | 124.7 | 106.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1423 | L | 22.5 | Very low | 24.4 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | 72.1 | 123.1 | 131.5 | -64.5 | 171.3 | 0 | 0 | 0 | 121.9 | ||||
| 1424 | N | 24.4 | Very low | 24.5 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 74.3 | 164.3 | 136.7 | -66.4 | -4.5 | 0 | 0 | 0 | 118.4 | ||||
| 1425 | P | 33.8 | Very low | 24.6 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | -135.2 | -158.7 | -63.5 | 37.1 | -18.1 | 0 | 0 | 0 | 111.8 | |||||
| 1426 | L | 24 | Very low | 24.6 | Very low | 141 Ų | 141 | 127.1 Ų | 127.1 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 72.9 | 163.8 | 176.2 | -81.1 | 71.9 | 0 | 0 | 0 | 116.3 | ||||
| 1427 | M | 23.4 | Very low | 24.6 | Very low | 162 Ų | 162 | 123 Ų | 123 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | 69.2 | 148.7 | 178.4 | -47.4 | -53.3 | 166.3 | 0 | 0 | 114.9 | ||||
| 1428 | S | 26.2 | Very low | 24.5 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | cis | -126 | 146.1 | 4.9 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1429 | T | 24.1 | Very low | 24.6 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | trans | -67.6 | 130.6 | 151 | 46.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1430 | D | 31.2 | Very low | 24.4 | Very low | 170 Ų | 170 | 122.1 Ų | 122.1 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | trans | -92.3 | 141.7 | 158.1 | -87.2 | -42.1 | 0 | 0 | 0 | 110.1 | ||||
| 1431 | L | 24.2 | Very low | 24.4 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -117.3 | 169.7 | -158.7 | -140.1 | 75.9 | 0 | 0 | 0 | 112.1 | ||||
| 1432 | S | 22.9 | Very low | 24.3 | Very low | 93 Ų | 93 | 121.9 Ų | 121.9 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | trans | 55.1 | 103.9 | 162.9 | 52.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1433 | T | 20.9 | Very low | 24.4 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | 56 | 114.7 | 70.2 | 73.5 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1434 | T | 23.9 | Very low | 24.3 | Very low | 138 Ų | 138 | 122.9 Ų | 122.9 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | trans | -163.2 | 168 | 144.4 | 16.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1435 | S | 25.9 | Very low | 24.2 | Very low | 120 Ų | 120 | 122.4 Ų | 122.4 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | 56.8 | 93.3 | 176.1 | 47.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1436 | S | 22.3 | Very low | 23.7 | Very low | 108 Ų | 108 | 124.1 Ų | 124.1 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -74.2 | -172.4 | 174.1 | 53.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1437 | S | 23.6 | Very low | 23.6 | Very low | 93 Ų | 93 | 123.8 Ų | 123.8 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | trans | 82.9 | 92.5 | 144.5 | 36.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1438 | T | 22.3 | Very low | 23.7 | Very low | 132 Ų | 132 | 122.8 Ų | 122.8 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | 52 | 115.4 | 122.9 | 57.3 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1439 | S | 25.2 | Very low | 23.5 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | -169.7 | 160.5 | 99 | 36.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 1440 | S | 23.1 | Very low | 23.4 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -59.4 | 164.1 | -167.6 | 46.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1441 | T | 23.2 | Very low | 23.1 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | trans | 69.1 | 145.5 | 145.3 | 44.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1442 | S | 21.9 | Very low | 23.2 | Very low | 88 Ų | 88 | 119.7 Ų | 119.7 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | cis | -173.2 | 167.3 | -26.4 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1443 | T | 22.6 | Very low | 23.2 | Very low | 126 Ų | 126 | 123 Ų | 123 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 56.1 | 87.8 | 150.2 | 47.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1444 | T | 22.1 | Very low | 23.3 | Very low | 129 Ų | 129 | 122.5 Ų | 122.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -169.5 | 136.4 | 137.9 | 15.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1445 | T | 21.9 | Very low | 23.3 | Very low | 124 Ų | 124 | 122 Ų | 122 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | cis | 66.5 | 68.2 | 31.4 | 75.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1446 | T | 23.6 | Very low | 23 | Very low | 141 Ų | 141 | 121 Ų | 121 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | -153.5 | 122.1 | 127.8 | 18.5 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1447 | T | 21.6 | Very low | 23 | Very low | 134 Ų | 134 | 124.8 Ų | 124.8 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -91.4 | 123.9 | 163.2 | 35.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1448 | T | 24.7 | Very low | 22.9 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | -176.4 | 156.8 | 137.1 | 17.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1449 | V | 21.8 | Very low | 23 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 128.9 | -169.3 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1450 | P | 22.9 | Very low | 22.9 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 151.3 | 156.4 | 35 | -30 | 0 | 0 | 0 | 112.2 | ||
| 1451 | A | 24.6 | Very low | 22.9 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 172.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1452 | P | 26 | Very low | 23 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79 | 149.8 | -156.1 | 30.6 | -35.7 | 0 | 0 | 0 | 115.9 | S1454 | P1452-S1454 PolarHBondContact O-N 2.87Š|
| 1453 | L | 22.9 | Very low | 23.1 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -36.1 | 126.2 | 165.1 | -63.2 | 160.4 | 0 | 0 | 0 | 113.8 | ||||
| 1454 | S | 22.6 | Very low | 23.2 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -108.9 | 113.1 | 151.4 | -64.7 | 0 | 0 | 0 | 0 | 107.3 | P1452 | P1452-S1454 PolarHBondContact O-N 2.87Š| ||
| 1455 | T | 24 | Very low | 23.4 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -83.7 | 125.8 | -175.2 | 36.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1456 | S | 20.8 | Very low | 23.5 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -81.6 | 156.5 | 177.9 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1457 | F | 21.5 | Very low | 23.6 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -141.7 | 103.5 | 157.7 | -96.9 | -77.1 | 0 | 0 | 0 | 112 | ||||
| 1458 | N | 22.8 | Very low | 23.9 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 69% | 0.69 | 79% | 0.786 | S | S | * | * | trans | 39.3 | 126.7 | 142.7 | -54.3 | -15.5 | 0 | 0 | 0 | 120.9 | ||||
| 1459 | I | 23 | Very low | 23.7 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | -165 | 128.1 | 96.2 | -98.1 | 162.5 | 0 | 0 | 0 | 112.6 | |||||
| 1460 | V | 22.8 | Very low | 23.7 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | 28 | 121.9 | 150.7 | -169.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1461 | G | 24.6 | Very low | 23.6 | Very low | 76 Ų | 76 | 137.8 Ų | 137.8 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | -167.7 | 95.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1462 | R | 23.6 | Very low | 23.6 | Very low | 243 Ų | 243 | 138.8 Ų | 138.8 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | trans | -50.1 | 136.3 | -171.6 | -69.7 | 173.9 | 169.9 | 171 | -5 | 115.8 | ||||
| 1463 | G | 24.5 | Very low | 23.3 | Very low | 78 Ų | 78 | 140.7 Ų | 140.7 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -132.6 | 141.8 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1464 | L | 24.4 | Very low | 23.3 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 71% | 0.707 | 78% | 0.778 | S | S | * | * | trans | -139.7 | 129.2 | -171 | -94.1 | 165.1 | 0 | 0 | 0 | 110.7 | ||||
| 1465 | F | 26.1 | Very low | 23.3 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 79% | 0.789 | 78% | 0.78 | S | S | * | * | trans | 61.2 | 159.7 | 169.7 | -68.9 | -75.2 | 0 | 0 | 0 | 115.9 | ||||
| 1466 | D | 24.8 | Very low | 23.2 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | cis | -146.5 | -173.7 | 2.4 | -137.7 | -37.4 | 0 | 0 | 0 | 114.2 | ||||
| 1467 | Q | 26.4 | Very low | 23.3 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -63 | 164 | -175.9 | -66.7 | -80.2 | -3.5 | 0 | 0 | 116.9 | ||||
| 1468 | P | 26.6 | Very low | 23.4 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | trans | -98.5 | 144.6 | 170.4 | 36.9 | -30.3 | 0 | 0 | 0 | 113.7 | ||||
| 1469 | L | 21.6 | Very low | 23.5 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | trans | -161.3 | -176.1 | 148.8 | -136.4 | 91.2 | 0 | 0 | 0 | 114.2 | ||||
| 1470 | L | 20.4 | Very low | 23.6 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | -85.6 | 157.6 | -160.7 | -106.4 | 66 | 0 | 0 | 0 | 117.1 | ||||
| 1471 | V | 21.8 | Very low | 23.6 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | 83 | 98.9 | 134.9 | 166.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1472 | T | 23.5 | Very low | 23.3 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | trans | 73 | 140.1 | 133.3 | 66.7 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1473 | N | 21.1 | Very low | 23.2 | Very low | 161 Ų | 161 | 135.9 Ų | 135.9 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | 69.5 | 115.8 | 146.5 | -66.4 | -12.3 | 0 | 0 | 0 | 121.1 | ||||
| 1474 | G | 22.7 | Very low | 23.2 | Very low | 72 Ų | 72 | 141.7 Ų | 141.7 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | 173.2 | 40.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1475 | K | 22.3 | Very low | 23.2 | Very low | 205 Ų | 205 | 140.7 Ų | 140.7 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | 67 | 148.1 | 153.5 | -61.6 | 172.9 | 175.8 | 173.3 | 0 | 122.5 | ||||
| 1476 | S | 22.6 | Very low | 23 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | 65.1 | 96.9 | 145.4 | 52 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1477 | N | 22 | Very low | 23 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | 32.9 | 125.4 | 117 | -52.7 | -1.6 | 0 | 0 | 0 | 121.7 | |||||
| 1478 | T | 24.8 | Very low | 22.9 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | -157.4 | 127.9 | 122.6 | 11.8 | 0 | 0 | 0 | 0 | 114 | |||||
| 1479 | I | 24.3 | Very low | 22.7 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | trans | 49.1 | 110.8 | 148.2 | -57.5 | 165.7 | 0 | 0 | 0 | 119.7 | ||||
| 1480 | L | 24.7 | Very low | 22.8 | Very low | 176 Ų | 176 | 142 Ų | 142 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -96.6 | 148.8 | 144.9 | -101.5 | 163.2 | 0 | 0 | 0 | 108.7 | ||||
| 1481 | S | 22.4 | Very low | 23 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -107.8 | 113.9 | 177.6 | -64.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1482 | S | 19.6 | Very low | 23.1 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -145.3 | 151.4 | 165.2 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1483 | S | 20.8 | Very low | 23.2 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -80.6 | 130.7 | -173.9 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1484 | Q | 23.6 | Very low | 23.2 | Very low | 199 Ų | 199 | 143.1 Ų | 143.1 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | -154.3 | 143.9 | 157.6 | -120.1 | 166.6 | 43.4 | 0 | 0 | 112.4 | ||||
| 1485 | S | 24.8 | Very low | 23.2 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -95.4 | 155.8 | -180 | 46 | 0 | 0 | 0 | 0 | 111.8 | N1487 | S1485-N1487 PolarHBondContact O-N 3.07Š| ||
| 1486 | L | 21.5 | Very low | 23.1 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -66.6 | 123.2 | 169.8 | -72.5 | 162.8 | 0 | 0 | 0 | 110.4 | ||||
| 1487 | N | 25 | Very low | 23.2 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | -177.1 | 149.7 | 108.1 | -101.6 | -67.5 | 0 | 0 | 0 | 115.4 | S1485 | S1485-N1487 PolarHBondContact O-N 3.07Š| |||
| 1488 | K | 25.1 | Very low | 23.4 | Very low | 194 Ų | 194 | 144 Ų | 144 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | 48.2 | 112.5 | 160 | -77.3 | -176.8 | 173.1 | 177.8 | 0 | 121 | ||||
| 1489 | L | 22.9 | Very low | 23.3 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -41.5 | 139.6 | 155.3 | -62.9 | 151.1 | 0 | 0 | 0 | 114.9 | ||||
| 1490 | S | 23.8 | Very low | 23.3 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -146.2 | 140.3 | 147.4 | 61.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1491 | I | 24.3 | Very low | 23.3 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -85.6 | 154 | -166.9 | -67.5 | 164.9 | 0 | 0 | 0 | 112 | ||||
| 1492 | N | 24.2 | Very low | 23.3 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -122.7 | 149.9 | 178.4 | -160.3 | 11.9 | 0 | 0 | 0 | 111.8 | ||||
| 1493 | T | 24 | Very low | 23.6 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 69% | 0.693 | 81% | 0.813 | S | S | * | * | trans | 55.6 | 123.9 | 164.2 | 48.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1494 | N | 21.2 | Very low | 23.7 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | 34.2 | 121.1 | 138.4 | -64.5 | -4.4 | 0 | 0 | 0 | 120.6 | ||||
| 1495 | I | 22.8 | Very low | 23.7 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 80% | 0.795 | 80% | 0.798 | S | S | * | * | 66.3 | 102 | 66.4 | -60 | 167.9 | 0 | 0 | 0 | 113.2 | |||||
| 1496 | N | 21.8 | Very low | 23.7 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -159.6 | 169 | 139.7 | -130.9 | -24.7 | 0 | 0 | 0 | 110.5 | ||||
| 1497 | S | 24.3 | Very low | 24 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 55.9 | 105.5 | 177.2 | 56.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1498 | S | 24.7 | Very low | 23.9 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | trans | -92.2 | 148.9 | 163.5 | 52.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1499 | G | 22.9 | Very low | 24 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | 152.8 | 115.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1500 | R | 25 | Very low | 24 | Very low | 221 Ų | 221 | 140.4 Ų | 140.4 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | 166 | 115.5 | 125.2 | -177 | 164.7 | -173.6 | -177 | -0 | 112.7 | |||||
| 1501 | Q | 24.3 | Very low | 24.3 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | 47.3 | 112.9 | 147.1 | -63.4 | 165.3 | -27.7 | 0 | 0 | 121 | ||||
| 1502 | T | 23.7 | Very low | 24.3 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | 1.5 | 148 | 124.2 | 51.5 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 1503 | P | 25.8 | Very low | 24.3 | Very low | 129 Ų | 129 | 141 Ų | 141 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | cis | -144.6 | -175.9 | 46.6 | 41.2 | -21.2 | 0 | 0 | 0 | 117.8 | ||||
| 1504 | A | 22.7 | Very low | 24.6 | Very low | 88 Ų | 88 | 142.9 Ų | 142.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -82 | 165.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1505 | N | 23.8 | Very low | 24.7 | Very low | 138 Ų | 138 | 144 Ų | 144 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | -167.8 | 156.2 | 123.1 | -112.8 | -29.9 | 0 | 0 | 0 | 114.2 | |||||
| 1506 | Y | 23.5 | Very low | 24.9 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 30.3 | 137 | 157.3 | -67.7 | -71.8 | 0 | 0 | 0 | 120.4 | ||||
| 1507 | K | 27.6 | Very low | 25.1 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | cis | -162.9 | 166.8 | 49.6 | -140.7 | 159.7 | -171.1 | -179.2 | 0 | 115 | ||||
| 1508 | H | 23.6 | Very low | 25.2 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | -70.8 | 164 | -171.5 | -98.6 | -104.2 | 0 | 0 | 0 | 118.7 | ||||
| 1509 | N | 26.2 | Very low | 25.2 | Very low | 107 Ų | 107 | 145 Ų | 145 | 57% | 0.572 | 75% | 0.753 | S | S | * | * | trans | 95.5 | 106.2 | 137.6 | -79.7 | 24 | 0 | 0 | 0 | 123.7 | ||||
| 1510 | E | 23.4 | Very low | 25.2 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 69% | 0.692 | 76% | 0.755 | S | S | * | * | 90.7 | 153.1 | 112.6 | -74.7 | 175.2 | 153.7 | 0 | 0 | 123 | |||||
| 1511 | H | 30.9 | Very low | 25.2 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 75% | 0.75 | 75% | 0.752 | S | S | * | * | trans | 70 | 139.2 | 171.2 | -77.2 | 58.8 | 0 | 0 | 0 | 118.1 | ||||
| 1512 | N | 23.9 | Very low | 25.4 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 58% | 0.583 | 75% | 0.751 | S | S | * | * | cis | -160.7 | 155.9 | -30.8 | -132.9 | -23 | 0 | 0 | 0 | 111.1 | ||||
| 1513 | Q | 23.8 | Very low | 25.5 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | trans | 26.3 | 153.6 | 153.2 | -70.4 | 163.4 | 12 | 0 | 0 | 124.2 | ||||
| 1514 | L | 31.3 | Very low | 25.5 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | trans | 102.2 | 94 | 173.2 | -60.2 | 168 | 0 | 0 | 0 | 113.3 | ||||
| 1515 | E | 23.2 | Very low | 25.9 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 74% | 0.738 | 73% | 0.733 | S | S | * | * | 78.7 | 137.8 | 64.3 | -68.4 | -159.2 | 138 | 0 | 0 | 115.5 | |||||
| 1516 | H | 26.6 | Very low | 26 | Very low | 183 Ų | 183 | 147.2 Ų | 147.2 | 85% | 0.847 | 73% | 0.732 | S | S | * | * | trans | 52.4 | 95.6 | 169.6 | -63.2 | -63.7 | 0 | 0 | 0 | 119.3 | ||||
| 1517 | G | 25.7 | Very low | 26 | Very low | 80 Ų | 80 | 146.1 Ų | 146.1 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | 170.1 | 105.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1518 | I | 26.2 | Very low | 25.9 | Very low | 154 Ų | 154 | 145.9 Ų | 145.9 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | trans | -97.3 | 129.1 | -178.3 | -104.5 | 175 | 0 | 0 | 0 | 111.7 | ||||
| 1519 | H | 26.1 | Very low | 25.9 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 75% | 0.75 | 74% | 0.74 | S | S | * | * | trans | 60.9 | 115.2 | 160.1 | -69.9 | -153.7 | 0 | 0 | 0 | 118.9 | ||||
| 1520 | H | 22 | Very low | 25.9 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | -126.3 | 120.5 | 130.3 | -153.3 | -75.5 | 0 | 0 | 0 | 110 | S1522 | H1520-S1522 PolarHBondContact CE1-O 2.76Š| ||
| 1521 | L | 24.9 | Very low | 25.9 | Very low | 147 Ų | 147 | 141.3 Ų | 141.3 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -141.2 | 159.2 | 170.3 | -105.3 | 175.5 | 0 | 0 | 0 | 106.3 | ||||
| 1522 | S | 27.5 | Very low | 25.8 | Very low | 91 Ų | 91 | 142.2 Ų | 142.2 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | 67.7 | 169 | -174.8 | 97.9 | 0 | 0 | 0 | 0 | 112.4 | H1520 | H1520-S1522 PolarHBondContact CE1-O 2.76Š| ||
| 1523 | K | 26.9 | Very low | 25.8 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | cis | -162.5 | -176.1 | -24.4 | -123.2 | -167.8 | 173.8 | -148.8 | 0 | 108.8 | ||||
| 1524 | D | 26.2 | Very low | 25.8 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | trans | -59 | 161 | 174.2 | -36.6 | -88.6 | 0 | 0 | 0 | 115.1 | ||||
| 1525 | N | 31 | Very low | 25.5 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 61% | 0.61 | 77% | 0.767 | S | S | * | * | trans | 75.2 | 110.3 | 149.7 | -79.5 | 31.8 | 0 | 0 | 0 | 123 | ||||
| 1526 | E | 24.7 | Very low | 25.7 | Very low | 153 Ų | 153 | 140 Ų | 140 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | 90.4 | 140.7 | 117.3 | -74.3 | 172.9 | 166.8 | 0 | 0 | 121.5 | |||||
| 1527 | L | 25.1 | Very low | 25.6 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | 65.9 | 132.3 | 160.7 | -63.2 | 156.4 | 0 | 0 | 0 | 115.2 | ||||
| 1528 | E | 24.3 | Very low | 25.6 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | cis | -140 | -141.6 | 17.7 | -59.3 | -179.4 | 122.2 | 0 | 0 | 110.3 | ||||
| 1529 | G | 23.5 | Very low | 25.6 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | 127.3 | 16.5 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1530 | S | 26.9 | Very low | 25.5 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | -38.6 | 149.9 | 169.3 | -43.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1531 | N | 23 | Very low | 25.5 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | trans | 78.6 | 107.5 | 153.3 | -47.1 | -36.3 | 0 | 0 | 0 | 119.4 | ||||
| 1532 | I | 30 | Very low | 25.5 | Very low | 181 Ų | 181 | 130.7 Ų | 130.7 | 93% | 0.928 | 75% | 0.751 | S | S | * | * | -105.1 | 148.6 | 113.3 | -71.5 | -177 | 0 | 0 | 0 | 108.1 | |||||
| 1533 | L | 23.4 | Very low | 25.5 | Very low | 138 Ų | 138 | 133 Ų | 133 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | trans | -92.3 | 149.3 | -165.9 | -167.1 | 71.8 | 0 | 0 | 0 | 112.5 | ||||
| 1534 | L | 22.9 | Very low | 25.3 | Very low | 156 Ų | 156 | 130.6 Ų | 130.6 | 82% | 0.817 | 76% | 0.755 | S | S | * | * | trans | 14.1 | 130.9 | 164.3 | -82.2 | 73.4 | 0 | 0 | 0 | 120.5 | ||||
| 1535 | G | 25.9 | Very low | 25.3 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | trans | -154.3 | 56.8 | 173 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1536 | I | 26.3 | Very low | 25 | Very low | 169 Ų | 169 | 130.1 Ų | 130.1 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | trans | 12.8 | 129.8 | 155.9 | -53.5 | 168 | 0 | 0 | 0 | 118.7 | ||||
| 1537 | G | 25.2 | Very low | 25 | Very low | 64 Ų | 64 | 128.5 Ų | 128.5 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | trans | 157.4 | 85.7 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1538 | L | 25.2 | Very low | 25.1 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | 63.4 | 157 | 129.6 | -68.4 | 175.6 | 0 | 0 | 0 | 124.2 | |||||
| 1539 | N | 27.2 | Very low | 25.1 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | trans | 79.9 | 94.2 | 154.2 | -65.3 | 6.1 | 0 | 0 | 0 | 122.8 | ||||
| 1540 | D | 22.8 | Very low | 25.1 | Very low | 125 Ų | 125 | 125.3 Ų | 125.3 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | 72.6 | 106.6 | 103.3 | -63 | -5.2 | 0 | 0 | 0 | 125.1 | |||||
| 1541 | T | 22.2 | Very low | 24.8 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | 74.8 | 166.7 | 125.3 | 70.5 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1542 | S | 26 | Very low | 25 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 74.2 | 147 | 172.5 | 82.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1543 | N | 26.4 | Very low | 24.6 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | cis | -153.2 | 131.2 | -6.3 | -111.5 | -11.5 | 0 | 0 | 0 | 108.5 | ||||
| 1544 | V | 22.8 | Very low | 24.6 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | 78.6 | 146.5 | 100.8 | 170.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1545 | T | 26.6 | Very low | 24.7 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | 65.5 | 148 | 176.5 | 41.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1546 | S | 25.3 | Very low | 24.7 | Very low | 95 Ų | 95 | 128.8 Ų | 128.8 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | cis | -165.1 | 143.5 | -12.4 | 47.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1547 | T | 23.2 | Very low | 24.7 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | 30.9 | 118.8 | 148.8 | 57.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1548 | N | 28.9 | Very low | 24.7 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | -178 | 133.6 | 108.3 | -94.9 | -23 | 0 | 0 | 0 | 116.8 | |||||
| 1549 | S | 23.1 | Very low | 24.9 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | 34.4 | 140.9 | 145.6 | 61.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 1550 | S | 23.9 | Very low | 24.7 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 61.9 | 105.3 | 154.3 | 50.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1551 | L | 20.9 | Very low | 24.8 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | 84.4 | 95.5 | 57.4 | -168.9 | 147.7 | 0 | 0 | 0 | 113.4 | |||||
| 1552 | N | 26.5 | Very low | 25 | Very low | 147 Ų | 147 | 125.5 Ų | 125.5 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -162 | 129 | 142.5 | -111.1 | -27.5 | 0 | 0 | 0 | 113 | ||||
| 1553 | V | 22.8 | Very low | 25.1 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | 32 | 132.3 | 149 | -173.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1554 | C | 23.4 | Very low | 25.2 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | trans | -76.9 | 134.3 | 172.4 | -41.2 | 0 | 0 | 0 | 0 | 112.7 | I1556 | C1554-I1556 HydrophobicContact CB-CG1 4.34Š| ||
| 1555 | D | 24.8 | Very low | 25.6 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | trans | -89.7 | 117.4 | 149.2 | -91.4 | -48.3 | 0 | 0 | 0 | 108.8 | ||||
| 1556 | I | 25.7 | Very low | 25.8 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | trans | -95.5 | 101.5 | 171.2 | -64.5 | 178.7 | 0 | 0 | 0 | 107.2 | C1554 | C1554-I1556 HydrophobicContact CB-CG1 4.34Š| ||
| 1557 | D | 26.7 | Very low | 26.4 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | trans | -68.4 | 149.1 | -174.7 | -155.4 | -7.8 | 0 | 0 | 0 | 111.9 | ||||
| 1558 | S | 24.2 | Very low | 27.2 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 57% | 0.573 | 77% | 0.765 | S | S | * | * | trans | -126.4 | 122.9 | -170.8 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1559 | K | 28.6 | Very low | 27.6 | Very low | 188 Ų | 188 | 125.6 Ų | 125.6 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | trans | 172 | 82.9 | 149.8 | -92.1 | 150.7 | -135.9 | 97.3 | 0 | 111.9 | ||||
| 1560 | G | 24.1 | Very low | 28.5 | Very low | 92 Ų | 92 | 123.8 Ų | 123.8 | 95% | 0.948 | 74% | 0.738 | S | S | * | * | trans | -93.8 | 77.9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1561 | G | 24.5 | Very low | 30 | Very low | 65 Ų | 65 | 124.9 Ų | 124.9 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | trans | -143 | 83.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1562 | T | 27.5 | Very low | 31.1 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 82% | 0.816 | 72% | 0.721 | S | S | * | * | trans | -142.4 | 151.7 | -179.1 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1563 | Q | 27.7 | Very low | 32.4 | Very low | 185 Ų | 185 | 123.3 Ų | 123.3 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 86.4 | 27 | 167.9 | -54.7 | -168.8 | -16.6 | 0 | 0 | 121.1 | ||
| 1564 | E | 27.7 | Very low | 34.4 | Very low | 177 Ų | 177 | 125.6 Ų | 125.6 | 83% | 0.827 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -114.5 | -31.1 | 159.8 | -70.1 | -157.6 | 141.7 | 0 | 0 | 115 | C1566 | E1564-C1566 VanDerWaalsContact C-N 3.26Å; E1564-C1566 PolarHBondContact O-N 3.46Å; E1564-C1566 VanDerWaalsContact O-N 3.1Å |
| 1565 | A | 31 | Very low | 36.6 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 78% | 0.777 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -62.6 | -25 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1566 | C | 31.9 | Very low | 38 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -79.1 | -28.8 | -170.6 | -159.2 | 0 | 0 | 0 | 0 | 114.2 | E1564 | E1564-C1566 VanDerWaalsContact C-N 3.26Å; E1564-C1566 PolarHBondContact O-N 3.46Å; E1564-C1566 VanDerWaalsContact O-N 3.1Å |
| 1567 | V | 36.4 | Very low | 39.9 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 69% | 0.691 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.5 | -37.1 | -175.3 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | H1569 F1571 | V1567-H1569 PolarHBondContact O-N 3.17Å; V1567-F1571 PolarHBondContact O-N 3.03Å |
| 1568 | S | 40.1 | Very low | 41.4 | Very low | 73 Ų | 73 | 121.9 Ų | 121.9 | 51% | 0.51 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -64.8 | -35.1 | -177 | -170.6 | 0 | 0 | 0 | 0 | 113.4 | F1571 R1572 | S1568-F1571 PolarHBondContact O-N 3.46Å; S1568-R1572 PolarHBondContact O-N 3.24Å |
| 1569 | H | 37.6 | Very low | 42.9 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 52% | 0.523 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -70.2 | -46.6 | -175.6 | -168.4 | -103.5 | 0 | 0 | 0 | 112.5 | V1567 F1571 R1572 Q1573 | V1567-H1569 PolarHBondContact O-N 3.17Å; H1569-F1571 VanDerWaalsContact C-N 3.28Å; H1569-F1571 PolarHBondContact O-N 2.9Å; H1569-R1572 PolarHBondContact O-N 3.44Å; H1569-Q1573 PolarHBondContact CE1-NE2 3.25Å; H1569-Q1573 PolarHBondContact O-N 3.17Å |
| 1570 | S | 42.2 | Very low | 43.7 | Very low | 60 Ų | 60 | 119.6 Ų | 119.6 | 42% | 0.42 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -63.5 | -34.2 | 176.2 | -58 | 0 | 0 | 0 | 0 | 112.2 | Q1573 R1574 | S1570-Q1573 PolarHBondContact O-N 3.47Å; S1570-R1574 WeakPolarHBondContact O-CG 3.34Å; S1570-R1574 PolarHBondContact O-N 3.15Å; S1570-R1574 VanDerWaalsContact O-N 3.1Å |
| 1571 | F | 55.9 | Low | 44.8 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 58% | 0.579 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.8 | -46.3 | 174.7 | -168.3 | -107.7 | 0 | 0 | 0 | 111.9 | V1567 S1568 H1569 Q1573 R1574 I1575 | V1567-F1571 PolarHBondContact O-N 3.03Å; S1568-F1571 PolarHBondContact O-N 3.46Å; H1569-F1571 VanDerWaalsContact C-N 3.28Å; H1569-F1571 PolarHBondContact O-N 2.9Å; F1571-Q1573 VanDerWaalsContact C-N 3.35Å; F1571-Q1573 PolarHBondContact O-N 3.35Å; F1571-R1574 PolarHBondContact O-N 3.34Å; F1571-I1575 HydrophobicContact CD1-CD1 3.85Å; F1571-I1575 HydrophobicContact CE1-CD1 3.53Å; F1571-I1575 HydrophobicContact CZ-CD1 4.1Å; F1571-I1575 PolarHBondContact O-N 3.12Å; F1571-I1575 VanDerWaalsContact O-N 3.14Å |
| 1572 | R | 44 | Very low | 45.7 | Very low | 173 Ų | 173 | 127 Ų | 127 | 65% | 0.653 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -57.6 | -43.5 | 172.9 | -85.1 | -174.2 | 165.8 | -162.5 | -3.5 | 112.6 | S1568 H1569 R1574 I1575 L1576 | S1568-R1572 PolarHBondContact O-N 3.24Å; H1569-R1572 PolarHBondContact O-N 3.44Å; R1572-R1574 PolarHBondContact O-N 3.12Å; R1572-I1575 PolarHBondContact O-N 3.34Å; R1572-L1576 WeakPolarHBondContact O-CG 3.47Å; R1572-L1576 PolarHBondContact O-N 3.49Å |
| 1573 | Q | 54.1 | Low | 46 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 47% | 0.467 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.7 | -41.6 | 177.8 | -75.4 | -173 | -28 | 0 | 0 | 112.6 | H1569 S1570 F1571 I1575 L1576 Q1577 | H1569-Q1573 PolarHBondContact CE1-NE2 3.25Å; H1569-Q1573 PolarHBondContact O-N 3.17Å; S1570-Q1573 PolarHBondContact O-N 3.47Å; F1571-Q1573 VanDerWaalsContact C-N 3.35Å; F1571-Q1573 PolarHBondContact O-N 3.35Å; Q1573-I1575 VanDerWaalsContact C-N 3.35Å; Q1573-I1575 PolarHBondContact O-N 2.63Å; Q1573-L1576 PolarHBondContact O-N 3.1Å; Q1573-Q1577 WeakPolarHBondContact O-CG 3.21Å; Q1573-Q1577 PolarHBondContact O-N 2.92Å |
| 1574 | R | 64.2 | Low | 46.4 | Very low | 181 Ų | 181 | 122.5 Ų | 122.5 | 68% | 0.683 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61 | -40.5 | 174.6 | -71.2 | -179.4 | -171.2 | 174.1 | 3.8 | 112.4 | S1570 F1571 R1572 K1578 | S1570-R1574 WeakPolarHBondContact O-CG 3.34Å; S1570-R1574 PolarHBondContact O-N 3.15Å; S1570-R1574 VanDerWaalsContact O-N 3.1Å; F1571-R1574 PolarHBondContact O-N 3.34Å; R1572-R1574 PolarHBondContact O-N 3.12Å; R1574-K1578 PolarHBondContact O-N 3Å |
| 1575 | I | 69 | Low | 46.8 | Very low | 83 Ų | 83 | 122 Ų | 122 | 43% | 0.426 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.1 | -45.9 | 177.3 | -69.7 | 173.4 | 0 | 0 | 0 | 111.2 | F1571 R1572 Q1573 K1578 K1579 | F1571-I1575 HydrophobicContact CD1-CD1 3.85Å; F1571-I1575 HydrophobicContact CE1-CD1 3.53Å; F1571-I1575 HydrophobicContact CZ-CD1 4.1Å; F1571-I1575 PolarHBondContact O-N 3.12Å; F1571-I1575 VanDerWaalsContact O-N 3.14Å; R1572-I1575 PolarHBondContact O-N 3.34Å; Q1573-I1575 VanDerWaalsContact C-N 3.35Å; Q1573-I1575 PolarHBondContact O-N 2.63Å; I1575-K1578 PolarHBondContact O-N 3.08Å; I1575-K1579 PolarHBondContact O-N 3.43Å |
| 1576 | L | 54.9 | Low | 46.9 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 60% | 0.602 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -64.4 | -40.4 | 178.6 | -70.3 | 170.5 | 0 | 0 | 0 | 111.9 | R1572 Q1573 K1579 S1580 | R1572-L1576 WeakPolarHBondContact O-CG 3.47Å; R1572-L1576 PolarHBondContact O-N 3.49Å; Q1573-L1576 PolarHBondContact O-N 3.1Å; L1576-K1579 PolarHBondContact O-N 2.74Å; L1576-S1580 WeakPolarHBondContact O-CB 3.29Å; L1576-S1580 PolarHBondContact O-N 2.85Å |
| 1577 | Q | 64.6 | Low | 46.9 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 58% | 0.584 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.3 | -37.3 | 172.8 | -73.8 | -173.5 | -1 | 0 | 0 | 112.8 | Q1573 S1580 K1581 | Q1573-Q1577 WeakPolarHBondContact O-CG 3.21Å; Q1573-Q1577 PolarHBondContact O-N 2.92Å; Q1577-S1580 PolarHBondContact O-N 3.48Å; Q1577-K1581 WeakPolarHBondContact O-CB 3.44Å; Q1577-K1581 WeakPolarHBondContact O-CG 3.43Å; Q1577-K1581 PolarHBondContact O-N 3.21Å |
| 1578 | K | 59.3 | Low | 46.4 | Very low | 174 Ų | 174 | 128.5 Ų | 128.5 | 76% | 0.757 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64 | -42.4 | 172.7 | -93.2 | -171.2 | 172.2 | -176.8 | 0 | 112.3 | R1574 I1575 K1582 | R1574-K1578 PolarHBondContact O-N 3Å; I1575-K1578 PolarHBondContact O-N 3.08Å; K1578-K1582 WeakPolarHBondContact O-CB 3.44Å; K1578-K1582 PolarHBondContact O-N 3.31Å |
| 1579 | K | 55 | Low | 45.7 | Very low | 150 Ų | 150 | 132 Ų | 132 | 65% | 0.652 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.7 | -46.6 | 173.6 | -83.7 | -165.8 | 171.5 | -170.8 | 0 | 111.8 | I1575 L1576 K1582 L1583 | I1575-K1579 PolarHBondContact O-N 3.43Å; L1576-K1579 PolarHBondContact O-N 2.74Å; K1579-K1582 PolarHBondContact O-N 3.02Å; K1579-L1583 PolarHBondContact O-N 3.33Å |
| 1580 | S | 47 | Very low | 44.9 | Very low | 72 Ų | 72 | 131.6 Ų | 131.6 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -58.4 | -50.5 | 177.8 | 166.9 | 0 | 0 | 0 | 0 | 112.5 | L1576 Q1577 K1582 L1583 Q1584 | L1576-S1580 WeakPolarHBondContact O-CB 3.29Å; L1576-S1580 PolarHBondContact O-N 2.85Å; Q1577-S1580 PolarHBondContact O-N 3.48Å; S1580-K1582 VanDerWaalsContact C-N 3.27Å; S1580-K1582 PolarHBondContact O-N 3.17Å; S1580-L1583 PolarHBondContact O-N 2.98Å; S1580-L1583 VanDerWaalsContact O-N 3.16Å; S1580-Q1584 PolarHBondContact O-N 3.41Å |
| 1581 | K | 46.8 | Very low | 44 | Very low | 152 Ų | 152 | 135 Ų | 135 | 66% | 0.661 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63 | -30.9 | 177.6 | -73.7 | -172.5 | 175.5 | -172 | 0 | 113.2 | Q1577 K1585 | Q1577-K1581 WeakPolarHBondContact O-CB 3.44Å; Q1577-K1581 WeakPolarHBondContact O-CG 3.43Å; Q1577-K1581 PolarHBondContact O-N 3.21Å; K1581-K1585 PolarHBondContact O-N 3.5Å |
| 1582 | K | 42.7 | Very low | 42.4 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 69% | 0.691 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.3 | -33 | 175.4 | -165.2 | 169.8 | -176.7 | 179 | 0 | 112.5 | K1578 K1579 S1580 L1586 | K1578-K1582 WeakPolarHBondContact O-CB 3.44Å; K1578-K1582 PolarHBondContact O-N 3.31Å; K1579-K1582 PolarHBondContact O-N 3.02Å; S1580-K1582 VanDerWaalsContact C-N 3.27Å; S1580-K1582 PolarHBondContact O-N 3.17Å; K1582-L1586 WeakPolarHBondContact O-CG 3.34Å |
| 1583 | L | 33.1 | Very low | 41.4 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 64% | 0.644 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71 | -39.9 | 171.4 | -80.3 | 162 | 0 | 0 | 0 | 112.4 | K1579 S1580 K1585 L1586 R1587 | K1579-L1583 PolarHBondContact O-N 3.33Å; S1580-L1583 PolarHBondContact O-N 2.98Å; S1580-L1583 VanDerWaalsContact O-N 3.16Å; L1583-K1585 PolarHBondContact O-N 2.98Å; L1583-L1586 WeakPolarHBondContact O-CB 3.44Å; L1583-L1586 PolarHBondContact O-N 2.72Å; L1583-R1587 PolarHBondContact O-N 2.87Å |
| 1584 | Q | 37.6 | Very low | 39.8 | Very low | 102 Ų | 102 | 135 Ų | 135 | 48% | 0.477 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -61.1 | -45.8 | 177.1 | -165.7 | 63.8 | 50.2 | 0 | 0 | 111.4 | S1580 L1586 R1587 D1588 | S1580-Q1584 PolarHBondContact O-N 3.41Å; Q1584-L1586 PolarHBondContact O-N 3.2Å; Q1584-R1587 WeakPolarHBondContact O-CB 3.27Å; Q1584-R1587 PolarHBondContact O-N 2.95Å; Q1584-D1588 WeakPolarHBondContact CG-OD2 3.49Å; Q1584-D1588 PolarHBondContact NE2-OD1 3.46Å; Q1584-D1588 VanDerWaalsContact NE2-OD1 3.11Å; Q1584-D1588 PolarHBondContact NE2-OD2 3.21Å |
| 1585 | K | 36.3 | Very low | 37.8 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 72% | 0.717 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -9.9 | 173.9 | -80.1 | -161.1 | 171 | -164.2 | 0 | 115.3 | K1581 L1583 | K1581-K1585 PolarHBondContact O-N 3.5Å; L1583-K1585 PolarHBondContact O-N 2.98Å |
| 1586 | L | 31.7 | Very low | 35.5 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 73% | 0.728 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -7.2 | 172.5 | -68.2 | 170.1 | 0 | 0 | 0 | 113.2 | K1582 L1583 Q1584 | K1582-L1586 WeakPolarHBondContact O-CG 3.34Å; L1583-L1586 WeakPolarHBondContact O-CB 3.44Å; L1583-L1586 PolarHBondContact O-N 2.72Å; Q1584-L1586 PolarHBondContact O-N 3.2Å |
| 1587 | R | 31.6 | Very low | 34.1 | Very low | 202 Ų | 202 | 136.2 Ų | 136.2 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -34.7 | 179 | -162.3 | 77.3 | -175.3 | -165.6 | 4.7 | 112.6 | L1583 Q1584 N1589 | L1583-R1587 PolarHBondContact O-N 2.87Å; Q1584-R1587 WeakPolarHBondContact O-CB 3.27Å; Q1584-R1587 PolarHBondContact O-N 2.95Å; R1587-N1589 PolarHBondContact O-N 3.41Å |
| 1588 | D | 26.9 | Very low | 32.1 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 56% | 0.561 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -95.6 | 25 | -160.1 | -53 | -30.3 | 0 | 0 | 0 | 114.2 | Q1584 | Q1584-D1588 WeakPolarHBondContact CG-OD2 3.49Å; Q1584-D1588 PolarHBondContact NE2-OD1 3.46Å; Q1584-D1588 VanDerWaalsContact NE2-OD1 3.11Å; Q1584-D1588 PolarHBondContact NE2-OD2 3.21Å |
| 1589 | N | 24.5 | Very low | 30.2 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 72% | 0.715 | S | S | * | * | trans | -130.3 | 51.1 | -173 | -88.9 | -38.4 | 0 | 0 | 0 | 113.7 | R1587 | R1587-N1589 PolarHBondContact O-N 3.41Š| ||
| 1590 | S | 22.6 | Very low | 28.6 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -153.4 | 51.1 | 178.6 | 67.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1591 | T | 22.1 | Very low | 27.5 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -140.6 | 103 | 173.4 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1592 | L | 22.7 | Very low | 26.2 | Very low | 151 Ų | 151 | 137 Ų | 137 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -164.2 | 166.9 | 141.8 | -144.7 | 51.6 | 0 | 0 | 0 | 113.8 | ||||
| 1593 | S | 23.1 | Very low | 25.1 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | -36 | 154.2 | 176 | -115.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 1594 | K | 20.4 | Very low | 24.5 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | cis | 60.8 | 95.5 | 34.3 | -82.2 | -162.7 | 175.4 | -172.5 | 0 | 115.9 | ||||
| 1595 | Q | 21.9 | Very low | 23.9 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -152.3 | 137.6 | 139.8 | -125.2 | 165.3 | -16.2 | 0 | 0 | 109 | ||||
| 1596 | A | 20.2 | Very low | 23.3 | Very low | 85 Ų | 85 | 135.6 Ų | 135.6 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | -141.5 | 114.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1597 | P | 26.7 | Very low | 22.9 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 124 | 169.9 | 31.6 | -29.1 | 0 | 0 | 0 | 109 | ||
| 1598 | N | 21.1 | Very low | 22.4 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 143.5 | 169.6 | -78.6 | -10.7 | 0 | 0 | 0 | 109.9 | S1600 | N1598-S1600 PolarHBondContact O-N 3.19Š|
| 1599 | T | 20.8 | Very low | 22.1 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 116.2 | 166.4 | 46.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1600 | S | 20.5 | Very low | 21.9 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 121.8 | 169.8 | 51.7 | 0 | 0 | 0 | 0 | 111 | N1598 | N1598-S1600 PolarHBondContact O-N 3.19Š|
| 1601 | L | 24.4 | Very low | 21.8 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 129.2 | 175.2 | -175.6 | 76.9 | 0 | 0 | 0 | 111 | ||
| 1602 | S | 19.7 | Very low | 21.8 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -166.6 | 148.1 | 168.8 | -77 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1603 | S | 19.8 | Very low | 21.7 | Very low | 96 Ų | 96 | 139.2 Ų | 139.2 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | cis | -165 | 144 | -14.3 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1604 | L | 20.9 | Very low | 21.6 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | 44.8 | 118.7 | 139.2 | -62 | 168.7 | 0 | 0 | 0 | 121.7 | ||||
| 1605 | Q | 23.8 | Very low | 21.6 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | 85.8 | 159.6 | 127.2 | -75.4 | -165.4 | -94.2 | 0 | 0 | 122.2 | |||||
| 1606 | P | 24.8 | Very low | 21.6 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | trans | -126.4 | -136.5 | -164.6 | 44.6 | -25.4 | 0 | 0 | 0 | 111.3 | ||||
| 1607 | S | 22.5 | Very low | 21.6 | Very low | 79 Ų | 79 | 141.7 Ų | 141.7 | 55% | 0.552 | 79% | 0.789 | S | S | * | * | trans | 75.2 | 114 | 163.7 | 28.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1608 | E | 20.6 | Very low | 21.3 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | 80.9 | 116.6 | 127.6 | -70.9 | 156.3 | -142.4 | 0 | 0 | 121.7 | |||||
| 1609 | Y | 20.2 | Very low | 21.5 | Very low | 214 Ų | 214 | 141.3 Ų | 141.3 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | 28.5 | 113.2 | 124.7 | -80.6 | -92.8 | 0 | 0 | 0 | 118.1 | |||||
| 1610 | N | 20.9 | Very low | 21.5 | Very low | 158 Ų | 158 | 141 Ų | 141 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | -155.2 | 157.8 | 104 | -122.6 | -43.9 | 0 | 0 | 0 | 113.5 | |||||
| 1611 | S | 20.6 | Very low | 21.6 | Very low | 91 Ų | 91 | 142.8 Ų | 142.8 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | -104.8 | 141.8 | 168 | -60 | 0 | 0 | 0 | 0 | 109 | ||||
| 1612 | N | 22 | Very low | 21.4 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | 157.6 | 166.2 | 134.7 | -80.1 | -28.2 | 0 | 0 | 0 | 113.9 | ||||
| 1613 | Q | 20.1 | Very low | 21.7 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | 66.6 | 93.2 | 163 | -75 | 172.5 | -30.6 | 0 | 0 | 117.8 | ||||
| 1614 | V | 21.1 | Very low | 21.7 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | 73.2 | 113.9 | 70.4 | 177.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1615 | N | 21 | Very low | 21.8 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | 53 | 119.2 | 154.1 | -58.2 | 6.3 | 0 | 0 | 0 | 120.9 | ||||
| 1616 | S | 21.6 | Very low | 21.9 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | -155.9 | 134.4 | 108 | -5.9 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1617 | E | 20.9 | Very low | 21.8 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -96.1 | 152.2 | 171.4 | -68.1 | -178.3 | 119.1 | 0 | 0 | 110.9 | ||||
| 1618 | S | 21 | Very low | 21.8 | Very low | 104 Ų | 104 | 150.6 Ų | 150.6 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 22.7 | 123.7 | 154.5 | 62.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1619 | I | 23.4 | Very low | 22 | Very low | 171 Ų | 171 | 148.1 Ų | 148.1 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -136.8 | 127.4 | 131.7 | -94.3 | 147.6 | 0 | 0 | 0 | 107.5 | ||||
| 1620 | N | 22 | Very low | 22.2 | Very low | 139 Ų | 139 | 146 Ų | 146 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -93.8 | 140.1 | 161.7 | -66.1 | -30.9 | 0 | 0 | 0 | 107.6 | ||||
| 1621 | N | 21.4 | Very low | 22.3 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | 169.5 | 143.8 | 119.7 | -84 | -15.2 | 0 | 0 | 0 | 113.1 | |||||
| 1622 | T | 21.1 | Very low | 22.2 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -38.1 | 137.9 | 163.5 | 48.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 1623 | T | 25.9 | Very low | 22.2 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -148.7 | 130.7 | 134.7 | -66.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1624 | L | 20.7 | Very low | 22.3 | Very low | 154 Ų | 154 | 144 Ų | 144 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | -102.3 | 135.8 | 171.6 | -76.7 | 167.5 | 0 | 0 | 0 | 108.9 | ||||
| 1625 | N | 22.2 | Very low | 22.2 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -158.6 | 140.7 | 140.2 | -119.5 | -0.5 | 0 | 0 | 0 | 109.5 | ||||
| 1626 | L | 25.4 | Very low | 22.2 | Very low | 138 Ų | 138 | 145.7 Ų | 145.7 | 72% | 0.723 | 81% | 0.806 | S | S | * | * | trans | -86.9 | 147.9 | 158.6 | -78.8 | 71.2 | 0 | 0 | 0 | 107.1 | ||||
| 1627 | D | 23.3 | Very low | 22.3 | Very low | 158 Ų | 158 | 144.1 Ų | 144.1 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | -169.1 | 148.6 | 111.3 | -97.9 | -28.4 | 0 | 0 | 0 | 111.6 | |||||
| 1628 | N | 23.5 | Very low | 22.4 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -96.9 | 132.4 | 167.4 | -70.4 | -72 | 0 | 0 | 0 | 108.2 | ||||
| 1629 | D | 24.1 | Very low | 22.7 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 66% | 0.658 | 79% | 0.794 | S | S | * | * | trans | -156.4 | 142.8 | 165.9 | -129.5 | -19.3 | 0 | 0 | 0 | 116.8 | ||||
| 1630 | K | 23.4 | Very low | 22.8 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | trans | 35.6 | 106.8 | 156.9 | -66.5 | 141.5 | -167.1 | 150.2 | 0 | 121.2 | ||||
| 1631 | S | 22.9 | Very low | 23.2 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | 176.1 | 121.6 | 114.1 | 44.1 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 1632 | F | 19 | Very low | 23.4 | Very low | 208 Ų | 208 | 143 Ų | 143 | 91% | 0.912 | 79% | 0.789 | S | S | * | * | 51.8 | 98.9 | 68.8 | -96 | -79 | 0 | 0 | 0 | 115.8 | |||||
| 1633 | S | 23.1 | Very low | 23.6 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | 164.2 | 158 | 121.1 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1634 | S | 20.6 | Very low | 23.5 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 59.1 | 129.1 | 162.4 | -108.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 1635 | L | 20.8 | Very low | 23.7 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | cis | 52 | 107.2 | 39.5 | -59.4 | 165.2 | 0 | 0 | 0 | 111.5 | ||||
| 1636 | D | 20.2 | Very low | 23.7 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | 177.7 | 163.8 | 76.7 | -165.6 | -16.9 | 0 | 0 | 0 | 109.7 | |||||
| 1637 | S | 23.1 | Very low | 23.5 | Very low | 93 Ų | 93 | 144.2 Ų | 144.2 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | trans | 70.5 | 141.7 | 149.3 | -74.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1638 | S | 24.5 | Very low | 23.7 | Very low | 108 Ų | 108 | 142.4 Ų | 142.4 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 64.2 | 143.6 | 167 | 64.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1639 | E | 27 | Very low | 24.2 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | cis | -148.3 | 143.7 | -13.6 | -118.6 | 176.9 | 138.4 | 0 | 0 | 110.7 | ||||
| 1640 | Y | 25.4 | Very low | 24.5 | Very low | 214 Ų | 214 | 139.6 Ų | 139.6 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -8.2 | 144.1 | -176.6 | -71.1 | -89.2 | 0 | 0 | 0 | 123.9 | ||||
| 1641 | P | 29.9 | Very low | 24.6 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | trans | -78.4 | 176 | 161 | 38.9 | -37.4 | 0 | 0 | 0 | 111.5 | ||||
| 1642 | P | 25.9 | Very low | 24.7 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | -140.1 | 136.3 | 100.2 | 36.4 | -24.8 | 0 | 0 | 0 | 115 | |||||
| 1643 | S | 23.9 | Very low | 25 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -75.3 | 135.8 | 159.2 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1644 | H | 25 | Very low | 25.1 | Very low | 191 Ų | 191 | 134 Ų | 134 | 88% | 0.884 | 77% | 0.765 | S | S | * | * | trans | -149.6 | 130.2 | 167.2 | -144.9 | -69.3 | 0 | 0 | 0 | 111.5 | ||||
| 1645 | S | 25.1 | Very low | 25.4 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | cis | -160.8 | 127.9 | -34.8 | 178.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1646 | T | 21.5 | Very low | 25.6 | Very low | 138 Ų | 138 | 138 Ų | 138 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | trans | -107 | 102.4 | 169.7 | -58.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1647 | W | 20.5 | Very low | 25.9 | Very low | 224 Ų | 224 | 138.2 Ų | 138.2 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | 20.8 | 118.8 | 152.9 | -76.5 | 59 | 0 | 0 | 0 | 118.7 | ||||
| 1648 | P | 28.6 | Very low | 26 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | -130.5 | 154.3 | 120.5 | 37.8 | -32.1 | 0 | 0 | 0 | 114.1 | |||||
| 1649 | P | 33.5 | Very low | 26.2 | Very low | 101 Ų | 101 | 144 Ų | 144 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | trans | -107.5 | -178.7 | 167 | 41.1 | -33.4 | 0 | 0 | 0 | 112 | ||||
| 1650 | P | 31.6 | Very low | 26.7 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | cis | -138.3 | 158.9 | -47.6 | 38.3 | -23.7 | 0 | 0 | 0 | 113.9 | ||||
| 1651 | S | 23.5 | Very low | 26.7 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | -171.5 | 125.8 | 150.8 | 53 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1652 | S | 25.5 | Very low | 26.6 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 77% | 0.765 | S | S | * | * | trans | 49.5 | 116.3 | 140.7 | 64.7 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1653 | N | 25 | Very low | 27.1 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | 69.3 | 113.9 | 121.4 | -58.6 | -6.8 | 0 | 0 | 0 | 123 | |||||
| 1654 | N | 25.6 | Very low | 27.2 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | 142.8 | 137.9 | 99.2 | -98.9 | -17.7 | 0 | 0 | 0 | 117.6 | |||||
| 1655 | T | 27.7 | Very low | 27.1 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | 59.5 | 122.2 | 151 | 56.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1656 | R | 23.7 | Very low | 27.1 | Very low | 225 Ų | 225 | 142 Ų | 142 | 85% | 0.849 | 76% | 0.761 | S | S | * | * | 151.8 | 109.4 | 97.4 | -171.4 | 174.5 | -176.4 | 159.1 | 1.1 | 116.5 | |||||
| 1657 | M | 26.5 | Very low | 27.3 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | 62.5 | 163.6 | 151.5 | -53.9 | -66.5 | -124.2 | 0 | 0 | 118.3 | ||||
| 1658 | N | 26.8 | Very low | 27.8 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 62% | 0.615 | 76% | 0.757 | S | S | * | * | cis | -158.9 | 148 | -16 | -114.5 | -3.9 | 0 | 0 | 0 | 111.9 | ||||
| 1659 | Y | 27.4 | Very low | 27.7 | Very low | 207 Ų | 207 | 140 Ų | 140 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | trans | 17.2 | 162.4 | 141.7 | -73.8 | -105.7 | 0 | 0 | 0 | 123.4 | ||||
| 1660 | P | 38.2 | Very low | 27.3 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | cis | -147.3 | -159.8 | -39.2 | 43.8 | -23.8 | 0 | 0 | 0 | 115.6 | ||||
| 1661 | S | 24.5 | Very low | 26.9 | Very low | 116 Ų | 116 | 145.6 Ų | 145.6 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | 82.3 | 161.1 | 164.2 | 79.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1662 | K | 28.8 | Very low | 27.1 | Very low | 197 Ų | 197 | 146.2 Ų | 146.2 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | cis | 171 | 161.6 | -41.5 | -116.4 | -167.3 | 173.7 | -169.5 | 0 | 107.6 | ||||
| 1663 | P | 36.4 | Very low | 27.3 | Very low | 88 Ų | 88 | 144.4 Ų | 144.4 | 57% | 0.571 | 77% | 0.771 | S | S | * | * | cis | -129 | -166.9 | -44.6 | 41.9 | -24.3 | 0 | 0 | 0 | 113.6 | ||||
| 1664 | E | 25.1 | Very low | 27.5 | Very low | 176 Ų | 176 | 146.5 Ų | 146.5 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | 66.7 | 150 | 156 | -75.8 | 151.3 | -139 | 0 | 0 | 120.7 | ||||
| 1665 | E | 24 | Very low | 27.6 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | cis | -159.2 | 159.1 | -19.7 | -174 | 171.5 | -140.9 | 0 | 0 | 112 | ||||
| 1666 | S | 24.3 | Very low | 27.9 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | 78.3 | 152.1 | 161.9 | 86.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1667 | S | 25.8 | Very low | 27.9 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | cis | -161.6 | 149.1 | -25.4 | 51.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 1668 | P | 32.3 | Very low | 27.9 | Very low | 131 Ų | 131 | 136 Ų | 136 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -114.5 | 171.1 | -179.9 | 40.6 | -33.6 | 0 | 0 | 0 | 115.8 | ||||
| 1669 | K | 26.2 | Very low | 27.8 | Very low | 201 Ų | 201 | 137.1 Ų | 137.1 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -94.4 | 138.8 | 177.1 | -82.3 | -178.4 | 176.3 | 174.6 | 0 | 114.8 | ||||
| 1670 | L | 23.9 | Very low | 27.4 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | 30.8 | 102.7 | 145.4 | -68.2 | 169.9 | 0 | 0 | 0 | 121.7 | ||||
| 1671 | K | 24.1 | Very low | 26.5 | Very low | 192 Ų | 192 | 133.7 Ų | 133.7 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | 56.3 | 147.4 | 114.4 | -75.9 | -174.7 | 174.2 | 179 | 0 | 123.1 | |||||
| 1672 | S | 27.4 | Very low | 26.4 | Very low | 126 Ų | 126 | 135 Ų | 135 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | trans | 72.4 | 116.7 | 168 | 68.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1673 | G | 30 | Very low | 26.2 | Very low | 59 Ų | 59 | 130.7 Ų | 130.7 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | cis | -172.9 | -168.9 | -4.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1674 | H | 29.5 | Very low | 26 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | 74 | 161.7 | 177 | -46 | -77.9 | 0 | 0 | 0 | 117 | ||||
| 1675 | T | 26.8 | Very low | 25.9 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | -177.7 | 163.4 | -88.3 | 38.4 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1676 | P | 33.7 | Very low | 25.9 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | -134.3 | 178.2 | -28.4 | 38.5 | -22.6 | 0 | 0 | 0 | 112.8 | G1678 | P1676-G1678 VanDerWaalsContact C-N 3.31Å; P1676-G1678 PolarHBondContact O-N 2.84Å; P1676-G1678 VanDerWaalsContact O-N 3.12Å | ||
| 1677 | S | 23.6 | Very low | 25.7 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -79.8 | 76.3 | 158.1 | 46.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1678 | G | 28 | Very low | 25.7 | Very low | 64 Ų | 64 | 145.2 Ų | 145.2 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | trans | -109.1 | 102.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1676 | P1676-G1678 VanDerWaalsContact C-N 3.31Å; P1676-G1678 PolarHBondContact O-N 2.84Å; P1676-G1678 VanDerWaalsContact O-N 3.12Å | ||
| 1679 | V | 23.5 | Very low | 25.2 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | -78.8 | 160.5 | 176.1 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1680 | S | 19 | Very low | 25.4 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | trans | 93.8 | 124 | 163.9 | -66.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1681 | L | 18.8 | Very low | 25.4 | Very low | 147 Ų | 147 | 140 Ų | 140 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | 54.7 | 129.2 | 122.5 | -55.1 | 171.7 | 0 | 0 | 0 | 117.9 | |||||
| 1682 | L | 24 | Very low | 25.3 | Very low | 144 Ų | 144 | 138 Ų | 138 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | cis | -164.6 | 144.7 | 16.4 | -109.3 | 153 | 0 | 0 | 0 | 110.3 | ||||
| 1683 | P | 24.1 | Very low | 25 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | trans | -84.5 | 175.5 | 149.5 | 38.9 | -35.9 | 0 | 0 | 0 | 110.1 | ||||
| 1684 | P | 31.4 | Very low | 24.7 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | -123.5 | 139.2 | -59.3 | 35.2 | -22.3 | 0 | 0 | 0 | 111.1 | |||||
| 1685 | T | 24 | Very low | 24.2 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | trans | -117 | 113.7 | -179.6 | 43.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1686 | R | 24.5 | Very low | 24 | Very low | 234 Ų | 234 | 137.6 Ų | 137.6 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | 64.2 | 126 | 168.5 | -69.3 | 177.1 | 174.1 | 159.8 | -0.4 | 115.2 | ||||
| 1687 | R | 19.7 | Very low | 23.6 | Very low | 240 Ų | 240 | 142.8 Ų | 142.8 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | cis | 49.9 | 77.9 | 29.2 | -67.8 | -171.6 | 178.9 | 173.8 | 0.1 | 114.2 | ||||
| 1688 | R | 24.4 | Very low | 23.5 | Very low | 226 Ų | 226 | 140 Ų | 140 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | -165.6 | 121.7 | 126.2 | -98.6 | 172.2 | 174.3 | -167.4 | -4 | 105.8 | |||||
| 1689 | L | 23.2 | Very low | 23.4 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | 69.9 | 141.7 | 70.4 | -72 | 171 | 0 | 0 | 0 | 112.4 | |||||
| 1690 | P | 30.8 | Very low | 23.3 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | -82.6 | 161.5 | -156.1 | 33.8 | -38 | 0 | 0 | 0 | 113.9 | ||||
| 1691 | A | 22.6 | Very low | 23.5 | Very low | 86 Ų | 86 | 146.8 Ų | 146.8 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | -131.1 | 124.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1692 | E | 22.3 | Very low | 23.6 | Very low | 151 Ų | 151 | 146 Ų | 146 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | 63.2 | 121.8 | 96.5 | -61.9 | -61.9 | 122.4 | 0 | 0 | 111.4 | |||||
| 1693 | N | 21.4 | Very low | 23.6 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | 49.1 | 126.3 | 85 | -55.3 | -38.6 | 0 | 0 | 0 | 111 | |||||
| 1694 | S | 23.2 | Very low | 23.5 | Very low | 97 Ų | 97 | 146.2 Ų | 146.2 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | cis | -170.8 | 159.3 | 38.5 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1695 | L | 19.9 | Very low | 23.3 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | 43.3 | 111.5 | 138.9 | -81.6 | 84.4 | 0 | 0 | 0 | 120.9 | ||||
| 1696 | S | 21.1 | Very low | 23.2 | Very low | 101 Ų | 101 | 145.7 Ų | 145.7 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | 47 | 115.6 | 127.5 | 67.3 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1697 | K | 26.2 | Very low | 23.1 | Very low | 216 Ų | 216 | 140 Ų | 140 | 94% | 0.939 | 77% | 0.766 | S | S | * | * | trans | -156.2 | 144.5 | 133.9 | -97.9 | 146.1 | -176 | 176 | 0 | 108.3 | ||||
| 1698 | G | 21.6 | Very low | 23.4 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | cis | 137.8 | 39.8 | -4.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1699 | S | 25.8 | Very low | 23.2 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | trans | -152.8 | 137 | 166.6 | -81.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1700 | R | 20.3 | Very low | 23.4 | Very low | 230 Ų | 230 | 130.3 Ų | 130.3 | 87% | 0.868 | 75% | 0.754 | S | S | * | * | cis | 72.3 | 122.5 | 46.3 | -163.7 | 176.3 | -173.1 | 169.6 | 2.3 | 110.2 | ||||
| 1701 | S | 23.6 | Very low | 22.9 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | -135.7 | 163.5 | 14 | 0.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1702 | T | 21.4 | Very low | 23.1 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | 44.5 | 129.5 | 83.1 | -10.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1703 | S | 23.7 | Very low | 23.1 | Very low | 86 Ų | 86 | 133.6 Ų | 133.6 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | cis | -171.7 | 155.5 | 39.3 | 53.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1704 | Q | 23.5 | Very low | 23.3 | Very low | 169 Ų | 169 | 135.5 Ų | 135.5 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | 62.3 | 155.4 | 141.5 | -70.3 | 175.2 | 9.6 | 0 | 0 | 118.5 | ||||
| 1705 | N | 25.6 | Very low | 23.4 | Very low | 142 Ų | 142 | 135 Ų | 135 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | cis | -142.4 | 166.5 | -1.8 | -115.4 | -18.8 | 0 | 0 | 0 | 110.6 | ||||
| 1706 | S | 21.5 | Very low | 23.4 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | -92.4 | -171.5 | 165.4 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1707 | V | 23 | Very low | 23.7 | Very low | 115 Ų | 115 | 143 Ų | 143 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | trans | 99.4 | 131.5 | 158.4 | -175.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1708 | N | 25.1 | Very low | 23.6 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | 67.5 | 126.1 | 170.3 | -65.5 | -10.7 | 0 | 0 | 0 | 117.6 | ||||
| 1709 | N | 20.9 | Very low | 23.8 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | cis | 59.7 | 96.3 | 37.6 | -76.1 | -1.3 | 0 | 0 | 0 | 115.4 | ||||
| 1710 | T | 27.1 | Very low | 23.9 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -138 | 120.5 | 148.7 | -50.3 | 0 | 0 | 0 | 0 | 108.7 | I1712 | T1710-I1712 HydrophobicContact CG2-CG1 4.34Š| ||
| 1711 | I | 21.5 | Very low | 24 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | trans | -87.6 | 130.4 | 167.5 | -66 | 170.2 | 0 | 0 | 0 | 107.2 | N1713 | I1711-N1713 WeakPolarHBondContact CG2-OD1 3.49Š| ||
| 1712 | I | 26.5 | Very low | 24 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -115.1 | 102.2 | 162.7 | -62.4 | -179.6 | 0 | 0 | 0 | 106.9 | T1710 | T1710-I1712 HydrophobicContact CG2-CG1 4.34Š| ||
| 1713 | N | 21.7 | Very low | 24.1 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | -70.7 | 148.5 | 161.2 | -62.7 | -27 | 0 | 0 | 0 | 108.2 | I1711 | I1711-N1713 WeakPolarHBondContact CG2-OD1 3.49Š| ||
| 1714 | H | 26.1 | Very low | 24 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | trans | -158.5 | 122.9 | 138.6 | -115.1 | -71.2 | 0 | 0 | 0 | 113 | ||||
| 1715 | S | 25.3 | Very low | 24 | Very low | 86 Ų | 86 | 139.8 Ų | 139.8 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | trans | 35.6 | 101.5 | 147.9 | 51.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1716 | E | 20.3 | Very low | 24.2 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | 22 | 121.6 | 109.1 | -58.9 | 172 | 136.6 | 0 | 0 | 117.4 | |||||
| 1717 | Y | 27 | Very low | 24.2 | Very low | 239 Ų | 239 | 140.9 Ų | 140.9 | 94% | 0.937 | 77% | 0.766 | S | S | * | * | trans | -140.1 | 135.2 | 136.3 | -117.6 | -83.7 | 0 | 0 | 0 | 108.8 | ||||
| 1718 | S | 23.6 | Very low | 24.3 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -88.4 | 151.1 | -178.9 | 47.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1719 | N | 25.8 | Very low | 24.3 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -144.2 | 151.7 | 146 | -152.5 | -1.5 | 0 | 0 | 0 | 110.5 | ||||
| 1720 | V | 28 | Very low | 24.6 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -86.5 | 154.5 | -153.4 | 176.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1721 | D | 23.3 | Very low | 24.5 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -67.6 | 155 | 176.1 | -59.7 | -85.8 | 0 | 0 | 0 | 115.5 | ||||
| 1722 | S | 23.4 | Very low | 24.5 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | 73.9 | 162.7 | 139 | 72.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1723 | N | 24 | Very low | 24.6 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | 72.5 | 143.9 | 168.9 | -57.8 | -10.7 | 0 | 0 | 0 | 116.2 | ||||
| 1724 | E | 21.7 | Very low | 24.7 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | cis | -150.6 | 172.7 | -2.6 | -130.1 | 169.5 | 161.7 | 0 | 0 | 113 | ||||
| 1725 | S | 21.9 | Very low | 24.6 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | -67.4 | 145.1 | -173.8 | 53.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1726 | T | 30 | Very low | 24.7 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -137 | 104.3 | 160.2 | 31.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1727 | N | 22.5 | Very low | 24.8 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 55.7 | 134.2 | 133.9 | -68.5 | -17.2 | 0 | 0 | 0 | 124.7 | ||||
| 1728 | S | 24.8 | Very low | 24.7 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | 65.5 | 109.4 | 137.5 | 60.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1729 | N | 24.2 | Very low | 24.8 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | 96.6 | 106.2 | 58.3 | -79.4 | -15.1 | 0 | 0 | 0 | 112 | |||||
| 1730 | L | 28.3 | Very low | 24.7 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 96% | 0.958 | 77% | 0.766 | S | S | * | * | trans | -152 | 140.2 | 141.5 | -105.4 | 160 | 0 | 0 | 0 | 107 | ||||
| 1731 | H | 23.6 | Very low | 24.5 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | -142 | 147 | -161.4 | -166 | -57 | 0 | 0 | 0 | 110.1 | ||||
| 1732 | C | 22.6 | Very low | 24.5 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | trans | 67.1 | 154.1 | -172.9 | -56.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1733 | T | 27.6 | Very low | 24.7 | Very low | 139 Ų | 139 | 134 Ų | 134 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | cis | -133.6 | 168.8 | 19.3 | 45.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1734 | D | 23.9 | Very low | 24.7 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -74.6 | 147 | -178 | -74.5 | -89.9 | 0 | 0 | 0 | 116.9 | ||||
| 1735 | N | 24.5 | Very low | 25.1 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 35.8 | 155.8 | 127.5 | -63.9 | -64.7 | 0 | 0 | 0 | 122.2 | |||||
| 1736 | P | 28.3 | Very low | 25 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | cis | -144 | -167.1 | -29.4 | 39.7 | -19.7 | 0 | 0 | 0 | 114.1 | ||||
| 1737 | I | 22 | Very low | 24.9 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | trans | 66.1 | 107.5 | 161.6 | -54.3 | 160.3 | 0 | 0 | 0 | 117.4 | ||||
| 1738 | T | 25.6 | Very low | 25 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -142.3 | 143.5 | 141.7 | 42.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1739 | N | 25.4 | Very low | 24.9 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | 29.3 | 110.7 | 158.3 | -58.3 | 17.1 | 0 | 0 | 0 | 120.1 | ||||
| 1740 | S | 23.2 | Very low | 24.9 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -65.2 | 136.2 | 131.9 | 54.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1741 | D | 24.1 | Very low | 24.9 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | -134.7 | 152.6 | 167.6 | -134.3 | -39.7 | 0 | 0 | 0 | 111.8 | ||||
| 1742 | T | 23.9 | Very low | 24.8 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -94.7 | 147.4 | -163.6 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1743 | S | 26.8 | Very low | 25 | Very low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -155 | 113.9 | 165 | -87.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1744 | L | 23.6 | Very low | 24.7 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | 49.8 | 108.3 | 129.3 | -53.6 | 173 | 0 | 0 | 0 | 118.8 | |||||
| 1745 | K | 29.6 | Very low | 25 | Very low | 204 Ų | 204 | 141.7 Ų | 141.7 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | -164.4 | 155.2 | 107.9 | -112.6 | 172.1 | -178.1 | 176.4 | 0 | 115.5 | |||||
| 1746 | L | 21 | Very low | 25 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -81.7 | -179.7 | 171 | -73.4 | 70 | 0 | 0 | 0 | 110.7 | ||||
| 1747 | S | 27.6 | Very low | 24.5 | Very low | 108 Ų | 108 | 147.7 Ų | 147.7 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 75.6 | 144.8 | 162.9 | 70.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1748 | D | 23.8 | Very low | 24.6 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | cis | 174.2 | 125.2 | -39.9 | -101.9 | -46.5 | 0 | 0 | 0 | 106.1 | ||||
| 1749 | Y | 24.1 | Very low | 24.6 | Very low | 199 Ų | 199 | 147 Ų | 147 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | 43.6 | 147.7 | 145.7 | -84.1 | -85.2 | 0 | 0 | 0 | 124.9 | ||||
| 1750 | D | 24.4 | Very low | 24.3 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | trans | 59.3 | 121.1 | 150.9 | -65.2 | -36.4 | 0 | 0 | 0 | 119 | ||||
| 1751 | K | 27.6 | Very low | 24.4 | Very low | 191 Ų | 191 | 148 Ų | 148 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | -154.2 | 133.4 | 54.6 | -78.9 | 162.3 | -178.6 | 160.5 | 0 | 113.2 | |||||
| 1752 | N | 22.2 | Very low | 24.4 | Very low | 160 Ų | 160 | 150.4 Ų | 150.4 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | -161.3 | 116 | 144.3 | -101 | -36.6 | 0 | 0 | 0 | 110.5 | ||||
| 1753 | P | 25.5 | Very low | 24.5 | Very low | 114 Ų | 114 | 150.7 Ų | 150.7 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -75 | 166.9 | 173.1 | 32.5 | -34.8 | 0 | 0 | 0 | 112.1 | ||
| 1754 | L | 21.6 | Very low | 24.3 | Very low | 168 Ų | 168 | 153.4 Ų | 153.4 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 133.1 | -176.3 | -80.3 | 61.8 | 0 | 0 | 0 | 113.3 | ||
| 1755 | P | 30.1 | Very low | 24.2 | Very low | 120 Ų | 120 | 151.4 Ų | 151.4 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 153.9 | 150.8 | 35 | -30.8 | 0 | 0 | 0 | 111.6 | ||
| 1756 | D | 24 | Very low | 24.1 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 170.4 | -174.1 | -75 | -70.4 | 0 | 0 | 0 | 116.5 | P1758 | D1756-P1758 WeakPolarHBondContact O-CD 3.48Š|
| 1757 | K | 19.6 | Very low | 24.5 | Very low | 204 Ų | 204 | 144.4 Ų | 144.4 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 124.5 | 167.9 | -64.9 | 164.1 | -177.6 | 158.1 | 0 | 111.4 | ||
| 1758 | P | 23.7 | Very low | 24.3 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | -121.8 | 155.3 | 163.6 | 6.7 | 18.1 | 0 | 0 | 0 | 113.9 | D1756 | D1756-P1758 WeakPolarHBondContact O-CD 3.48Š| ||
| 1759 | Q | 24.1 | Very low | 24.6 | Very low | 166 Ų | 166 | 144.5 Ų | 144.5 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | 49.2 | 99.2 | 150.1 | -54.6 | -57.6 | -16.1 | 0 | 0 | 119.3 | ||||
| 1760 | L | 20.4 | Very low | 24.7 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -104.8 | 77.7 | 174.3 | -143.4 | 177.2 | 0 | 0 | 0 | 110.9 | K1762 | L1760-K1762 PolarHBondContact O-N 3.24Š| ||
| 1761 | N | 25.5 | Very low | 25.1 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | -76.5 | 104.8 | 175 | -84.2 | -23.6 | 0 | 0 | 0 | 110.7 | ||||
| 1762 | K | 23.7 | Very low | 25.5 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 81% | 0.809 | 76% | 0.757 | S | S | * | * | trans | -87.8 | 114.3 | -178.3 | -162.4 | 171.9 | -173.9 | 177.9 | 0 | 111 | L1760 | L1760-K1762 PolarHBondContact O-N 3.24Š| ||
| 1763 | V | 24.9 | Very low | 26.4 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | trans | -66.9 | 141.9 | -179.1 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1764 | R | 23.7 | Very low | 27.6 | Very low | 161 Ų | 161 | 127 Ų | 127 | 61% | 0.608 | 73% | 0.728 | S | S | * | * | trans | -70.7 | 123.2 | 172.5 | -172.3 | 177.4 | -177.4 | -171.3 | -5.2 | 108.6 | V1766 Q1800 E1804 | R1764-V1766 PolarHBondContact O-N 2.75Å; R1764-Q1800 VanDerWaalsContact NH1-NE2 3.15Å; R1764-E1804 IonicContact NH1-OE1 3.85Å | ||
| 1765 | S | 20.9 | Very low | 29.7 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | trans | -69.3 | 102.5 | -176.1 | 53.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1766 | V | 27.5 | Very low | 31.9 | Very low | 108 Ų | 108 | 116.7 Ų | 116.7 | 66% | 0.655 | 67% | 0.67 | S | S | * | * | trans | -104.6 | 152.3 | 158.4 | 178.6 | 0 | 0 | 0 | 0 | 106.7 | R1764 S1768 | R1764-V1766 PolarHBondContact O-N 2.75Å; V1766-S1768 PolarHBondContact O-N 2.87Å | ||
| 1767 | V | 30.1 | Very low | 34.5 | Very low | 97 Ų | 97 | 113.5 Ų | 113.5 | 59% | 0.588 | 66% | 0.658 | S | S | * | * | trans | -25.5 | 128.2 | 170.2 | 178.8 | 0 | 0 | 0 | 0 | 113.1 | E418 L1769 | E418-V1767 WeakPolarHBondContact OE1-CG2 3.42Å; V1767-L1769 PolarHBondContact O-N 3.39Å | ||
| 1768 | S | 23.6 | Very low | 37.3 | Very low | 124 Ų | 124 | 105.4 Ų | 105.4 | 87% | 0.867 | 63% | 0.627 | S | S | * | * | trans | -67.4 | 61.4 | -172.5 | -59 | 0 | 0 | 0 | 0 | 115.4 | V1766 A1770 | V1766-S1768 PolarHBondContact O-N 2.87Å; S1768-A1770 PolarHBondContact O-N 2.87Å | ||
| 1769 | L | 28.6 | Very low | 40.4 | Very low | 120 Ų | 120 | 100.2 Ų | 100.2 | 63% | 0.628 | 59% | 0.593 | S | S | * | * | trans | -77 | 106.3 | 167 | -151.6 | 75.5 | 0 | 0 | 0 | 108.6 | V1767 G1771 | V1767-L1769 PolarHBondContact O-N 3.39Å; L1769-G1771 PolarHBondContact O-N 2.92Å | ||
| 1770 | A | 27.8 | Very low | 43.4 | Very low | 90 Ų | 90 | 93.1 Ų | 93.1 | 74% | 0.744 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 129.3 | -164.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | S1768 T1772 | S1768-A1770 PolarHBondContact O-N 2.87Å; A1770-T1772 VanDerWaalsContact C-N 3.3Å; A1770-T1772 PolarHBondContact O-N 3.26Å |
| 1771 | G | 32.2 | Very low | 46.6 | Very low | 86 Ų | 86 | 92.7 Ų | 92.7 | 89% | 0.887 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.9 | 6.1 | 150.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | L1769 | L1769-G1771 PolarHBondContact O-N 2.92Š|
| 1772 | T | 36.1 | Very low | 49.7 | Very low | 97 Ų | 97 | 87.5 Ų | 87.5 | 60% | 0.595 | 53% | 0.531 | S | S | * | . | trans | -115.3 | 139.9 | 178.7 | 52.2 | 0 | 0 | 0 | 0 | 112 | A1770 | A1770-T1772 VanDerWaalsContact C-N 3.3Å; A1770-T1772 PolarHBondContact O-N 3.26Å | ||
| 1773 | P | 40.2 | Very low | 52.9 | Low | 91 Ų | 91 | 78.7 Ų | 78.7 | 59% | 0.591 | 49% | 0.493 | S | S | * | . | trans | -67 | 156.2 | 173.7 | 29.2 | -34.5 | 0 | 0 | 0 | 110.5 | T1775 | P1773-T1775 HydrophobicContact CG-CG2 4.38Å; P1773-T1775 WeakPolarHBondContact O-CG2 3.49Å; P1773-T1775 PolarHBondContact O-N 2.86Å | ||
| 1774 | P | 51 | Low | 55.9 | Low | 62 Ų | 62 | 77.6 Ų | 77.6 | 40% | 0.403 | 48% | 0.482 | S | S | . | . | trans | -67.5 | 95.4 | -179.5 | 29.8 | -36.9 | 0 | 0 | 0 | 110.4 | L1797 I1801 | P1774-L1797 HydrophobicContact CB-CD1 3.66Å; P1774-L1797 HydrophobicContact CB-CG 4.41Å; P1774-I1801 HydrophobicContact CB-CD1 4.12Å; P1774-I1801 HydrophobicContact CB-CG1 3.93Å; P1774-I1801 HydrophobicContact CG-CG1 4.42Å; P1774-I1801 WeakPolarHBondContact O-CD1 3.09Å | ||
| 1775 | T | 66.6 | Low | 59 | Low | 61 Ų | 61 | 71.1 Ų | 71.1 | 37% | 0.374 | 46% | 0.461 | S | S | . | . | trans | -93.2 | 139.6 | -179.8 | 61.9 | 0 | 0 | 0 | 0 | 111.1 | P1773 P1777 S1778 A1779 | P1773-T1775 HydrophobicContact CG-CG2 4.38Å; P1773-T1775 WeakPolarHBondContact O-CG2 3.49Å; P1773-T1775 PolarHBondContact O-N 2.86Å; T1775-P1777 VanDerWaalsContact C-CD 3.48Å; T1775-P1777 VanDerWaalsContact C-N 3.35Å; T1775-S1778 WeakPolarHBondContact O-CB 3.33Å; T1775-S1778 PolarHBondContact O-N 2.77Å; T1775-A1779 PolarHBondContact O-N 2.73Å | ||
| 1776 | L | 75.5 | Confident | 62.1 | Low | 10 Ų | 10 | 73.3 Ų | 73.3 | 5% | 0.052 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -52.9 | -42.4 | 178.6 | -172.8 | 84.8 | 0 | 0 | 0 | 113.4 | S1778 A1779 L1780 L1798 L1839 T1843 | L1776-S1778 VanDerWaalsContact C-N 3.28Å; L1776-S1778 PolarHBondContact O-N 3.31Å; L1776-A1779 PolarHBondContact O-N 3.39Å; L1776-L1780 HydrophobicContact CD2-CD1 4.33Å; L1776-L1780 HydrophobicContact CG-CD1 4.18Å; L1776-L1780 HydrophobicContact CG-CG 4.44Å; L1776-L1780 WeakPolarHBondContact O-CG 3.43Å; L1776-L1780 PolarHBondContact O-N 3.16Å; L1776-L1798 HydrophobicContact CD1-CD1 3.63Å; L1776-L1839 HydrophobicContact CD1-CD1 4.2Å; L1776-L1839 HydrophobicContact CD2-CD1 3.4Å; L1776-L1839 HydrophobicContact CG-CD1 4.42Å; L1776-T1843 HydrophobicContact CD2-CG2 4.48Å |
| 1777 | P | 78.7 | Confident | 65.2 | Low | 91 Ų | 91 | 73.2 Ų | 73.2 | 59% | 0.591 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -63.4 | -30.7 | 177 | -23.2 | 36.3 | 0 | 0 | 0 | 113.7 | T1775 N1781 | T1775-P1777 VanDerWaalsContact C-CD 3.48Å; T1775-P1777 VanDerWaalsContact C-N 3.35Å; P1777-N1781 WeakPolarHBondContact O-CB 3.33Å; P1777-N1781 PolarHBondContact O-N 2.78Å |
| 1778 | S | 79.4 | Confident | 68.1 | Low | 34 Ų | 34 | 72.1 Ų | 72.1 | 24% | 0.238 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.8 | -46.3 | 174.6 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | T1775 L1776 L1780 N1781 L1782 | T1775-S1778 WeakPolarHBondContact O-CB 3.33Å; T1775-S1778 PolarHBondContact O-N 2.77Å; L1776-S1778 VanDerWaalsContact C-N 3.28Å; L1776-S1778 PolarHBondContact O-N 3.31Å; S1778-L1780 VanDerWaalsContact C-N 3.34Å; S1778-L1780 PolarHBondContact O-N 3.17Å; S1778-N1781 PolarHBondContact O-N 3.29Å; S1778-L1782 WeakPolarHBondContact O-CG 3.21Å; S1778-L1782 PolarHBondContact O-N 3.43Å |
| 1779 | A | 87.6 | Confident | 71.5 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1775 L1776 N1781 L1782 I1783 L1797 L1798 I1801 | T1775-A1779 PolarHBondContact O-N 2.73Å; L1776-A1779 PolarHBondContact O-N 3.39Å; A1779-N1781 PolarHBondContact O-N 3.29Å; A1779-L1782 PolarHBondContact O-N 2.67Å; A1779-I1783 WeakPolarHBondContact O-CD1 2.78Å; A1779-I1783 VanDerWaalsContact O-CG1 3.23Å; A1779-I1783 WeakPolarHBondContact O-CG1 3.36Å; A1779-I1783 PolarHBondContact O-N 3.27Å; A1779-L1797 HydrophobicContact CB-CB 4.25Å; A1779-L1797 HydrophobicContact CB-CD2 3.94Å; A1779-L1797 HydrophobicContact CB-CG 4.12Å; A1779-L1798 HydrophobicContact CB-CB 4.35Å; A1779-I1801 HydrophobicContact CB-CD1 4.32Å |
| 1780 | L | 86.6 | Confident | 74.5 | Confident | 17 Ų | 17 | 69.2 Ų | 69.2 | 9% | 0.089 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 175.8 | -68.9 | 174.3 | 0 | 0 | 0 | 112.9 | L1776 S1778 I1783 N1784 A1847 | L1776-L1780 HydrophobicContact CD2-CD1 4.33Å; L1776-L1780 HydrophobicContact CG-CD1 4.18Å; L1776-L1780 HydrophobicContact CG-CG 4.44Å; L1776-L1780 WeakPolarHBondContact O-CG 3.43Å; L1776-L1780 PolarHBondContact O-N 3.16Å; S1778-L1780 VanDerWaalsContact C-N 3.34Å; S1778-L1780 PolarHBondContact O-N 3.17Å; L1780-I1783 PolarHBondContact O-N 3.37Å; L1780-N1784 WeakPolarHBondContact O-CB 3.47Å; L1780-N1784 VanDerWaalsContact O-CG 3.29Å; L1780-N1784 PolarHBondContact O-N 3.29Å; L1780-N1784 PolarHBondContact O-ND2 2.83Å; L1780-A1847 HydrophobicContact CD2-CB 3.87Å |
| 1781 | N | 88.3 | Confident | 77.6 | Confident | 120 Ų | 120 | 66.5 Ų | 66.5 | 64% | 0.642 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 177 | -166.5 | 53.9 | 0 | 0 | 0 | 111.4 | P1777 S1778 A1779 N1784 S1785 | P1777-N1781 WeakPolarHBondContact O-CB 3.33Å; P1777-N1781 PolarHBondContact O-N 2.78Å; S1778-N1781 PolarHBondContact O-N 3.29Å; A1779-N1781 PolarHBondContact O-N 3.29Å; N1781-N1784 CarbonylContact O-C 3.54Å; N1781-N1784 PolarHBondContact O-N 3.47Å; N1781-S1785 PolarHBondContact O-N 3.24Å |
| 1782 | L | 90.5 | Very high | 80.6 | Confident | 36 Ų | 36 | 64 Ų | 64 | 19% | 0.188 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 175.4 | -71.1 | 169.9 | 0 | 0 | 0 | 112.4 | S1778 A1779 N1784 S1785 D1790 L1797 | S1778-L1782 WeakPolarHBondContact O-CG 3.21Å; S1778-L1782 PolarHBondContact O-N 3.43Å; A1779-L1782 PolarHBondContact O-N 2.67Å; L1782-N1784 PolarHBondContact O-N 2.74Å; L1782-S1785 WeakPolarHBondContact O-CB 3.22Å; L1782-S1785 PolarHBondContact O-N 2.63Å; L1782-S1785 VanDerWaalsContact O-N 3.1Å; L1782-D1790 HydrophobicContact CD2-CB 3.96Å; L1782-D1790 CarbonylContact O-C 3.59Å; L1782-L1797 HydrophobicContact CD1-CD2 4.22Å |
| 1783 | I | 90.9 | Very high | 83.4 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.2 | -31.2 | 174.7 | -62.4 | 163.6 | 0 | 0 | 0 | 111.7 | A1779 L1780 K1791 L1795 L1798 A1850 E1854 | A1779-I1783 WeakPolarHBondContact O-CD1 2.78Å; A1779-I1783 VanDerWaalsContact O-CG1 3.23Å; A1779-I1783 WeakPolarHBondContact O-CG1 3.36Å; A1779-I1783 PolarHBondContact O-N 3.27Å; L1780-I1783 PolarHBondContact O-N 3.37Å; I1783-K1791 WeakPolarHBondContact O-CD 3.13Å; I1783-K1791 WeakPolarHBondContact O-CE 3.47Å; I1783-K1791 WeakPolarHBondContact O-CG 3.45Å; I1783-L1795 HydrophobicContact CD1-CD2 4.06Å; I1783-L1795 HydrophobicContact CD1-CG 4.47Å; I1783-L1795 HydrophobicContact CG1-CD2 4.14Å; I1783-L1795 HydrophobicContact CG1-CG 4.1Å; I1783-L1795 HydrophobicContact CG2-CD2 4.41Å; I1783-L1798 HydrophobicContact CD1-CB 4.24Å; I1783-L1798 HydrophobicContact CD1-CD2 3.82Å; I1783-A1850 HydrophobicContact CG2-CB 3.79Å; I1783-E1854 HydrophobicContact CG2-CG 4.11Å |
| 1784 | N | 88.4 | Confident | 85.9 | Confident | 109 Ų | 109 | 57.1 Ų | 57.1 | 58% | 0.583 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 0.7 | 176.4 | -70.4 | -43.4 | 0 | 0 | 0 | 114.2 | L1780 N1781 L1782 | L1780-N1784 WeakPolarHBondContact O-CB 3.47Å; L1780-N1784 VanDerWaalsContact O-CG 3.29Å; L1780-N1784 PolarHBondContact O-N 3.29Å; L1780-N1784 PolarHBondContact O-ND2 2.83Å; N1781-N1784 CarbonylContact O-C 3.54Å; N1781-N1784 PolarHBondContact O-N 3.47Å; L1782-N1784 PolarHBondContact O-N 2.74Å |
| 1785 | S | 89.5 | Confident | 88 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -60.8 | 161.1 | 172.5 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | N1781 L1782 D1787 D1790 K1791 | N1781-S1785 PolarHBondContact O-N 3.24Å; L1782-S1785 WeakPolarHBondContact O-CB 3.22Å; L1782-S1785 PolarHBondContact O-N 2.63Å; L1782-S1785 VanDerWaalsContact O-N 3.1Å; S1785-D1787 PolarHBondContact OG-N 3.02Å; S1785-D1790 VanDerWaalsContact CB-CB 3.47Å; S1785-D1790 VanDerWaalsContact CB-OD2 3.24Å; S1785-D1790 WeakPolarHBondContact CB-OD2 3.21Å; S1785-D1790 PolarHBondContact OG-OD2 3.48Å; S1785-K1791 WeakPolarHBondContact O-CE 3.34Å |
| 1786 | N | 85.7 | Confident | 89.3 | Confident | 162 Ų | 162 | 56.4 Ų | 56.4 | 87% | 0.866 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -80 | -25.6 | 168.9 | -67.8 | -65.8 | 0 | 0 | 0 | 111.4 | ||
| 1787 | D | 91.3 | Very high | 90 | Very high | 106 Ų | 106 | 57.9 Ų | 57.9 | 57% | 0.567 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -84.5 | 133.1 | -173.4 | -70.1 | -62.8 | 0 | 0 | 0 | 112.1 | S1785 E1789 D1790 K1791 | S1785-D1787 PolarHBondContact OG-N 3.02Å; D1787-E1789 VanDerWaalsContact C-N 3.26Å; D1787-E1789 PolarHBondContact O-N 2.9Å; D1787-D1790 PolarHBondContact O-N 2.81Å; D1787-K1791 WeakPolarHBondContact O-CG 3.17Å; D1787-K1791 PolarHBondContact O-N 2.85Å |
| 1788 | W | 91.1 | Very high | 90.6 | Very high | 73 Ų | 73 | 53.7 Ų | 53.7 | 28% | 0.277 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -72.3 | -20.9 | -168.8 | 73.9 | -78.1 | 0 | 0 | 0 | 113.6 | V1792 R1859 Q1861 V1862 | W1788-V1792 HydrophobicContact CE3-CG2 4.35Å; W1788-V1792 WeakPolarHBondContact O-CG2 3.41Å; W1788-V1792 PolarHBondContact O-N 3.25Å; W1788-R1859 VanDerWaalsContact CG-NH1 3.32Å; W1788-Q1861 HydrophobicContact CZ3-CB 4.29Å; W1788-V1862 HydrophobicContact CB-CG2 3.98Å; W1788-V1862 HydrophobicContact CE3-CG2 4.36Å |
| 1789 | E | 94.6 | Very high | 91.1 | Very high | 123 Ų | 123 | 52.6 Ų | 52.6 | 58% | 0.575 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -77.3 | -48.2 | 178.5 | -63.2 | 175.3 | -171.7 | 0 | 0 | 109.8 | D1787 K1791 V1792 A1793 | D1787-E1789 VanDerWaalsContact C-N 3.26Å; D1787-E1789 PolarHBondContact O-N 2.9Å; E1789-K1791 PolarHBondContact O-N 2.72Å; E1789-V1792 PolarHBondContact O-N 3.13Å; E1789-A1793 WeakPolarHBondContact O-CB 3.21Å; E1789-A1793 PolarHBondContact O-N 3.38Å |
| 1790 | D | 92.5 | Very high | 91 | Very high | 61 Ų | 61 | 55.2 Ų | 55.2 | 33% | 0.326 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -50.6 | -44.9 | 167.5 | -72.5 | -10.5 | 0 | 0 | 0 | 111.2 | L1782 S1785 D1787 V1792 A1793 G1794 | L1782-D1790 HydrophobicContact CD2-CB 3.96Å; L1782-D1790 CarbonylContact O-C 3.59Å; S1785-D1790 VanDerWaalsContact CB-CB 3.47Å; S1785-D1790 VanDerWaalsContact CB-OD2 3.24Å; S1785-D1790 WeakPolarHBondContact CB-OD2 3.21Å; S1785-D1790 PolarHBondContact OG-OD2 3.48Å; D1787-D1790 PolarHBondContact O-N 2.81Å; D1790-V1792 PolarHBondContact O-N 3.42Å; D1790-A1793 PolarHBondContact O-N 3.17Å; D1790-G1794 PolarHBondContact O-N 3.21Å |
| 1791 | K | 93.7 | Very high | 90.9 | Very high | 33 Ų | 33 | 54.8 Ų | 54.8 | 14% | 0.143 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 177.9 | -67.8 | -158.1 | 177.7 | -164.3 | 0 | 112.8 | I1783 S1785 D1787 E1789 L1795 E1854 V1862 | I1783-K1791 WeakPolarHBondContact O-CD 3.13Å; I1783-K1791 WeakPolarHBondContact O-CE 3.47Å; I1783-K1791 WeakPolarHBondContact O-CG 3.45Å; S1785-K1791 WeakPolarHBondContact O-CE 3.34Å; D1787-K1791 WeakPolarHBondContact O-CG 3.17Å; D1787-K1791 PolarHBondContact O-N 2.85Å; E1789-K1791 PolarHBondContact O-N 2.72Å; K1791-L1795 WeakPolarHBondContact O-CB 3.37Å; K1791-L1795 WeakPolarHBondContact O-CD1 3.49Å; K1791-L1795 WeakPolarHBondContact O-CG 3.41Å; K1791-L1795 PolarHBondContact O-N 2.78Å; K1791-E1854 HydrophobicContact CD-CG 4.2Å; K1791-E1854 WeakPolarHBondContact CD-OE2 3.28Å; K1791-E1854 VanDerWaalsContact NZ-CD 3.31Å; K1791-E1854 IonicContact NZ-OE1 3.3Å; K1791-E1854 PolarHBondContact NZ-OE1 2.71Å; K1791-E1854 IonicContact NZ-OE2 2.77Å; K1791-V1862 HydrophobicContact CB-CG1 4.06Å; K1791-V1862 HydrophobicContact CD-CG1 4.38Å |
| 1792 | V | 95 | Very high | 90.6 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 20% | 0.2 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65 | -46.9 | 177.1 | 169 | 0 | 0 | 0 | 0 | 110.3 | W1788 E1789 D1790 G1794 L1795 E1796 V1862 Q1865 | W1788-V1792 HydrophobicContact CE3-CG2 4.35Å; W1788-V1792 WeakPolarHBondContact O-CG2 3.41Å; W1788-V1792 PolarHBondContact O-N 3.25Å; E1789-V1792 PolarHBondContact O-N 3.13Å; D1790-V1792 PolarHBondContact O-N 3.42Å; V1792-G1794 PolarHBondContact O-N 3.01Å; V1792-L1795 PolarHBondContact O-N 2.94Å; V1792-E1796 WeakPolarHBondContact O-CB 3.44Å; V1792-E1796 PolarHBondContact O-N 3.46Å; V1792-V1862 HydrophobicContact CG2-CG2 4.21Å; V1792-Q1865 HydrophobicContact CG1-CG 4.19Å; V1792-Q1865 HydrophobicContact CG2-CB 4.42Å |
| 1793 | A | 93.8 | Very high | 90.1 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1789 D1790 E1796 L1797 | E1789-A1793 WeakPolarHBondContact O-CB 3.21Å; E1789-A1793 PolarHBondContact O-N 3.38Å; D1790-A1793 PolarHBondContact O-N 3.17Å; A1793-E1796 PolarHBondContact O-N 2.73Å; A1793-L1797 WeakPolarHBondContact O-CB 3.49Å; A1793-L1797 PolarHBondContact O-N 3.15Å |
| 1794 | G | 94.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.5 | -37.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D1790 V1792 L1798 | D1790-G1794 PolarHBondContact O-N 3.21Å; V1792-G1794 PolarHBondContact O-N 3.01Å; G1794-L1798 WeakPolarHBondContact O-CB 3.43Å; G1794-L1798 PolarHBondContact O-N 3.05Å |
| 1795 | L | 94.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67 | -42.9 | 173.1 | -72.4 | 167.7 | 0 | 0 | 0 | 111.5 | I1783 K1791 V1792 L1798 A1799 V1851 E1854 V1862 Q1865 A1866 T1869 | I1783-L1795 HydrophobicContact CD1-CD2 4.06Å; I1783-L1795 HydrophobicContact CD1-CG 4.47Å; I1783-L1795 HydrophobicContact CG1-CD2 4.14Å; I1783-L1795 HydrophobicContact CG1-CG 4.1Å; I1783-L1795 HydrophobicContact CG2-CD2 4.41Å; K1791-L1795 WeakPolarHBondContact O-CB 3.37Å; K1791-L1795 WeakPolarHBondContact O-CD1 3.49Å; K1791-L1795 WeakPolarHBondContact O-CG 3.41Å; K1791-L1795 PolarHBondContact O-N 2.78Å; V1792-L1795 PolarHBondContact O-N 2.94Å; L1795-L1798 PolarHBondContact O-N 2.98Å; L1795-A1799 PolarHBondContact O-N 2.91Å; L1795-V1851 HydrophobicContact CD2-CB 4.48Å; L1795-V1851 HydrophobicContact CD2-CG2 3.76Å; L1795-E1854 HydrophobicContact CD1-CB 4.23Å; L1795-V1862 HydrophobicContact CD1-CG1 4.16Å; L1795-Q1865 HydrophobicContact CB-CG 3.69Å; L1795-Q1865 HydrophobicContact CD1-CB 4.14Å; L1795-Q1865 HydrophobicContact CD1-CG 4.21Å; L1795-A1866 HydrophobicContact CD1-CB 3.9Å; L1795-A1866 HydrophobicContact CD2-CB 4.3Å; L1795-T1869 HydrophobicContact CD2-CG2 4.29Å; L1795-T1869 VanDerWaalsContact O-CG2 3.29Å; L1795-T1869 WeakPolarHBondContact O-CG2 3.43Å; L1795-T1869 PolarHBondContact O-OG1 3.31Å; L1795-T1869 VanDerWaalsContact O-OG1 3.13Å |
| 1796 | E | 94 | Very high | 85.7 | Confident | 107 Ų | 107 | 57.8 Ų | 57.8 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 174.3 | -175.8 | 167.2 | -162.7 | 0 | 0 | 112.1 | V1792 A1793 L1798 A1799 Q1800 | V1792-E1796 WeakPolarHBondContact O-CB 3.44Å; V1792-E1796 PolarHBondContact O-N 3.46Å; A1793-E1796 PolarHBondContact O-N 2.73Å; E1796-L1798 VanDerWaalsContact C-N 3.33Å; E1796-L1798 PolarHBondContact O-N 3.13Å; E1796-A1799 WeakPolarHBondContact O-CB 3.22Å; E1796-A1799 PolarHBondContact O-N 3.24Å; E1796-Q1800 WeakPolarHBondContact O-CB 3.4Å; E1796-Q1800 PolarHBondContact O-N 3.34Å |
| 1797 | L | 91.1 | Very high | 84.3 | Confident | 42 Ų | 42 | 52 Ų | 52 | 22% | 0.22 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 175 | -170 | 64.2 | 0 | 0 | 0 | 111.6 | P1774 A1779 L1782 A1793 Q1800 I1801 | P1774-L1797 HydrophobicContact CB-CD1 3.66Å; P1774-L1797 HydrophobicContact CB-CG 4.41Å; A1779-L1797 HydrophobicContact CB-CB 4.25Å; A1779-L1797 HydrophobicContact CB-CD2 3.94Å; A1779-L1797 HydrophobicContact CB-CG 4.12Å; L1782-L1797 HydrophobicContact CD1-CD2 4.22Å; A1793-L1797 WeakPolarHBondContact O-CB 3.49Å; A1793-L1797 PolarHBondContact O-N 3.15Å; L1797-Q1800 PolarHBondContact O-N 3.17Å; L1797-I1801 HydrophobicContact CG-CD1 4.16Å; L1797-I1801 WeakPolarHBondContact O-CB 3.47Å; L1797-I1801 WeakPolarHBondContact O-CD1 3.43Å; L1797-I1801 WeakPolarHBondContact O-CG1 3.41Å; L1797-I1801 PolarHBondContact O-N 3.4Å |
| 1798 | L | 90.4 | Very high | 82.2 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 174.4 | 178.6 | 62.5 | 0 | 0 | 0 | 112 | L1776 A1779 I1783 G1794 L1795 E1796 V1802 A1847 V1851 T1869 L1873 | L1776-L1798 HydrophobicContact CD1-CD1 3.63Å; A1779-L1798 HydrophobicContact CB-CB 4.35Å; I1783-L1798 HydrophobicContact CD1-CB 4.24Å; I1783-L1798 HydrophobicContact CD1-CD2 3.82Å; G1794-L1798 WeakPolarHBondContact O-CB 3.43Å; G1794-L1798 PolarHBondContact O-N 3.05Å; L1795-L1798 PolarHBondContact O-N 2.98Å; E1796-L1798 VanDerWaalsContact C-N 3.33Å; E1796-L1798 PolarHBondContact O-N 3.13Å; L1798-V1802 HydrophobicContact CD1-CG2 4.34Å; L1798-V1802 WeakPolarHBondContact O-CB 3.36Å; L1798-V1802 WeakPolarHBondContact O-CG2 3.14Å; L1798-V1802 PolarHBondContact O-N 3.45Å; L1798-A1847 HydrophobicContact CD1-CB 4.31Å; L1798-A1847 HydrophobicContact CD2-CB 4.26Å; L1798-V1851 HydrophobicContact CD2-CG2 3.58Å; L1798-T1869 HydrophobicContact CB-CG2 4.4Å; L1798-T1869 HydrophobicContact CD2-CG2 4.17Å; L1798-T1869 HydrophobicContact CG-CG2 4.3Å; L1798-L1873 HydrophobicContact CD2-CD1 4.44Å |
| 1799 | A | 90.2 | Very high | 79.9 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61 | -49.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1795 E1796 I1801 V1802 T1803 T1869 | L1795-A1799 PolarHBondContact O-N 2.91Å; E1796-A1799 WeakPolarHBondContact O-CB 3.22Å; E1796-A1799 PolarHBondContact O-N 3.24Å; A1799-I1801 PolarHBondContact O-N 3.11Å; A1799-V1802 PolarHBondContact O-N 3.07Å; A1799-T1803 PolarHBondContact O-N 3.5Å; A1799-T1803 PolarHBondContact O-OG1 3.3Å; A1799-T1803 VanDerWaalsContact O-OG1 3.07Å; A1799-T1869 HydrophobicContact CB-CG2 4.17Å |
| 1800 | Q | 85.9 | Confident | 77.4 | Confident | 56 Ų | 56 | 49.9 Ų | 49.9 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | -179 | -174.9 | 74.8 | 1.4 | 0 | 0 | 112 | R1764 E1796 L1797 V1802 T1803 E1804 | R1764-Q1800 VanDerWaalsContact NH1-NE2 3.15Å; E1796-Q1800 WeakPolarHBondContact O-CB 3.4Å; E1796-Q1800 PolarHBondContact O-N 3.34Å; L1797-Q1800 PolarHBondContact O-N 3.17Å; Q1800-V1802 VanDerWaalsContact C-N 3.29Å; Q1800-V1802 PolarHBondContact O-N 3.41Å; Q1800-T1803 PolarHBondContact O-N 2.86Å; Q1800-T1803 PolarHBondContact O-OG1 3.28Å; Q1800-E1804 PolarHBondContact NE2-OE1 3.39Å; Q1800-E1804 PolarHBondContact NE2-OE2 3.34Å; Q1800-E1804 PolarHBondContact O-N 3.2Å |
| 1801 | I | 84.1 | Confident | 74.5 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55 | -45.7 | 174.9 | -73 | 164.4 | 0 | 0 | 0 | 110.8 | P1774 A1779 L1797 A1799 Q1805 L1837 | P1774-I1801 HydrophobicContact CB-CD1 4.12Å; P1774-I1801 HydrophobicContact CB-CG1 3.93Å; P1774-I1801 HydrophobicContact CG-CG1 4.42Å; P1774-I1801 WeakPolarHBondContact O-CD1 3.09Å; A1779-I1801 HydrophobicContact CB-CD1 4.32Å; L1797-I1801 HydrophobicContact CG-CD1 4.16Å; L1797-I1801 WeakPolarHBondContact O-CB 3.47Å; L1797-I1801 WeakPolarHBondContact O-CD1 3.43Å; L1797-I1801 WeakPolarHBondContact O-CG1 3.41Å; L1797-I1801 PolarHBondContact O-N 3.4Å; A1799-I1801 PolarHBondContact O-N 3.11Å; I1801-Q1805 WeakPolarHBondContact O-CB 3.36Å; I1801-Q1805 PolarHBondContact O-N 2.79Å; I1801-L1837 HydrophobicContact CG2-CD1 3.8Å |
| 1802 | V | 82.6 | Confident | 71.4 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -79 | -24.5 | -173.3 | 171.2 | 0 | 0 | 0 | 0 | 113.1 | L1798 A1799 Q1800 L1873 L1877 | L1798-V1802 HydrophobicContact CD1-CG2 4.34Å; L1798-V1802 WeakPolarHBondContact O-CB 3.36Å; L1798-V1802 WeakPolarHBondContact O-CG2 3.14Å; L1798-V1802 PolarHBondContact O-N 3.45Å; A1799-V1802 PolarHBondContact O-N 3.07Å; Q1800-V1802 VanDerWaalsContact C-N 3.29Å; Q1800-V1802 PolarHBondContact O-N 3.41Å; V1802-L1873 HydrophobicContact CG1-CD2 4.34Å; V1802-L1873 HydrophobicContact CG2-CD2 4.01Å; V1802-L1877 HydrophobicContact CG1-CD1 4.18Å; V1802-L1877 HydrophobicContact CG1-CD2 4.35Å; V1802-L1877 HydrophobicContact CG1-CG 3.75Å |
| 1803 | T | 78.8 | Confident | 68.1 | Low | 59 Ų | 59 | 62.2 Ų | 62.2 | 36% | 0.362 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -89.2 | -27.9 | 176.4 | 53 | 0 | 0 | 0 | 0 | 114.5 | A1799 Q1800 | A1799-T1803 PolarHBondContact O-N 3.5Å; A1799-T1803 PolarHBondContact O-OG1 3.3Å; A1799-T1803 VanDerWaalsContact O-OG1 3.07Å; Q1800-T1803 PolarHBondContact O-N 2.86Å; Q1800-T1803 PolarHBondContact O-OG1 3.28Å |
| 1804 | E | 70.2 | Confident | 64.7 | Low | 131 Ų | 131 | 69.6 Ų | 69.6 | 61% | 0.612 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -98.6 | -15.7 | -175.9 | -68.4 | -168.7 | 164.2 | 0 | 0 | 114.8 | R1764 Q1800 | R1764-E1804 IonicContact NH1-OE1 3.85Å; Q1800-E1804 PolarHBondContact NE2-OE1 3.39Å; Q1800-E1804 PolarHBondContact NE2-OE2 3.34Å; Q1800-E1804 PolarHBondContact O-N 3.2Å |
| 1805 | Q | 60.2 | Low | 61.5 | Low | 59 Ų | 59 | 75.6 Ų | 75.6 | 28% | 0.276 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -109 | 139 | -180 | -60.1 | -177.5 | 2.3 | 0 | 0 | 112 | I1801 V1807 L1837 | I1801-Q1805 WeakPolarHBondContact O-CB 3.36Å; I1801-Q1805 PolarHBondContact O-N 2.79Å; Q1805-V1807 VanDerWaalsContact C-N 3.32Å; Q1805-V1807 PolarHBondContact O-N 3.26Å; Q1805-L1837 VanDerWaalsContact OE1-CB 3.24Å |
| 1806 | S | 47.3 | Very low | 58.1 | Low | 98 Ų | 98 | 79 Ų | 79 | 69% | 0.685 | 44% | 0.44 | S | S | * | . | trans | -73.9 | 83.1 | 174.1 | 59.7 | 0 | 0 | 0 | 0 | 110.9 | H1808 | S1806-H1808 PolarHBondContact O-N 3.16Š| ||
| 1807 | V | 54.9 | Low | 54.8 | Low | 41 Ų | 41 | 80 Ų | 80 | 25% | 0.248 | 46% | 0.458 | C | S | . | . | trans | -67.8 | 117.8 | -178.4 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | Q1805 L1839 L1877 | Q1805-V1807 VanDerWaalsContact C-N 3.32Å; Q1805-V1807 PolarHBondContact O-N 3.26Å; V1807-L1839 HydrophobicContact CG1-CB 3.65Å; V1807-L1839 HydrophobicContact CG1-CD2 3.98Å; V1807-L1839 HydrophobicContact CG1-CG 4.48Å; V1807-L1877 HydrophobicContact CB-CD2 3.85Å; V1807-L1877 HydrophobicContact CG1-CD2 3.67Å; V1807-L1877 HydrophobicContact CG2-CD2 4.07Å | ||
| 1808 | H | 47 | Very low | 51.5 | Low | 148 Ų | 148 | 80.9 Ų | 80.9 | 69% | 0.685 | 47% | 0.472 | S | S | * | . | trans | -104.5 | 104.7 | 170.8 | -153.5 | -55.5 | 0 | 0 | 0 | 109.6 | S1806 V1810 | S1806-H1808 PolarHBondContact O-N 3.16Å; H1808-V1810 PolarHBondContact O-N 3.05Å | ||
| 1809 | L | 42.8 | Very low | 48.3 | Very low | 42 Ų | 42 | 86.1 Ų | 86.1 | 22% | 0.22 | 51% | 0.509 | C | S | . | . | trans | -65.8 | 125.9 | 174.5 | -170.3 | 81.5 | 0 | 0 | 0 | 109.3 | L1844 A1880 | L1809-L1844 HydrophobicContact CD1-CD2 4.1Å; L1809-A1880 HydrophobicContact CB-CB 4.33Å; L1809-A1880 HydrophobicContact CD2-CB 4.01Å | ||
| 1810 | V | 43.5 | Very low | 45.1 | Very low | 67 Ų | 67 | 90.2 Ų | 90.2 | 41% | 0.406 | 54% | 0.542 | S | S | . | . | trans | -91.3 | 108.6 | 173.7 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | H1808 T1812 I1838 | H1808-V1810 PolarHBondContact O-N 3.05Å; V1810-T1812 HydrophobicContact CG1-CG2 4.32Å; V1810-T1812 PolarHBondContact O-N 2.84Å; V1810-T1812 VanDerWaalsContact O-N 3.16Å; V1810-I1838 HydrophobicContact CB-CG2 4.47Å; V1810-I1838 HydrophobicContact CG2-CG2 3.81Å | ||
| 1811 | Q | 30.8 | Very low | 42.1 | Very low | 157 Ų | 157 | 91.6 Ų | 91.6 | 73% | 0.734 | 57% | 0.572 | S | S | * | * | trans | -77.3 | 93.4 | 167.4 | -73.6 | -171.4 | -26.6 | 0 | 0 | 109.7 | T1813 | Q1811-T1813 VanDerWaalsContact C-N 3.31Å; Q1811-T1813 PolarHBondContact O-N 3.09Å | ||
| 1812 | T | 27.9 | Very low | 39.3 | Very low | 117 Ų | 117 | 96.3 Ų | 96.3 | 72% | 0.718 | 61% | 0.606 | S | S | * | * | trans | -69.9 | 86.9 | 167.7 | 25.9 | 0 | 0 | 0 | 0 | 110.5 | V1810 Q1814 | V1810-T1812 HydrophobicContact CG1-CG2 4.32Å; V1810-T1812 PolarHBondContact O-N 2.84Å; V1810-T1812 VanDerWaalsContact O-N 3.16Å; T1812-Q1814 PolarHBondContact O-N 3.47Å; T1812-Q1814 VanDerWaalsContact O-N 3.15Å | ||
| 1813 | T | 25.5 | Very low | 36.4 | Very low | 112 Ų | 112 | 101.9 Ų | 101.9 | 69% | 0.687 | 65% | 0.645 | S | S | * | * | trans | -63 | 110 | 165.4 | 48 | 0 | 0 | 0 | 0 | 109.3 | Q1811 T1815 | Q1811-T1813 VanDerWaalsContact C-N 3.31Å; Q1811-T1813 PolarHBondContact O-N 3.09Å; T1813-T1815 PolarHBondContact O-N 3.08Å | ||
| 1814 | Q | 24.2 | Very low | 33.8 | Very low | 198 Ų | 198 | 109.6 Ų | 109.6 | 93% | 0.925 | 67% | 0.667 | S | S | * | * | trans | -69.4 | 95.2 | 173.2 | -76.9 | -172.8 | -8.8 | 0 | 0 | 110.8 | T1812 | T1812-Q1814 PolarHBondContact O-N 3.47Å; T1812-Q1814 VanDerWaalsContact O-N 3.15Å | ||
| 1815 | T | 26.1 | Very low | 31.5 | Very low | 127 Ų | 127 | 112.3 Ų | 112.3 | 78% | 0.779 | 68% | 0.68 | S | S | * | * | trans | -117.9 | 100.5 | 154.8 | 51.1 | 0 | 0 | 0 | 0 | 107.1 | T1813 | T1813-T1815 PolarHBondContact O-N 3.08Š| ||
| 1816 | G | 23.1 | Very low | 29.8 | Very low | 72 Ų | 72 | 115.1 Ų | 115.1 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | trans | -70.3 | 145.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1817 | S | 24.4 | Very low | 28.6 | Very low | 126 Ų | 126 | 114.7 Ų | 114.7 | 88% | 0.881 | 71% | 0.705 | S | S | * | * | trans | -160.2 | 142.8 | 159 | -80.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1818 | A | 22 | Very low | 27.2 | Very low | 61 Ų | 61 | 119.1 Ų | 119.1 | 50% | 0.504 | 73% | 0.733 | S | S | . | * | trans | -77.3 | 169.5 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E941 | E941-A1818 VanDerWaalsContact OE2-CB 3.31Å; E941-A1818 WeakPolarHBondContact OE2-CB 3.47Å | ||
| 1819 | S | 22.5 | Very low | 26.1 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | 98.2 | 127.6 | 137.7 | 78.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1820 | A | 23.8 | Very low | 25.3 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | trans | 57.2 | 84 | 130.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1821 | G | 22.2 | Very low | 24.2 | Very low | 85 Ų | 85 | 127.4 Ų | 127.4 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | 45.9 | 102.8 | 111.7 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 1822 | S | 24.9 | Very low | 23.9 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -128.5 | 115.7 | 148.7 | -164.1 | 0 | 0 | 0 | 0 | 109.1 | R1824 | S1822-R1824 PolarHBondContact O-N 2.86Š| ||
| 1823 | S | 22.4 | Very low | 23.7 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -74.4 | 107 | 177.4 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1824 | R | 23.7 | Very low | 23.7 | Very low | 220 Ų | 220 | 123.4 Ų | 123.4 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | -136.8 | 113.3 | 160.2 | -70.6 | -170.2 | 175.2 | -156.3 | -2.8 | 108.3 | S1822 P1826 | S1822-R1824 PolarHBondContact O-N 2.86Å; R1824-P1826 WeakPolarHBondContact O-CD 3.34Å | ||
| 1825 | Q | 21.9 | Very low | 24.1 | Very low | 188 Ų | 188 | 119.4 Ų | 119.4 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 120 | 156.3 | -73.1 | -173.9 | -16.7 | 0 | 0 | 108 | ||
| 1826 | P | 25.6 | Very low | 24.6 | Very low | 119 Ų | 119 | 117.9 Ų | 117.9 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 142.9 | 154.8 | -1.3 | 21.4 | 0 | 0 | 0 | 108.1 | R1824 | R1824-P1826 WeakPolarHBondContact O-CD 3.34Š|
| 1827 | A | 22 | Very low | 25.8 | Very low | 88 Ų | 88 | 116.6 Ų | 116.6 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -65 | 156.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1829 | A1827-N1829 PolarHBondContact O-N 3.32Å; A1827-N1829 VanDerWaalsContact O-N 3.11Å |
| 1828 | T | 24.9 | Very low | 27.3 | Very low | 135 Ų | 135 | 116 Ų | 116 | 83% | 0.828 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -48.7 | 109.1 | 168.8 | 47 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1829 | N | 24.1 | Very low | 29.5 | Very low | 158 Ų | 158 | 113.5 Ų | 113.5 | 85% | 0.845 | 71% | 0.713 | S | S | * | * | trans | -165.5 | 61.6 | 165.2 | -101.6 | -33.6 | 0 | 0 | 0 | 112.7 | A1827 | A1827-N1829 PolarHBondContact O-N 3.32Å; A1827-N1829 VanDerWaalsContact O-N 3.11Å | ||
| 1830 | L | 25.3 | Very low | 32 | Very low | 168 Ų | 168 | 111 Ų | 111 | 88% | 0.88 | 69% | 0.693 | S | S | * | * | trans | -129.7 | 78.2 | 163.6 | -81.8 | 174.5 | 0 | 0 | 0 | 109.7 | ||||
| 1831 | S | 20.4 | Very low | 34.4 | Very low | 104 Ų | 104 | 109.5 Ų | 109.5 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | trans | -75.8 | 149.9 | 164.3 | -170.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1832 | S | 24.2 | Very low | 37.1 | Very low | 119 Ų | 119 | 111.8 Ų | 111.8 | 83% | 0.832 | 66% | 0.662 | S | S | * | * | trans | 50.9 | 68.1 | 166.6 | 59.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1833 | S | 25.4 | Very low | 39.8 | Very low | 101 Ų | 101 | 108.4 Ų | 108.4 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | trans | -129.1 | 138.1 | 147.9 | 62.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1834 | A | 25.7 | Very low | 42.7 | Very low | 83 Ų | 83 | 102.7 Ų | 102.7 | 69% | 0.686 | 60% | 0.597 | S | S | * | * | trans | -70.6 | 149.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1836 | A1834-T1836 PolarHBondContact O-N 3.35Š| ||
| 1835 | P | 31.8 | Very low | 45.7 | Very low | 113 Ų | 113 | 94.3 Ų | 94.3 | 73% | 0.734 | 57% | 0.572 | S | S | * | * | trans | -72.4 | 90.6 | -177.5 | 29.7 | -35.3 | 0 | 0 | 0 | 111.5 | L1837 | P1835-L1837 PolarHBondContact O-N 2.73Å; P1835-L1837 VanDerWaalsContact O-N 3.08Å | ||
| 1836 | T | 36.3 | Very low | 48.7 | Very low | 95 Ų | 95 | 89.8 Ų | 89.8 | 58% | 0.583 | 55% | 0.55 | S | S | * | * | trans | -63.1 | 106.4 | 163.8 | 37.8 | 0 | 0 | 0 | 0 | 109.4 | A1834 I1838 | A1834-T1836 PolarHBondContact O-N 3.35Å; T1836-I1838 PolarHBondContact O-N 3.08Å; T1836-I1838 VanDerWaalsContact O-N 3.1Å | ||
| 1837 | L | 49.2 | Very low | 51.6 | Low | 45 Ų | 45 | 84.2 Ų | 84.2 | 24% | 0.236 | 51% | 0.514 | C | S | . | . | trans | -71 | 104.9 | -178.8 | -158.1 | 172.4 | 0 | 0 | 0 | 109.6 | I1801 Q1805 P1835 L1839 | I1801-L1837 HydrophobicContact CG2-CD1 3.8Å; Q1805-L1837 VanDerWaalsContact OE1-CB 3.24Å; P1835-L1837 PolarHBondContact O-N 2.73Å; P1835-L1837 VanDerWaalsContact O-N 3.08Å; L1837-L1839 PolarHBondContact O-N 3.46Å | ||
| 1838 | I | 55.7 | Low | 54.8 | Low | 114 Ų | 114 | 80.1 Ų | 80.1 | 59% | 0.585 | 48% | 0.481 | S | S | * | . | trans | -72.3 | 91.6 | 178.3 | -57.8 | 175.6 | 0 | 0 | 0 | 108.6 | V1810 T1836 T1840 | V1810-I1838 HydrophobicContact CB-CG2 4.47Å; V1810-I1838 HydrophobicContact CG2-CG2 3.81Å; T1836-I1838 PolarHBondContact O-N 3.08Å; T1836-I1838 VanDerWaalsContact O-N 3.1Å; I1838-T1840 PolarHBondContact O-N 2.86Å | ||
| 1839 | L | 67.5 | Low | 57.9 | Low | 8 Ų | 8 | 78.7 Ų | 78.7 | 4% | 0.042 | 46% | 0.464 | C | S | . | . | trans | -74.7 | 119.6 | 173.3 | -168.2 | 65.2 | 0 | 0 | 0 | 109.1 | L1776 V1807 L1837 L1844 L1877 | L1776-L1839 HydrophobicContact CD1-CD1 4.2Å; L1776-L1839 HydrophobicContact CD2-CD1 3.4Å; L1776-L1839 HydrophobicContact CG-CD1 4.42Å; V1807-L1839 HydrophobicContact CG1-CB 3.65Å; V1807-L1839 HydrophobicContact CG1-CD2 3.98Å; V1807-L1839 HydrophobicContact CG1-CG 4.48Å; L1837-L1839 PolarHBondContact O-N 3.46Å; L1839-L1844 HydrophobicContact CD2-CB 4.01Å; L1839-L1844 HydrophobicContact CD2-CD1 4.03Å; L1839-L1844 HydrophobicContact CD2-CG 4.43Å; L1839-L1844 HydrophobicContact CG-CB 4.06Å; L1839-L1877 HydrophobicContact CD2-CD1 4.26Å; L1839-L1877 HydrophobicContact CD2-CD2 3.85Å | ||
| 1840 | T | 76 | Confident | 61.1 | Low | 61 Ų | 61 | 71.5 Ų | 71.5 | 37% | 0.374 | 43% | 0.427 | S | S | . | . | trans | -86 | 152.5 | 175.4 | 66.2 | 0 | 0 | 0 | 0 | 110.3 | I1838 E1842 T1843 L1844 | I1838-T1840 PolarHBondContact O-N 2.86Å; T1840-E1842 PolarHBondContact O-N 3.01Å; T1840-E1842 VanDerWaalsContact O-N 3.12Å; T1840-T1843 PolarHBondContact N-OG1 2.7Å; T1840-T1843 VanDerWaalsContact N-OG1 3.1Å; T1840-T1843 PolarHBondContact O-N 3.18Å; T1840-T1843 VanDerWaalsContact O-N 3.14Å; T1840-T1843 PolarHBondContact O-OG1 3.17Å; T1840-T1843 VanDerWaalsContact O-OG1 3.11Å; T1840-T1843 WeakPolarHBondContact OG1-CG2 3.49Å; T1840-T1843 PolarHBondContact OG1-N 2.69Å; T1840-T1843 PolarHBondContact OG1-OG1 3.25Å; T1840-L1844 WeakPolarHBondContact O-CB 3.23Å; T1840-L1844 PolarHBondContact O-N 2.88Å | ||
| 1841 | T | 72.8 | Confident | 64.3 | Low | 65 Ų | 65 | 63.5 Ų | 63.5 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -55.3 | -32.1 | 177.2 | -43.9 | 0 | 0 | 0 | 0 | 112.6 | S1845 | T1841-S1845 WeakPolarHBondContact O-CB 3.39Å; T1841-S1845 PolarHBondContact O-N 3.38Å; T1841-S1845 PolarHBondContact O-OG 3.5Å |
| 1842 | E | 79.4 | Confident | 67.7 | Low | 133 Ų | 133 | 58.9 Ų | 58.9 | 62% | 0.621 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -72.2 | -49.3 | 175.8 | -172 | -178.6 | 175.5 | 0 | 0 | 112.5 | T1840 L1844 S1845 Q1846 | T1840-E1842 PolarHBondContact O-N 3.01Å; T1840-E1842 VanDerWaalsContact O-N 3.12Å; E1842-L1844 VanDerWaalsContact C-N 3.3Å; E1842-L1844 PolarHBondContact O-N 3.13Å; E1842-S1845 WeakPolarHBondContact O-CA 3.43Å; E1842-S1845 WeakPolarHBondContact O-CB 3.48Å; E1842-S1845 PolarHBondContact O-N 2.6Å; E1842-Q1846 WeakPolarHBondContact O-CG 3.49Å; E1842-Q1846 PolarHBondContact O-N 2.86Å; E1842-Q1846 PolarHBondContact OE1-NE2 3.38Å |
| 1843 | T | 81.7 | Confident | 70.8 | Confident | 37 Ų | 37 | 56.6 Ų | 56.6 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.7 | -32.9 | 179.4 | 50.7 | 0 | 0 | 0 | 0 | 112.1 | L1776 T1840 A1847 | L1776-T1843 HydrophobicContact CD2-CG2 4.48Å; T1840-T1843 PolarHBondContact N-OG1 2.7Å; T1840-T1843 VanDerWaalsContact N-OG1 3.1Å; T1840-T1843 PolarHBondContact O-N 3.18Å; T1840-T1843 VanDerWaalsContact O-N 3.14Å; T1840-T1843 PolarHBondContact O-OG1 3.17Å; T1840-T1843 VanDerWaalsContact O-OG1 3.11Å; T1840-T1843 WeakPolarHBondContact OG1-CG2 3.49Å; T1840-T1843 PolarHBondContact OG1-N 2.69Å; T1840-T1843 PolarHBondContact OG1-OG1 3.25Å; T1843-A1847 WeakPolarHBondContact O-CB 3.44Å; T1843-A1847 PolarHBondContact O-N 2.92Å |
| 1844 | L | 84.2 | Confident | 73.9 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.2 | -48.1 | 165.9 | 174.7 | 56.6 | 0 | 0 | 0 | 111.7 | L1809 L1839 T1840 E1842 Q1846 A1847 V1848 L1877 M1881 | L1809-L1844 HydrophobicContact CD1-CD2 4.1Å; L1839-L1844 HydrophobicContact CD2-CB 4.01Å; L1839-L1844 HydrophobicContact CD2-CD1 4.03Å; L1839-L1844 HydrophobicContact CD2-CG 4.43Å; L1839-L1844 HydrophobicContact CG-CB 4.06Å; T1840-L1844 WeakPolarHBondContact O-CB 3.23Å; T1840-L1844 PolarHBondContact O-N 2.88Å; E1842-L1844 VanDerWaalsContact C-N 3.3Å; E1842-L1844 PolarHBondContact O-N 3.13Å; L1844-Q1846 VanDerWaalsContact C-N 3.31Å; L1844-Q1846 PolarHBondContact O-N 3.45Å; L1844-A1847 PolarHBondContact O-N 2.94Å; L1844-V1848 HydrophobicContact CD1-CG2 3.67Å; L1844-V1848 HydrophobicContact CG-CG2 4.37Å; L1844-V1848 WeakPolarHBondContact O-CB 3.34Å; L1844-V1848 WeakPolarHBondContact O-CG2 3.43Å; L1844-V1848 PolarHBondContact O-N 3.49Å; L1844-L1877 HydrophobicContact CD1-CD1 3.51Å; L1844-M1881 HydrophobicContact CD1-CE 3.89Å |
| 1845 | S | 85.2 | Confident | 76.8 | Confident | 44 Ų | 44 | 48.6 Ų | 48.6 | 31% | 0.308 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 179.3 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | T1841 E1842 Q1849 H1884 | T1841-S1845 WeakPolarHBondContact O-CB 3.39Å; T1841-S1845 PolarHBondContact O-N 3.38Å; T1841-S1845 PolarHBondContact O-OG 3.5Å; E1842-S1845 WeakPolarHBondContact O-CA 3.43Å; E1842-S1845 WeakPolarHBondContact O-CB 3.48Å; E1842-S1845 PolarHBondContact O-N 2.6Å; S1845-Q1849 WeakPolarHBondContact O-CB 3.35Å; S1845-Q1849 PolarHBondContact O-N 3.36Å; S1845-H1884 PolarHBondContact OG-CE1 3.4Å |
| 1846 | Q | 85.4 | Confident | 79.4 | Confident | 92 Ų | 92 | 49.7 Ų | 49.7 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.8 | -47.6 | 174.8 | -67.9 | 173.6 | 11.3 | 0 | 0 | 111.4 | E1842 L1844 Q1849 A1850 | E1842-Q1846 WeakPolarHBondContact O-CG 3.49Å; E1842-Q1846 PolarHBondContact O-N 2.86Å; E1842-Q1846 PolarHBondContact OE1-NE2 3.38Å; L1844-Q1846 VanDerWaalsContact C-N 3.31Å; L1844-Q1846 PolarHBondContact O-N 3.45Å; Q1846-Q1849 PolarHBondContact O-N 2.85Å; Q1846-A1850 WeakPolarHBondContact O-CB 3.48Å; Q1846-A1850 PolarHBondContact O-N 3.09Å |
| 1847 | A | 87.3 | Confident | 81.8 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1780 L1798 T1843 L1844 Q1849 A1850 V1851 | L1780-A1847 HydrophobicContact CD2-CB 3.87Å; L1798-A1847 HydrophobicContact CD1-CB 4.31Å; L1798-A1847 HydrophobicContact CD2-CB 4.26Å; T1843-A1847 WeakPolarHBondContact O-CB 3.44Å; T1843-A1847 PolarHBondContact O-N 2.92Å; L1844-A1847 PolarHBondContact O-N 2.94Å; A1847-Q1849 VanDerWaalsContact C-N 3.33Å; A1847-Q1849 PolarHBondContact O-N 3.44Å; A1847-A1850 PolarHBondContact O-N 2.87Å; A1847-V1851 WeakPolarHBondContact O-CG2 3.24Å; A1847-V1851 PolarHBondContact O-N 3.23Å |
| 1848 | V | 89.2 | Confident | 83.4 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 178.4 | 174.3 | 0 | 0 | 0 | 0 | 111 | L1844 V1851 I1852 L1873 M1881 H1884 | L1844-V1848 HydrophobicContact CD1-CG2 3.67Å; L1844-V1848 HydrophobicContact CG-CG2 4.37Å; L1844-V1848 WeakPolarHBondContact O-CB 3.34Å; L1844-V1848 WeakPolarHBondContact O-CG2 3.43Å; L1844-V1848 PolarHBondContact O-N 3.49Å; V1848-V1851 PolarHBondContact O-N 3.38Å; V1848-I1852 HydrophobicContact CG1-CD1 3.73Å; V1848-I1852 HydrophobicContact CG1-CG1 4.45Å; V1848-I1852 WeakPolarHBondContact O-CB 3.33Å; V1848-I1852 WeakPolarHBondContact O-CD1 3.47Å; V1848-I1852 VanDerWaalsContact O-CG1 3.23Å; V1848-I1852 WeakPolarHBondContact O-CG1 3.4Å; V1848-I1852 PolarHBondContact O-N 3.35Å; V1848-L1873 HydrophobicContact CG2-CD1 4.49Å; V1848-M1881 HydrophobicContact CG1-SD 4.26Å; V1848-M1881 HydrophobicContact CG2-CE 3.76Å; V1848-M1881 HydrophobicContact CG2-SD 3.54Å; V1848-M1881 VanDerWaalsContact CG2-SD 3.54Å; V1848-H1884 HydrophobicContact CG1-CB 3.76Å |
| 1849 | Q | 89.9 | Confident | 84.9 | Confident | 104 Ų | 104 | 52.9 Ų | 52.9 | 49% | 0.486 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 175.6 | -175.1 | 54.1 | 86.1 | 0 | 0 | 112.3 | S1845 Q1846 A1847 I1852 T1853 | S1845-Q1849 WeakPolarHBondContact O-CB 3.35Å; S1845-Q1849 PolarHBondContact O-N 3.36Å; Q1846-Q1849 PolarHBondContact O-N 2.85Å; A1847-Q1849 VanDerWaalsContact C-N 3.33Å; A1847-Q1849 PolarHBondContact O-N 3.44Å; Q1849-I1852 PolarHBondContact O-N 2.97Å; Q1849-T1853 PolarHBondContact O-N 3.17Å; Q1849-T1853 PolarHBondContact O-OG1 2.69Å |
| 1850 | A | 90.3 | Very high | 85.6 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1783 Q1846 A1847 I1852 T1853 E1854 | I1783-A1850 HydrophobicContact CG2-CB 3.79Å; Q1846-A1850 WeakPolarHBondContact O-CB 3.48Å; Q1846-A1850 PolarHBondContact O-N 3.09Å; A1847-A1850 PolarHBondContact O-N 2.87Å; A1850-I1852 VanDerWaalsContact C-N 3.32Å; A1850-I1852 PolarHBondContact O-N 2.94Å; A1850-T1853 WeakPolarHBondContact CA-OG1 3.35Å; A1850-T1853 PolarHBondContact O-N 2.96Å; A1850-T1853 PolarHBondContact O-OG1 2.81Å; A1850-E1854 PolarHBondContact O-N 2.95Å; A1850-E1854 VanDerWaalsContact O-N 3.09Å |
| 1851 | V | 93.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 173.2 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | L1795 L1798 A1847 V1848 T1853 E1854 C1855 A1866 T1869 M1870 L1873 | L1795-V1851 HydrophobicContact CD2-CB 4.48Å; L1795-V1851 HydrophobicContact CD2-CG2 3.76Å; L1798-V1851 HydrophobicContact CD2-CG2 3.58Å; A1847-V1851 WeakPolarHBondContact O-CG2 3.24Å; A1847-V1851 PolarHBondContact O-N 3.23Å; V1848-V1851 PolarHBondContact O-N 3.38Å; V1851-T1853 PolarHBondContact O-N 2.84Å; V1851-E1854 PolarHBondContact O-N 2.93Å; V1851-C1855 PolarHBondContact O-N 2.94Å; V1851-C1855 PolarHBondContact O-SG 3.18Å; V1851-A1866 HydrophobicContact CG1-CB 4.38Å; V1851-A1866 VanDerWaalsContact CG1-O 3.26Å; V1851-A1866 WeakPolarHBondContact CG1-O 3.29Å; V1851-T1869 HydrophobicContact CG2-CG2 4.11Å; V1851-M1870 HydrophobicContact CG1-CB 4.05Å; V1851-M1870 HydrophobicContact CG1-CE 4.13Å; V1851-L1873 HydrophobicContact CB-CD1 4.31Å; V1851-L1873 HydrophobicContact CG1-CD1 4.36Å; V1851-L1873 HydrophobicContact CG2-CD1 3.88Å |
| 1852 | I | 90.9 | Very high | 87 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 175.5 | -78.6 | 165.6 | 0 | 0 | 0 | 112.6 | V1848 Q1849 A1850 M1870 V1887 V1891 | V1848-I1852 HydrophobicContact CG1-CD1 3.73Å; V1848-I1852 HydrophobicContact CG1-CG1 4.45Å; V1848-I1852 WeakPolarHBondContact O-CB 3.33Å; V1848-I1852 WeakPolarHBondContact O-CD1 3.47Å; V1848-I1852 VanDerWaalsContact O-CG1 3.23Å; V1848-I1852 WeakPolarHBondContact O-CG1 3.4Å; V1848-I1852 PolarHBondContact O-N 3.35Å; Q1849-I1852 PolarHBondContact O-N 2.97Å; A1850-I1852 VanDerWaalsContact C-N 3.32Å; A1850-I1852 PolarHBondContact O-N 2.94Å; I1852-M1870 HydrophobicContact CG1-CE 3.66Å; I1852-V1887 HydrophobicContact CD1-CB 4.08Å; I1852-V1887 HydrophobicContact CD1-CG1 3.81Å; I1852-V1891 HydrophobicContact CG2-CG2 3.91Å |
| 1853 | T | 89.9 | Confident | 87.4 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 44% | 0.436 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.4 | -41.3 | 174.2 | 36.5 | 0 | 0 | 0 | 0 | 111.6 | Q1849 A1850 V1851 R1856 N1857 | Q1849-T1853 PolarHBondContact O-N 3.17Å; Q1849-T1853 PolarHBondContact O-OG1 2.69Å; A1850-T1853 WeakPolarHBondContact CA-OG1 3.35Å; A1850-T1853 PolarHBondContact O-N 2.96Å; A1850-T1853 PolarHBondContact O-OG1 2.81Å; V1851-T1853 PolarHBondContact O-N 2.84Å; T1853-R1856 WeakPolarHBondContact O-CA 3.38Å; T1853-R1856 WeakPolarHBondContact O-CB 3.24Å; T1853-R1856 PolarHBondContact O-N 3.28Å; T1853-N1857 PolarHBondContact O-N 3.41Å |
| 1854 | E | 91.3 | Very high | 87.8 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.9 | -26.4 | -179.9 | -64 | -46.8 | 132.2 | 0 | 0 | 114.1 | I1783 K1791 L1795 A1850 V1851 R1856 N1857 V1862 S1863 A1866 | I1783-E1854 HydrophobicContact CG2-CG 4.11Å; K1791-E1854 HydrophobicContact CD-CG 4.2Å; K1791-E1854 WeakPolarHBondContact CD-OE2 3.28Å; K1791-E1854 VanDerWaalsContact NZ-CD 3.31Å; K1791-E1854 IonicContact NZ-OE1 3.3Å; K1791-E1854 PolarHBondContact NZ-OE1 2.71Å; K1791-E1854 IonicContact NZ-OE2 2.77Å; L1795-E1854 HydrophobicContact CD1-CB 4.23Å; A1850-E1854 PolarHBondContact O-N 2.95Å; A1850-E1854 VanDerWaalsContact O-N 3.09Å; V1851-E1854 PolarHBondContact O-N 2.93Å; E1854-R1856 PolarHBondContact O-N 2.83Å; E1854-R1856 VanDerWaalsContact O-N 3.15Å; E1854-N1857 WeakPolarHBondContact O-CB 3.28Å; E1854-N1857 PolarHBondContact O-N 2.93Å; E1854-N1857 PolarHBondContact OE2-ND2 3Å; E1854-V1862 HydrophobicContact CB-CG1 4.16Å; E1854-V1862 HydrophobicContact CG-CG1 4.38Å; E1854-V1862 WeakPolarHBondContact OE2-CG1 3.37Å; E1854-S1863 WeakPolarHBondContact O-CA 3.4Å; E1854-A1866 VanDerWaalsContact C-CB 3.49Å; E1854-A1866 HydrophobicContact CB-CB 3.73Å |
| 1855 | C | 86.4 | Confident | 88.1 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.1 | -29 | 165.7 | -75.8 | 0 | 0 | 0 | 0 | 112.1 | V1851 A1866 V1867 V1891 K1895 | V1851-C1855 PolarHBondContact O-N 2.94Å; V1851-C1855 PolarHBondContact O-SG 3.18Å; C1855-A1866 HydrophobicContact CB-CB 4.45Å; C1855-A1866 VanDerWaalsContact SG-C 3.56Å; C1855-V1867 HydrophobicContact CB-CG2 4.45Å; C1855-V1891 HydrophobicContact CB-CG1 3.66Å; C1855-K1895 WeakPolarHBondContact O-CD 3.15Å; C1855-K1895 VanDerWaalsContact O-CE 3.26Å; C1855-K1895 WeakPolarHBondContact O-CE 3.33Å; C1855-K1895 PolarHBondContact O-NZ 2.89Å |
| 1856 | R | 85.4 | Confident | 88.5 | Confident | 136 Ų | 136 | 48.3 Ų | 48.3 | 51% | 0.513 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 4.3 | 176.9 | -68.3 | 179.3 | 168.7 | 170.6 | -1.5 | 113.9 | T1853 E1854 | T1853-R1856 WeakPolarHBondContact O-CA 3.38Å; T1853-R1856 WeakPolarHBondContact O-CB 3.24Å; T1853-R1856 PolarHBondContact O-N 3.28Å; E1854-R1856 PolarHBondContact O-N 2.83Å; E1854-R1856 VanDerWaalsContact O-N 3.15Å |
| 1857 | N | 86.8 | Confident | 88.7 | Confident | 43 Ų | 43 | 44.1 Ų | 44.1 | 23% | 0.23 | 21% | 0.213 | C | C | . | . | trans | -61 | 142 | 175.2 | -163.7 | -39.4 | 0 | 0 | 0 | 110.7 | T1853 E1854 R1859 V1862 K1895 | T1853-N1857 PolarHBondContact O-N 3.41Å; E1854-N1857 WeakPolarHBondContact O-CB 3.28Å; E1854-N1857 PolarHBondContact O-N 2.93Å; E1854-N1857 PolarHBondContact OE2-ND2 3Å; N1857-R1859 WeakPolarHBondContact OD1-CB 3.36Å; N1857-R1859 PolarHBondContact OD1-N 3.05Å; N1857-V1862 HydrophobicContact CB-CB 4.33Å; N1857-V1862 HydrophobicContact CB-CG1 4.35Å; N1857-K1895 PolarHBondContact O-NZ 3.39Å | ||
| 1858 | L | 84.1 | Confident | 88.9 | Confident | 174 Ų | 174 | 47.9 Ų | 47.9 | 91% | 0.911 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -76.8 | -22.9 | 177.7 | -60.2 | 178.5 | 0 | 0 | 0 | 112.3 | S1860 | L1858-S1860 PolarHBondContact O-N 3.18Š|
| 1859 | R | 85.4 | Confident | 89.1 | Confident | 103 Ų | 103 | 47.7 Ų | 47.7 | 39% | 0.389 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -77.6 | 113.4 | 173.6 | -170.4 | 170.9 | -174.2 | 140.7 | 2 | 109.4 | W1788 N1857 Q1861 V1862 S1863 | W1788-R1859 VanDerWaalsContact CG-NH1 3.32Å; N1857-R1859 WeakPolarHBondContact OD1-CB 3.36Å; N1857-R1859 PolarHBondContact OD1-N 3.05Å; R1859-Q1861 VanDerWaalsContact C-N 3.3Å; R1859-Q1861 VanDerWaalsContact NH2-OE1 3.13Å; R1859-Q1861 PolarHBondContact O-N 3.24Å; R1859-V1862 HydrophobicContact CB-CG2 4.23Å; R1859-V1862 HydrophobicContact CG-CG2 4.29Å; R1859-V1862 PolarHBondContact O-N 2.74Å; R1859-S1863 PolarHBondContact O-N 3.4Å; R1859-S1863 VanDerWaalsContact O-N 3.17Å |
| 1860 | S | 82.5 | Confident | 89.1 | Confident | 59 Ų | 59 | 43 Ų | 43 | 41% | 0.413 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59 | -38.3 | -169.3 | 74.1 | 0 | 0 | 0 | 0 | 113.3 | L1858 S1863 R1864 | L1858-S1860 PolarHBondContact O-N 3.18Å; S1860-S1863 PolarHBondContact O-N 2.82Å; S1860-S1863 PolarHBondContact O-OG 3.09Å; S1860-R1864 VanDerWaalsContact CB-NH1 3.33Å; S1860-R1864 WeakPolarHBondContact O-CG 3.28Å; S1860-R1864 PolarHBondContact O-N 2.9Å; S1860-R1864 PolarHBondContact O-NH1 3.29Å; S1860-R1864 PolarHBondContact OG-NH1 3.11Å |
| 1861 | Q | 87.1 | Confident | 89.2 | Confident | 78 Ų | 78 | 42.8 Ų | 42.8 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -54.3 | -56.8 | 175.4 | -69.5 | 163.1 | -52.9 | 0 | 0 | 112.3 | W1788 R1859 S1863 R1864 Q1865 | W1788-Q1861 HydrophobicContact CZ3-CB 4.29Å; R1859-Q1861 VanDerWaalsContact C-N 3.3Å; R1859-Q1861 VanDerWaalsContact NH2-OE1 3.13Å; R1859-Q1861 PolarHBondContact O-N 3.24Å; Q1861-S1863 VanDerWaalsContact C-N 3.3Å; Q1861-S1863 PolarHBondContact O-N 3.16Å; Q1861-R1864 WeakPolarHBondContact O-CB 3.06Å; Q1861-R1864 PolarHBondContact O-N 3.28Å; Q1861-R1864 VanDerWaalsContact O-N 3.13Å; Q1861-Q1865 PolarHBondContact O-N 2.84Å |
| 1862 | V | 91.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | -179.2 | -172 | 0 | 0 | 0 | 0 | 110.5 | W1788 K1791 V1792 L1795 E1854 N1857 R1859 R1864 Q1865 A1866 | W1788-V1862 HydrophobicContact CB-CG2 3.98Å; W1788-V1862 HydrophobicContact CE3-CG2 4.36Å; K1791-V1862 HydrophobicContact CB-CG1 4.06Å; K1791-V1862 HydrophobicContact CD-CG1 4.38Å; V1792-V1862 HydrophobicContact CG2-CG2 4.21Å; L1795-V1862 HydrophobicContact CD1-CG1 4.16Å; E1854-V1862 HydrophobicContact CB-CG1 4.16Å; E1854-V1862 HydrophobicContact CG-CG1 4.38Å; E1854-V1862 WeakPolarHBondContact OE2-CG1 3.37Å; N1857-V1862 HydrophobicContact CB-CB 4.33Å; N1857-V1862 HydrophobicContact CB-CG1 4.35Å; R1859-V1862 HydrophobicContact CB-CG2 4.23Å; R1859-V1862 HydrophobicContact CG-CG2 4.29Å; R1859-V1862 PolarHBondContact O-N 2.74Å; V1862-R1864 VanDerWaalsContact C-N 3.33Å; V1862-R1864 PolarHBondContact O-N 2.98Å; V1862-Q1865 PolarHBondContact O-N 3.45Å; V1862-A1866 WeakPolarHBondContact O-CB 3.45Å; V1862-A1866 PolarHBondContact O-N 3.06Å |
| 1863 | S | 88.5 | Confident | 89 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.7 | -27.3 | 178.5 | 73.9 | 0 | 0 | 0 | 0 | 114.3 | E1854 R1859 S1860 Q1861 V1867 | E1854-S1863 WeakPolarHBondContact O-CA 3.4Å; R1859-S1863 PolarHBondContact O-N 3.4Å; R1859-S1863 VanDerWaalsContact O-N 3.17Å; S1860-S1863 PolarHBondContact O-N 2.82Å; S1860-S1863 PolarHBondContact O-OG 3.09Å; Q1861-S1863 VanDerWaalsContact C-N 3.3Å; Q1861-S1863 PolarHBondContact O-N 3.16Å; S1863-V1867 WeakPolarHBondContact O-CB 3.45Å; S1863-V1867 VanDerWaalsContact O-CG2 3.28Å; S1863-V1867 WeakPolarHBondContact O-CG2 3.28Å; S1863-V1867 PolarHBondContact O-N 3.3Å; S1863-V1867 VanDerWaalsContact O-N 3.17Å |
| 1864 | R | 88.6 | Confident | 89 | Confident | 79 Ų | 79 | 40.7 Ų | 40.7 | 30% | 0.298 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -69 | -50.6 | 169.8 | -76.9 | -167.2 | -63.8 | -78.2 | 4.7 | 110.6 | S1860 Q1861 V1862 A1866 V1867 Q1868 L1904 E1907 | S1860-R1864 VanDerWaalsContact CB-NH1 3.33Å; S1860-R1864 WeakPolarHBondContact O-CG 3.28Å; S1860-R1864 PolarHBondContact O-N 2.9Å; S1860-R1864 PolarHBondContact O-NH1 3.29Å; S1860-R1864 PolarHBondContact OG-NH1 3.11Å; Q1861-R1864 WeakPolarHBondContact O-CB 3.06Å; Q1861-R1864 PolarHBondContact O-N 3.28Å; Q1861-R1864 VanDerWaalsContact O-N 3.13Å; V1862-R1864 VanDerWaalsContact C-N 3.33Å; V1862-R1864 PolarHBondContact O-N 2.98Å; R1864-A1866 VanDerWaalsContact C-N 3.26Å; R1864-A1866 PolarHBondContact O-N 3.43Å; R1864-V1867 PolarHBondContact O-N 3.1Å; R1864-V1867 VanDerWaalsContact O-N 3.12Å; R1864-Q1868 WeakPolarHBondContact O-CG 3.4Å; R1864-Q1868 PolarHBondContact O-N 3.16Å; R1864-L1904 HydrophobicContact CG-CD2 3.47Å; R1864-L1904 VanDerWaalsContact CG-CD2 3.47Å; R1864-E1907 WeakPolarHBondContact CD-OE1 3.24Å; R1864-E1907 WeakPolarHBondContact CD-OE2 3.27Å; R1864-E1907 WeakPolarHBondContact CG-OE2 3.42Å |
| 1865 | Q | 91.9 | Very high | 88.8 | Confident | 38 Ų | 38 | 44.3 Ų | 44.3 | 18% | 0.178 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 179.7 | -167.8 | 61 | 29.7 | 0 | 0 | 111.5 | V1792 L1795 Q1861 V1862 Q1868 T1869 | V1792-Q1865 HydrophobicContact CG1-CG 4.19Å; V1792-Q1865 HydrophobicContact CG2-CB 4.42Å; L1795-Q1865 HydrophobicContact CB-CG 3.69Å; L1795-Q1865 HydrophobicContact CD1-CB 4.14Å; L1795-Q1865 HydrophobicContact CD1-CG 4.21Å; Q1861-Q1865 PolarHBondContact O-N 2.84Å; V1862-Q1865 PolarHBondContact O-N 3.45Å; Q1865-Q1868 PolarHBondContact O-N 2.68Å; Q1865-T1869 WeakPolarHBondContact O-CB 3.49Å; Q1865-T1869 PolarHBondContact O-N 2.9Å; Q1865-T1869 PolarHBondContact O-OG1 3.41Å |
| 1866 | A | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1795 V1851 E1854 C1855 V1862 R1864 M1870 | L1795-A1866 HydrophobicContact CD1-CB 3.9Å; L1795-A1866 HydrophobicContact CD2-CB 4.3Å; V1851-A1866 HydrophobicContact CG1-CB 4.38Å; V1851-A1866 VanDerWaalsContact CG1-O 3.26Å; V1851-A1866 WeakPolarHBondContact CG1-O 3.29Å; E1854-A1866 VanDerWaalsContact C-CB 3.49Å; E1854-A1866 HydrophobicContact CB-CB 3.73Å; C1855-A1866 HydrophobicContact CB-CB 4.45Å; C1855-A1866 VanDerWaalsContact SG-C 3.56Å; V1862-A1866 WeakPolarHBondContact O-CB 3.45Å; V1862-A1866 PolarHBondContact O-N 3.06Å; R1864-A1866 VanDerWaalsContact C-N 3.26Å; R1864-A1866 PolarHBondContact O-N 3.43Å; A1866-M1870 WeakPolarHBondContact O-CB 3.26Å; A1866-M1870 PolarHBondContact O-N 3.38Å |
| 1867 | V | 90 | Very high | 88.7 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.1 | -41.5 | 174.7 | 162.6 | 0 | 0 | 0 | 0 | 111.7 | C1855 S1863 R1864 M1870 G1871 L1892 V1908 I1911 | C1855-V1867 HydrophobicContact CB-CG2 4.45Å; S1863-V1867 WeakPolarHBondContact O-CB 3.45Å; S1863-V1867 VanDerWaalsContact O-CG2 3.28Å; S1863-V1867 WeakPolarHBondContact O-CG2 3.28Å; S1863-V1867 PolarHBondContact O-N 3.3Å; S1863-V1867 VanDerWaalsContact O-N 3.17Å; R1864-V1867 PolarHBondContact O-N 3.1Å; R1864-V1867 VanDerWaalsContact O-N 3.12Å; V1867-M1870 WeakPolarHBondContact O-CB 3.23Å; V1867-M1870 PolarHBondContact O-N 2.79Å; V1867-G1871 PolarHBondContact O-N 2.77Å; V1867-L1892 HydrophobicContact CG1-CD2 4.18Å; V1867-L1892 HydrophobicContact CG2-CD2 4.1Å; V1867-V1908 HydrophobicContact CG1-CG2 3.87Å; V1867-V1908 HydrophobicContact CG2-CG2 4.5Å; V1867-I1911 HydrophobicContact CG1-CB 4.39Å; V1867-I1911 HydrophobicContact CG1-CG1 3.94Å |
| 1868 | Q | 91.3 | Very high | 88.7 | Confident | 80 Ų | 80 | 41 Ų | 41 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.9 | -44.8 | 176.1 | -67 | -178.8 | 15.5 | 0 | 0 | 111.5 | R1864 Q1865 M1870 G1871 S1872 E1907 | R1864-Q1868 WeakPolarHBondContact O-CG 3.4Å; R1864-Q1868 PolarHBondContact O-N 3.16Å; Q1865-Q1868 PolarHBondContact O-N 2.68Å; Q1868-M1870 VanDerWaalsContact C-N 3.27Å; Q1868-M1870 PolarHBondContact O-N 3.14Å; Q1868-G1871 WeakPolarHBondContact O-CA 3.35Å; Q1868-G1871 PolarHBondContact O-N 2.88Å; Q1868-S1872 PolarHBondContact O-N 3.16Å; Q1868-S1872 PolarHBondContact O-OG 2.87Å; Q1868-E1907 PolarHBondContact NE2-OE1 3.37Å |
| 1869 | T | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -34.4 | 174.5 | -59 | 0 | 0 | 0 | 0 | 112 | L1795 L1798 A1799 V1851 Q1865 G1871 S1872 L1873 | L1795-T1869 HydrophobicContact CD2-CG2 4.29Å; L1795-T1869 VanDerWaalsContact O-CG2 3.29Å; L1795-T1869 WeakPolarHBondContact O-CG2 3.43Å; L1795-T1869 PolarHBondContact O-OG1 3.31Å; L1795-T1869 VanDerWaalsContact O-OG1 3.13Å; L1798-T1869 HydrophobicContact CB-CG2 4.4Å; L1798-T1869 HydrophobicContact CD2-CG2 4.17Å; L1798-T1869 HydrophobicContact CG-CG2 4.3Å; A1799-T1869 HydrophobicContact CB-CG2 4.17Å; V1851-T1869 HydrophobicContact CG2-CG2 4.11Å; Q1865-T1869 WeakPolarHBondContact O-CB 3.49Å; Q1865-T1869 PolarHBondContact O-N 2.9Å; Q1865-T1869 PolarHBondContact O-OG1 3.41Å; T1869-G1871 VanDerWaalsContact C-N 3.33Å; T1869-G1871 PolarHBondContact O-N 3.27Å; T1869-S1872 PolarHBondContact O-N 3.12Å; T1869-L1873 HydrophobicContact CG2-CD1 4.47Å; T1869-L1873 WeakPolarHBondContact O-CB 3.34Å; T1869-L1873 WeakPolarHBondContact O-CG 3.27Å; T1869-L1873 PolarHBondContact O-N 2.75Å |
| 1870 | M | 91.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.02 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 171.4 | -172.5 | 173.1 | -73.3 | 0 | 0 | 111.7 | V1851 I1852 A1866 V1867 Q1868 L1873 F1874 C1888 L1892 | V1851-M1870 HydrophobicContact CG1-CB 4.05Å; V1851-M1870 HydrophobicContact CG1-CE 4.13Å; I1852-M1870 HydrophobicContact CG1-CE 3.66Å; A1866-M1870 WeakPolarHBondContact O-CB 3.26Å; A1866-M1870 PolarHBondContact O-N 3.38Å; V1867-M1870 WeakPolarHBondContact O-CB 3.23Å; V1867-M1870 PolarHBondContact O-N 2.79Å; Q1868-M1870 VanDerWaalsContact C-N 3.27Å; Q1868-M1870 PolarHBondContact O-N 3.14Å; M1870-L1873 WeakPolarHBondContact O-CB 3.42Å; M1870-L1873 PolarHBondContact O-N 3.36Å; M1870-F1874 HydrophobicContact CG-CD2 4.29Å; M1870-F1874 HydrophobicContact CG-CE2 4.19Å; M1870-F1874 VanDerWaalsContact O-CD2 3.31Å; M1870-F1874 WeakPolarHBondContact O-CD2 3.23Å; M1870-F1874 PolarHBondContact O-N 2.84Å; M1870-F1874 VanDerWaalsContact O-N 3.15Å; M1870-C1888 HydrophobicContact CE-CB 4.38Å; M1870-C1888 HydrophobicContact SD-CB 3.76Å; M1870-L1892 HydrophobicContact SD-CD1 3.93Å; M1870-L1892 HydrophobicContact SD-CD2 4.12Å; M1870-L1892 HydrophobicContact SD-CG 3.93Å |
| 1871 | G | 91.3 | Very high | 88.6 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -49 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V1867 Q1868 T1869 L1873 F1874 Q1875 | V1867-G1871 PolarHBondContact O-N 2.77Å; Q1868-G1871 WeakPolarHBondContact O-CA 3.35Å; Q1868-G1871 PolarHBondContact O-N 2.88Å; T1869-G1871 VanDerWaalsContact C-N 3.33Å; T1869-G1871 PolarHBondContact O-N 3.27Å; G1871-L1873 VanDerWaalsContact C-N 3.27Å; G1871-L1873 PolarHBondContact O-N 2.85Å; G1871-F1874 PolarHBondContact O-N 3.43Å; G1871-F1874 VanDerWaalsContact O-N 3.09Å; G1871-Q1875 PolarHBondContact O-N 3.27Å |
| 1872 | S | 91.4 | Very high | 88.6 | Confident | 30 Ų | 30 | 29.7 Ų | 29.7 | 21% | 0.21 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59 | -37.7 | 176.3 | -53.3 | 0 | 0 | 0 | 0 | 112.6 | Q1868 T1869 Q1875 G1876 | Q1868-S1872 PolarHBondContact O-N 3.16Å; Q1868-S1872 PolarHBondContact O-OG 2.87Å; T1869-S1872 PolarHBondContact O-N 3.12Å; S1872-Q1875 PolarHBondContact O-N 3.03Å; S1872-G1876 PolarHBondContact O-N 2.91Å |
| 1873 | L | 89.5 | Confident | 88.3 | Confident | 5 Ų | 5 | 34.2 Ų | 34.2 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 173.5 | -81.7 | 169 | 0 | 0 | 0 | 112.1 | L1798 V1802 V1848 V1851 T1869 M1870 G1871 L1877 M1881 | L1798-L1873 HydrophobicContact CD2-CD1 4.44Å; V1802-L1873 HydrophobicContact CG1-CD2 4.34Å; V1802-L1873 HydrophobicContact CG2-CD2 4.01Å; V1848-L1873 HydrophobicContact CG2-CD1 4.49Å; V1851-L1873 HydrophobicContact CB-CD1 4.31Å; V1851-L1873 HydrophobicContact CG1-CD1 4.36Å; V1851-L1873 HydrophobicContact CG2-CD1 3.88Å; T1869-L1873 HydrophobicContact CG2-CD1 4.47Å; T1869-L1873 WeakPolarHBondContact O-CB 3.34Å; T1869-L1873 WeakPolarHBondContact O-CG 3.27Å; T1869-L1873 PolarHBondContact O-N 2.75Å; M1870-L1873 WeakPolarHBondContact O-CB 3.42Å; M1870-L1873 PolarHBondContact O-N 3.36Å; G1871-L1873 VanDerWaalsContact C-N 3.27Å; G1871-L1873 PolarHBondContact O-N 2.85Å; L1873-L1877 HydrophobicContact CD2-CD1 3.72Å; L1873-L1877 VanDerWaalsContact O-CB 3.24Å; L1873-L1877 WeakPolarHBondContact O-CB 3.32Å; L1873-L1877 PolarHBondContact O-N 2.99Å; L1873-M1881 HydrophobicContact CB-CE 3.92Å; L1873-M1881 HydrophobicContact CD2-CE 4.29Å |
| 1874 | F | 89 | Confident | 88.3 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.7 | -44.2 | 173.9 | -85.9 | -79.3 | 0 | 0 | 0 | 112.3 | M1870 G1871 G1876 N1878 M1881 V1885 C1888 V1915 H1918 A1919 | M1870-F1874 HydrophobicContact CG-CD2 4.29Å; M1870-F1874 HydrophobicContact CG-CE2 4.19Å; M1870-F1874 VanDerWaalsContact O-CD2 3.31Å; M1870-F1874 WeakPolarHBondContact O-CD2 3.23Å; M1870-F1874 PolarHBondContact O-N 2.84Å; M1870-F1874 VanDerWaalsContact O-N 3.15Å; G1871-F1874 PolarHBondContact O-N 3.43Å; G1871-F1874 VanDerWaalsContact O-N 3.09Å; F1874-G1876 PolarHBondContact O-N 3.15Å; F1874-N1878 WeakPolarHBondContact O-CA 3.47Å; F1874-N1878 PolarHBondContact O-N 2.8Å; F1874-M1881 HydrophobicContact CD1-CB 3.81Å; F1874-M1881 HydrophobicContact CD1-CG 3.63Å; F1874-M1881 HydrophobicContact CD2-CG 4.12Å; F1874-M1881 HydrophobicContact CE1-CB 3.64Å; F1874-M1881 HydrophobicContact CE1-CG 3.22Å; F1874-M1881 HydrophobicContact CE2-CG 3.77Å; F1874-M1881 HydrophobicContact CG-CG 4.06Å; F1874-M1881 HydrophobicContact CZ-CB 4.24Å; F1874-M1881 HydrophobicContact CZ-CG 3.3Å; F1874-V1885 HydrophobicContact CE1-CG2 3.75Å; F1874-V1885 HydrophobicContact CZ-CG2 4.1Å; F1874-C1888 HydrophobicContact CE2-CB 3.84Å; F1874-C1888 HydrophobicContact CZ-CB 3.99Å; F1874-V1915 HydrophobicContact CD1-CG1 4.38Å; F1874-V1915 HydrophobicContact CD2-CG2 3.62Å; F1874-V1915 HydrophobicContact CE1-CG1 4.12Å; F1874-V1915 HydrophobicContact CE2-CG1 4.35Å; F1874-V1915 HydrophobicContact CE2-CG2 3.84Å; F1874-V1915 HydrophobicContact CG-CG2 4.02Å; F1874-V1915 HydrophobicContact CZ-CG1 4.1Å; F1874-V1915 HydrophobicContact CZ-CG2 4.41Å; F1874-H1918 HydrophobicContact CB-CB 4.41Å; F1874-H1918 WeakPolarHBondContact O-CB 3.39Å; F1874-A1919 HydrophobicContact CD1-CB 4.06Å; F1874-A1919 HydrophobicContact CE1-CB 3.83Å |
| 1875 | Q | 87.7 | Confident | 88.4 | Confident | 90 Ų | 90 | 31.8 Ų | 31.8 | 42% | 0.421 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.6 | -42.8 | -178.4 | -172.4 | -177.7 | 78.6 | 0 | 0 | 112.6 | G1871 S1872 N1878 E1914 | G1871-Q1875 PolarHBondContact O-N 3.27Å; S1872-Q1875 PolarHBondContact O-N 3.03Å; Q1875-N1878 PolarHBondContact O-ND2 2.84Å; Q1875-E1914 HydrophobicContact CB-CG 4.5Å; Q1875-E1914 PolarHBondContact NE2-OE1 3.45Å |
| 1876 | G | 83.8 | Confident | 88.2 | Confident | 31 Ų | 31 | 32.6 Ų | 32.6 | 32% | 0.32 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -78.2 | -53 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1872 F1874 N1878 | S1872-G1876 PolarHBondContact O-N 2.91Å; F1874-G1876 PolarHBondContact O-N 3.15Å; G1876-N1878 PolarHBondContact O-ND2 2.94Å |
| 1877 | L | 84.9 | Confident | 88.1 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -83.3 | -17.1 | -170.9 | -61.8 | 167.7 | 0 | 0 | 0 | 114 | V1802 V1807 L1839 L1844 L1873 R1879 A1880 M1881 | V1802-L1877 HydrophobicContact CG1-CD1 4.18Å; V1802-L1877 HydrophobicContact CG1-CD2 4.35Å; V1802-L1877 HydrophobicContact CG1-CG 3.75Å; V1807-L1877 HydrophobicContact CB-CD2 3.85Å; V1807-L1877 HydrophobicContact CG1-CD2 3.67Å; V1807-L1877 HydrophobicContact CG2-CD2 4.07Å; L1839-L1877 HydrophobicContact CD2-CD1 4.26Å; L1839-L1877 HydrophobicContact CD2-CD2 3.85Å; L1844-L1877 HydrophobicContact CD1-CD1 3.51Å; L1873-L1877 HydrophobicContact CD2-CD1 3.72Å; L1873-L1877 VanDerWaalsContact O-CB 3.24Å; L1873-L1877 WeakPolarHBondContact O-CB 3.32Å; L1873-L1877 PolarHBondContact O-N 2.99Å; L1877-R1879 PolarHBondContact O-N 2.7Å; L1877-A1880 HydrophobicContact CB-CB 4.22Å; L1877-A1880 WeakPolarHBondContact O-CB 3.37Å; L1877-A1880 PolarHBondContact O-N 3.22Å; L1877-M1881 HydrophobicContact CB-CE 4.15Å; L1877-M1881 HydrophobicContact CD1-CE 3.42Å; L1877-M1881 VanDerWaalsContact CD1-CE 3.42Å; L1877-M1881 HydrophobicContact CG-CE 4.4Å |
| 1878 | N | 87.5 | Confident | 88.1 | Confident | 64 Ų | 64 | 34.6 Ų | 34.6 | 34% | 0.342 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | 50.1 | -124.3 | 176.1 | -67.8 | -99.9 | 0 | 0 | 0 | 111.3 | F1874 Q1875 G1876 A1880 M1881 H1918 | F1874-N1878 WeakPolarHBondContact O-CA 3.47Å; F1874-N1878 PolarHBondContact O-N 2.8Å; Q1875-N1878 PolarHBondContact O-ND2 2.84Å; G1876-N1878 PolarHBondContact O-ND2 2.94Å; N1878-A1880 PolarHBondContact O-N 3.07Å; N1878-A1880 VanDerWaalsContact O-N 3.16Å; N1878-M1881 WeakPolarHBondContact O-CB 3.48Å; N1878-M1881 PolarHBondContact O-N 3.18Å; N1878-H1918 CarbonylContact C-O 3.54Å; N1878-H1918 PolarHBondContact OD1-ND1 2.75Å |
| 1879 | R | 82.7 | Confident | 88.1 | Confident | 117 Ų | 117 | 30.8 Ų | 30.8 | 44% | 0.442 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -63.8 | -16.7 | -179.9 | -63.9 | -169.2 | -173.4 | -175 | 5.6 | 114.7 | L1877 M1881 D1882 S1990 | L1877-R1879 PolarHBondContact O-N 2.7Å; R1879-M1881 PolarHBondContact O-N 2.73Å; R1879-D1882 VanDerWaalsContact O-CB 3.25Å; R1879-D1882 WeakPolarHBondContact O-CB 3.29Å; R1879-D1882 PolarHBondContact O-N 3.1Å; R1879-S1990 PolarHBondContact NH1-O 3.33Å |
| 1880 | A | 82.3 | Confident | 88 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 19% | 0.19 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -65.3 | -17.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1809 L1877 N1878 P1883 | L1809-A1880 HydrophobicContact CB-CB 4.33Å; L1809-A1880 HydrophobicContact CD2-CB 4.01Å; L1877-A1880 HydrophobicContact CB-CB 4.22Å; L1877-A1880 WeakPolarHBondContact O-CB 3.37Å; L1877-A1880 PolarHBondContact O-N 3.22Å; N1878-A1880 PolarHBondContact O-N 3.07Å; N1878-A1880 VanDerWaalsContact O-N 3.16Å; A1880-P1883 WeakPolarHBondContact O-CD 3.33Å |
| 1881 | M | 85.5 | Confident | 87.9 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -82.8 | -9.9 | 173 | -159.2 | 56.7 | 56.3 | 0 | 0 | 114 | L1844 V1848 L1873 F1874 L1877 N1878 R1879 P1883 H1884 V1885 | L1844-M1881 HydrophobicContact CD1-CE 3.89Å; V1848-M1881 HydrophobicContact CG1-SD 4.26Å; V1848-M1881 HydrophobicContact CG2-CE 3.76Å; V1848-M1881 HydrophobicContact CG2-SD 3.54Å; V1848-M1881 VanDerWaalsContact CG2-SD 3.54Å; L1873-M1881 HydrophobicContact CB-CE 3.92Å; L1873-M1881 HydrophobicContact CD2-CE 4.29Å; F1874-M1881 HydrophobicContact CD1-CB 3.81Å; F1874-M1881 HydrophobicContact CD1-CG 3.63Å; F1874-M1881 HydrophobicContact CD2-CG 4.12Å; F1874-M1881 HydrophobicContact CE1-CB 3.64Å; F1874-M1881 HydrophobicContact CE1-CG 3.22Å; F1874-M1881 HydrophobicContact CE2-CG 3.77Å; F1874-M1881 HydrophobicContact CG-CG 4.06Å; F1874-M1881 HydrophobicContact CZ-CB 4.24Å; F1874-M1881 HydrophobicContact CZ-CG 3.3Å; L1877-M1881 HydrophobicContact CB-CE 4.15Å; L1877-M1881 HydrophobicContact CD1-CE 3.42Å; L1877-M1881 VanDerWaalsContact CD1-CE 3.42Å; L1877-M1881 HydrophobicContact CG-CE 4.4Å; N1878-M1881 WeakPolarHBondContact O-CB 3.48Å; N1878-M1881 PolarHBondContact O-N 3.18Å; R1879-M1881 PolarHBondContact O-N 2.73Å; M1881-P1883 VanDerWaalsContact C-N 3.31Å; M1881-P1883 VanDerWaalsContact O-N 3.12Å; M1881-H1884 PolarHBondContact O-N 3.13Å; M1881-H1884 HydrophobicContact SD-CB 3.97Å; M1881-V1885 PolarHBondContact O-N 3.1Å |
| 1882 | D | 86.5 | Confident | 87.8 | Confident | 36 Ų | 36 | 35.4 Ų | 35.4 | 19% | 0.193 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -35.9 | -177.7 | -82.3 | -16.6 | 0 | 0 | 0 | 115.3 | R1879 H1884 S1920 | R1879-D1882 VanDerWaalsContact O-CB 3.25Å; R1879-D1882 WeakPolarHBondContact O-CB 3.29Å; R1879-D1882 PolarHBondContact O-N 3.1Å; D1882-H1884 VanDerWaalsContact C-N 3.25Å; D1882-H1884 PolarHBondContact O-N 3.41Å; D1882-S1920 VanDerWaalsContact CG-CB 3.48Å; D1882-S1920 WeakPolarHBondContact OD1-CB 3.49Å; D1882-S1920 PolarHBondContact OD1-N 3.06Å; D1882-S1920 VanDerWaalsContact OD2-CB 3.27Å; D1882-S1920 WeakPolarHBondContact OD2-CB 3.44Å |
| 1883 | P | 86 | Confident | 87.6 | Confident | 96 Ų | 96 | 34.1 Ų | 34.1 | 62% | 0.623 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.8 | 174.7 | -24.4 | 36 | 0 | 0 | 0 | 114.3 | A1880 M1881 | A1880-P1883 WeakPolarHBondContact O-CD 3.33Å; M1881-P1883 VanDerWaalsContact C-N 3.31Å; M1881-P1883 VanDerWaalsContact O-N 3.12Å |
| 1884 | H | 88.8 | Confident | 87.4 | Confident | 28 Ų | 28 | 35.7 Ų | 35.7 | 13% | 0.13 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -9.5 | -173.1 | -54.2 | -71.1 | 0 | 0 | 0 | 114 | S1845 V1848 M1881 D1882 D1886 V1887 C1888 | S1845-H1884 PolarHBondContact OG-CE1 3.4Å; V1848-H1884 HydrophobicContact CG1-CB 3.76Å; M1881-H1884 PolarHBondContact O-N 3.13Å; M1881-H1884 HydrophobicContact SD-CB 3.97Å; D1882-H1884 VanDerWaalsContact C-N 3.25Å; D1882-H1884 PolarHBondContact O-N 3.41Å; H1884-D1886 VanDerWaalsContact C-N 3.29Å; H1884-D1886 PolarHBondContact O-N 2.81Å; H1884-D1886 VanDerWaalsContact O-N 3.17Å; H1884-V1887 PolarHBondContact O-N 3.01Å; H1884-C1888 PolarHBondContact O-N 3.12Å; H1884-C1888 PolarHBondContact O-SG 2.78Å |
| 1885 | V | 89.7 | Confident | 87.1 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -44.4 | -48.1 | -178.7 | 164.8 | 0 | 0 | 0 | 0 | 113.4 | F1874 M1881 V1887 C1888 I1889 A1919 R1923 | F1874-V1885 HydrophobicContact CE1-CG2 3.75Å; F1874-V1885 HydrophobicContact CZ-CG2 4.1Å; M1881-V1885 PolarHBondContact O-N 3.1Å; V1885-V1887 VanDerWaalsContact C-N 3.35Å; V1885-V1887 PolarHBondContact O-N 3.04Å; V1885-C1888 PolarHBondContact O-N 3.35Å; V1885-I1889 HydrophobicContact CG1-CD1 3.58Å; V1885-I1889 WeakPolarHBondContact O-CB 3.37Å; V1885-I1889 WeakPolarHBondContact O-CG1 3.43Å; V1885-I1889 PolarHBondContact O-N 3.26Å; V1885-A1919 HydrophobicContact CG2-CB 3.77Å; V1885-R1923 HydrophobicContact CG1-CB 4.16Å |
| 1886 | D | 88.5 | Confident | 86.8 | Confident | 54 Ų | 54 | 32.5 Ų | 32.5 | 29% | 0.289 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63 | -39.7 | -178.4 | -179.6 | 90.3 | 0 | 0 | 0 | 112.9 | H1884 R1890 A1927 H1931 | H1884-D1886 VanDerWaalsContact C-N 3.29Å; H1884-D1886 PolarHBondContact O-N 2.81Å; H1884-D1886 VanDerWaalsContact O-N 3.17Å; D1886-R1890 WeakPolarHBondContact O-CB 3.05Å; D1886-R1890 PolarHBondContact O-N 2.99Å; D1886-R1890 VanDerWaalsContact O-N 3.11Å; D1886-R1890 IonicContact OD2-CZ 3.11Å; D1886-R1890 IonicContact OD2-NE 2.72Å; D1886-R1890 IonicContact OD2-NH2 3.2Å; D1886-R1890 PolarHBondContact OD2-NH2 3.43Å; D1886-A1927 HydrophobicContact CB-CB 4.27Å; D1886-H1931 IonicContact OD1-CD2 2.74Å; D1886-H1931 IonicContact OD1-CE1 4Å; D1886-H1931 IonicContact OD1-NE2 2.68Å; D1886-H1931 PolarHBondContact OD1-NE2 3.47Å; D1886-H1931 IonicContact OD2-CE1 2.87Å; D1886-H1931 IonicContact OD2-NE2 3.82Å; D1886-H1931 PolarHBondContact OD2-NE2 3.24Å; D1886-H1931 VanDerWaalsContact OD2-NE2 3.12Å |
| 1887 | V | 90.1 | Very high | 86.6 | Confident | 45 Ų | 45 | 32 Ų | 32 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -73.4 | -42.2 | -179.8 | -160.6 | 0 | 0 | 0 | 0 | 110.2 | I1852 H1884 V1885 R1890 V1891 | I1852-V1887 HydrophobicContact CD1-CB 4.08Å; I1852-V1887 HydrophobicContact CD1-CG1 3.81Å; H1884-V1887 PolarHBondContact O-N 3.01Å; V1885-V1887 VanDerWaalsContact C-N 3.35Å; V1885-V1887 PolarHBondContact O-N 3.04Å; V1887-R1890 PolarHBondContact O-N 3.33Å; V1887-V1891 WeakPolarHBondContact O-CG2 3.48Å; V1887-V1891 PolarHBondContact O-N 2.86Å |
| 1888 | C | 90.5 | Very high | 86 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.6 | -50.8 | 178 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | M1870 F1874 H1884 V1885 R1890 V1891 L1892 | M1870-C1888 HydrophobicContact CE-CB 4.38Å; M1870-C1888 HydrophobicContact SD-CB 3.76Å; F1874-C1888 HydrophobicContact CE2-CB 3.84Å; F1874-C1888 HydrophobicContact CZ-CB 3.99Å; H1884-C1888 PolarHBondContact O-N 3.12Å; H1884-C1888 PolarHBondContact O-SG 2.78Å; V1885-C1888 PolarHBondContact O-N 3.35Å; C1888-R1890 PolarHBondContact O-N 3.4Å; C1888-V1891 PolarHBondContact O-N 2.93Å; C1888-V1891 VanDerWaalsContact O-N 3.11Å; C1888-L1892 WeakPolarHBondContact O-CG 3.44Å; C1888-L1892 PolarHBondContact O-N 3.28Å |
| 1889 | I | 90.3 | Very high | 84.8 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 178.8 | -71.3 | 168.6 | 0 | 0 | 0 | 111 | V1885 V1891 L1892 L1893 V1915 T1924 A1927 L1928 | V1885-I1889 HydrophobicContact CG1-CD1 3.58Å; V1885-I1889 WeakPolarHBondContact O-CB 3.37Å; V1885-I1889 WeakPolarHBondContact O-CG1 3.43Å; V1885-I1889 PolarHBondContact O-N 3.26Å; I1889-V1891 VanDerWaalsContact C-N 3.28Å; I1889-V1891 PolarHBondContact O-N 2.76Å; I1889-L1892 PolarHBondContact O-N 3.08Å; I1889-L1893 HydrophobicContact CG2-CD1 3.75Å; I1889-L1893 HydrophobicContact CG2-CG 4.17Å; I1889-L1893 WeakPolarHBondContact O-CB 3.37Å; I1889-L1893 VanDerWaalsContact O-CG 3.26Å; I1889-L1893 WeakPolarHBondContact O-CG 3.42Å; I1889-L1893 PolarHBondContact O-N 3.38Å; I1889-V1915 HydrophobicContact CD1-CG1 4.34Å; I1889-V1915 HydrophobicContact CG1-CG1 4.23Å; I1889-T1924 HydrophobicContact CD1-CG2 3.76Å; I1889-A1927 HydrophobicContact CB-CB 4.17Å; I1889-A1927 HydrophobicContact CD1-CB 3.87Å; I1889-A1927 HydrophobicContact CG2-CB 4.12Å; I1889-L1928 HydrophobicContact CG2-CD2 3.83Å; I1889-L1928 HydrophobicContact CG2-CG 4.13Å |
| 1890 | R | 91.4 | Very high | 83.4 | Confident | 101 Ų | 101 | 33.5 Ų | 33.5 | 38% | 0.381 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.9 | -37.4 | 174.5 | 174.2 | 166.3 | 23.7 | 134.5 | -4.5 | 112.8 | D1886 V1887 C1888 S1894 H1931 | D1886-R1890 WeakPolarHBondContact O-CB 3.05Å; D1886-R1890 PolarHBondContact O-N 2.99Å; D1886-R1890 VanDerWaalsContact O-N 3.11Å; D1886-R1890 IonicContact OD2-CZ 3.11Å; D1886-R1890 IonicContact OD2-NE 2.72Å; D1886-R1890 IonicContact OD2-NH2 3.2Å; D1886-R1890 PolarHBondContact OD2-NH2 3.43Å; V1887-R1890 PolarHBondContact O-N 3.33Å; C1888-R1890 PolarHBondContact O-N 3.4Å; R1890-S1894 WeakPolarHBondContact O-CB 3.15Å; R1890-S1894 PolarHBondContact O-N 3.13Å; R1890-S1894 VanDerWaalsContact O-N 3.12Å; R1890-H1931 HydrophobicContact CB-CB 4.42Å; R1890-H1931 VanDerWaalsContact CD-CE1 3.47Å; R1890-H1931 WeakPolarHBondContact CD-CE1 3.48Å; R1890-H1931 WeakPolarHBondContact CD-ND1 3.33Å; R1890-H1931 PolarHBondContact NE-CE1 3.2Å; R1890-H1931 VanDerWaalsContact NE-CE1 3.33Å |
| 1891 | V | 88.9 | Confident | 82.1 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.5 | -44.2 | 177 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | I1852 C1855 V1887 C1888 I1889 S1894 K1895 | I1852-V1891 HydrophobicContact CG2-CG2 3.91Å; C1855-V1891 HydrophobicContact CB-CG1 3.66Å; V1887-V1891 WeakPolarHBondContact O-CG2 3.48Å; V1887-V1891 PolarHBondContact O-N 2.86Å; C1888-V1891 PolarHBondContact O-N 2.93Å; C1888-V1891 VanDerWaalsContact O-N 3.11Å; I1889-V1891 VanDerWaalsContact C-N 3.28Å; I1889-V1891 PolarHBondContact O-N 2.76Å; V1891-S1894 WeakPolarHBondContact O-CB 3.17Å; V1891-S1894 PolarHBondContact O-N 3.2Å; V1891-K1895 PolarHBondContact O-N 3.01Å |
| 1892 | L | 88.7 | Confident | 81.1 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.7 | -38.1 | 178.1 | -66.8 | 170.3 | 0 | 0 | 0 | 112.3 | V1867 M1870 C1888 I1889 K1895 T1896 V1908 I1911 M1912 V1915 | V1867-L1892 HydrophobicContact CG1-CD2 4.18Å; V1867-L1892 HydrophobicContact CG2-CD2 4.1Å; M1870-L1892 HydrophobicContact SD-CD1 3.93Å; M1870-L1892 HydrophobicContact SD-CD2 4.12Å; M1870-L1892 HydrophobicContact SD-CG 3.93Å; C1888-L1892 WeakPolarHBondContact O-CG 3.44Å; C1888-L1892 PolarHBondContact O-N 3.28Å; I1889-L1892 PolarHBondContact O-N 3.08Å; L1892-K1895 PolarHBondContact O-N 2.97Å; L1892-T1896 WeakPolarHBondContact O-CB 3.41Å; L1892-T1896 PolarHBondContact O-N 3.26Å; L1892-T1896 PolarHBondContact O-OG1 2.99Å; L1892-V1908 HydrophobicContact CB-CG1 4.31Å; L1892-V1908 HydrophobicContact CD2-CG1 4.38Å; L1892-I1911 HydrophobicContact CD1-CG2 4.33Å; L1892-I1911 HydrophobicContact CD2-CG2 4.5Å; L1892-M1912 HydrophobicContact CB-CE 3.46Å; L1892-M1912 VanDerWaalsContact CB-CE 3.46Å; L1892-M1912 HydrophobicContact CB-SD 3.86Å; L1892-M1912 HydrophobicContact CD1-SD 3.85Å; L1892-V1915 HydrophobicContact CD1-CG2 4.14Å |
| 1893 | L | 87.5 | Confident | 80.2 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.4 | -39.2 | 171.5 | -70.6 | 173.3 | 0 | 0 | 0 | 111.8 | I1889 T1896 G1897 M1912 L1928 H1931 V1940 | I1889-L1893 HydrophobicContact CG2-CD1 3.75Å; I1889-L1893 HydrophobicContact CG2-CG 4.17Å; I1889-L1893 WeakPolarHBondContact O-CB 3.37Å; I1889-L1893 VanDerWaalsContact O-CG 3.26Å; I1889-L1893 WeakPolarHBondContact O-CG 3.42Å; I1889-L1893 PolarHBondContact O-N 3.38Å; L1893-T1896 WeakPolarHBondContact O-CB 3.38Å; L1893-T1896 PolarHBondContact O-N 2.95Å; L1893-G1897 PolarHBondContact O-N 2.86Å; L1893-G1897 VanDerWaalsContact O-N 3.09Å; L1893-M1912 HydrophobicContact CD2-CE 3.68Å; L1893-M1912 HydrophobicContact CG-CE 3.76Å; L1893-L1928 HydrophobicContact CD1-CD2 4.38Å; L1893-L1928 HydrophobicContact CD2-CD2 4.4Å; L1893-H1931 HydrophobicContact CD1-CB 3.88Å; L1893-V1940 HydrophobicContact CB-CG1 3.9Å; L1893-V1940 HydrophobicContact CD2-CG1 3.79Å; L1893-V1940 HydrophobicContact CG-CG1 4.34Å; L1893-V1940 WeakPolarHBondContact O-CG2 3.49Å |
| 1894 | S | 84.6 | Confident | 79.6 | Confident | 37 Ų | 37 | 39.6 Ų | 39.6 | 26% | 0.259 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.3 | -49 | 172.5 | -160.8 | 0 | 0 | 0 | 0 | 110.7 | R1890 V1891 T1896 G1897 E1898 | R1890-S1894 WeakPolarHBondContact O-CB 3.15Å; R1890-S1894 PolarHBondContact O-N 3.13Å; R1890-S1894 VanDerWaalsContact O-N 3.12Å; V1891-S1894 WeakPolarHBondContact O-CB 3.17Å; V1891-S1894 PolarHBondContact O-N 3.2Å; S1894-T1896 VanDerWaalsContact C-N 3.33Å; S1894-T1896 PolarHBondContact O-N 3.01Å; S1894-G1897 CarbonylContact O-C 3.53Å; S1894-G1897 VanDerWaalsContact O-CA 3.31Å; S1894-G1897 WeakPolarHBondContact O-CA 3.41Å; S1894-G1897 PolarHBondContact O-N 3.28Å; S1894-E1898 WeakPolarHBondContact CB-OE1 3.16Å; S1894-E1898 VanDerWaalsContact O-CG 3.32Å; S1894-E1898 WeakPolarHBondContact O-CG 3.32Å; S1894-E1898 PolarHBondContact O-N 3.21Å; S1894-E1898 PolarHBondContact OG-OE1 3.39Å |
| 1895 | K | 83.3 | Confident | 79.1 | Confident | 19 Ų | 19 | 41.6 Ų | 41.6 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -38.3 | 178.7 | -155.3 | 70.7 | 172.8 | -168.7 | 0 | 112.6 | C1855 N1857 V1891 L1892 G1897 E1898 A1899 | C1855-K1895 WeakPolarHBondContact O-CD 3.15Å; C1855-K1895 VanDerWaalsContact O-CE 3.26Å; C1855-K1895 WeakPolarHBondContact O-CE 3.33Å; C1855-K1895 PolarHBondContact O-NZ 2.89Å; N1857-K1895 PolarHBondContact O-NZ 3.39Å; V1891-K1895 PolarHBondContact O-N 3.01Å; L1892-K1895 PolarHBondContact O-N 2.97Å; K1895-G1897 PolarHBondContact O-N 3.4Å; K1895-E1898 PolarHBondContact O-N 3.48Å; K1895-A1899 VanDerWaalsContact O-CB 3.27Å; K1895-A1899 WeakPolarHBondContact O-CB 3.22Å; K1895-A1899 PolarHBondContact O-N 3Å |
| 1896 | T | 81.9 | Confident | 78.7 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.8 | -32.1 | 170.5 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | L1892 L1893 S1894 V1908 V1940 Q1943 | L1892-T1896 WeakPolarHBondContact O-CB 3.41Å; L1892-T1896 PolarHBondContact O-N 3.26Å; L1892-T1896 PolarHBondContact O-OG1 2.99Å; L1893-T1896 WeakPolarHBondContact O-CB 3.38Å; L1893-T1896 PolarHBondContact O-N 2.95Å; S1894-T1896 VanDerWaalsContact C-N 3.33Å; S1894-T1896 PolarHBondContact O-N 3.01Å; T1896-V1908 WeakPolarHBondContact OG1-CG1 3.35Å; T1896-V1940 HydrophobicContact CG2-CG2 4.11Å; T1896-Q1943 HydrophobicContact CG2-CB 4.42Å; T1896-Q1943 HydrophobicContact CG2-CG 4.05Å |
| 1897 | G | 79.1 | Confident | 78.4 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -85.1 | -29.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | L1893 S1894 K1895 N1937 V1940 | L1893-G1897 PolarHBondContact O-N 2.86Å; L1893-G1897 VanDerWaalsContact O-N 3.09Å; S1894-G1897 CarbonylContact O-C 3.53Å; S1894-G1897 VanDerWaalsContact O-CA 3.31Å; S1894-G1897 WeakPolarHBondContact O-CA 3.41Å; S1894-G1897 PolarHBondContact O-N 3.28Å; K1895-G1897 PolarHBondContact O-N 3.4Å; G1897-N1937 WeakPolarHBondContact CA-ND2 3.28Å; G1897-N1937 PolarHBondContact O-ND2 3Å; G1897-V1940 VanDerWaalsContact CA-CG2 3.41Å |
| 1898 | E | 72.8 | Confident | 78.1 | Confident | 97 Ų | 97 | 43.6 Ų | 43.6 | 45% | 0.453 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -81.1 | -24.8 | 177.3 | -69.8 | 157.9 | -141.4 | 0 | 0 | 113 | S1894 K1895 A1900 | S1894-E1898 WeakPolarHBondContact CB-OE1 3.16Å; S1894-E1898 VanDerWaalsContact O-CG 3.32Å; S1894-E1898 WeakPolarHBondContact O-CG 3.32Å; S1894-E1898 PolarHBondContact O-N 3.21Å; S1894-E1898 PolarHBondContact OG-OE1 3.39Å; K1895-E1898 PolarHBondContact O-N 3.48Å; E1898-A1900 PolarHBondContact O-N 2.67Å |
| 1899 | A | 60.9 | Low | 77.9 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | trans | -67.5 | 86.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1895 A1901 L1904 R1905 | K1895-A1899 VanDerWaalsContact O-CB 3.27Å; K1895-A1899 WeakPolarHBondContact O-CB 3.22Å; K1895-A1899 PolarHBondContact O-N 3Å; A1899-A1901 PolarHBondContact O-N 2.69Å; A1899-L1904 HydrophobicContact CB-CB 3.95Å; A1899-L1904 HydrophobicContact CB-CD1 4.43Å; A1899-R1905 HydrophobicContact CB-CG 3.85Å | ||
| 1900 | A | 53.5 | Low | 77.7 | Confident | 111 Ų | 111 | 49.9 Ų | 49.9 | 92% | 0.917 | 29% | 0.286 | S | S | * | . | trans | -63.5 | -20.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1898 | E1898-A1900 PolarHBondContact O-N 2.67Š| ||
| 1901 | A | 55.9 | Low | 77.5 | Confident | 42 Ų | 42 | 46 Ų | 46 | 35% | 0.347 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -95.3 | 122.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1899 F1903 L1904 | A1899-A1901 PolarHBondContact O-N 2.69Å; A1901-F1903 VanDerWaalsContact C-N 3.26Å; A1901-F1903 HydrophobicContact CB-CD2 4.28Å; A1901-F1903 PolarHBondContact O-N 3.24Å; A1901-L1904 PolarHBondContact O-N 2.98Å |
| 1902 | A | 63.4 | Low | 77.3 | Confident | 56 Ų | 56 | 46.1 Ų | 46.1 | 46% | 0.463 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -54.6 | -41.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1904 R1905 | A1902-L1904 VanDerWaalsContact C-N 3.27Å; A1902-L1904 PolarHBondContact O-N 2.95Å; A1902-L1904 VanDerWaalsContact O-N 3.14Å; A1902-R1905 WeakPolarHBondContact O-CB 3.39Å; A1902-R1905 PolarHBondContact O-N 3.07Å |
| 1903 | F | 68.6 | Low | 77.1 | Confident | 162 Ų | 162 | 49.2 Ų | 49.2 | 71% | 0.711 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -50 | -40.2 | -177.6 | -45.6 | -70.2 | 0 | 0 | 0 | 114.2 | A1901 R1905 D1906 E1907 | A1901-F1903 VanDerWaalsContact C-N 3.26Å; A1901-F1903 HydrophobicContact CB-CD2 4.28Å; A1901-F1903 PolarHBondContact O-N 3.24Å; F1903-R1905 VanDerWaalsContact C-N 3.32Å; F1903-R1905 PolarHBondContact O-N 3.43Å; F1903-D1906 PolarHBondContact O-N 3.2Å; F1903-E1907 PolarHBondContact O-N 2.74Å |
| 1904 | L | 72.2 | Confident | 76.9 | Confident | 25 Ų | 25 | 51 Ų | 51 | 13% | 0.131 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.5 | -29.8 | 179.1 | -76.1 | 175.2 | 0 | 0 | 0 | 112.8 | R1864 A1899 A1901 A1902 D1906 V1908 | R1864-L1904 HydrophobicContact CG-CD2 3.47Å; R1864-L1904 VanDerWaalsContact CG-CD2 3.47Å; A1899-L1904 HydrophobicContact CB-CB 3.95Å; A1899-L1904 HydrophobicContact CB-CD1 4.43Å; A1901-L1904 PolarHBondContact O-N 2.98Å; A1902-L1904 VanDerWaalsContact C-N 3.27Å; A1902-L1904 PolarHBondContact O-N 2.95Å; A1902-L1904 VanDerWaalsContact O-N 3.14Å; L1904-D1906 VanDerWaalsContact C-N 3.34Å; L1904-V1908 WeakPolarHBondContact O-CB 3.46Å; L1904-V1908 WeakPolarHBondContact O-CG2 3.38Å; L1904-V1908 PolarHBondContact O-N 3.02Å |
| 1905 | R | 78.9 | Confident | 77 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.9 | -35.5 | -179.6 | -62.7 | 172.9 | 57.6 | -92.2 | 2.3 | 111.3 | A1899 A1902 F1903 S1909 | A1899-R1905 HydrophobicContact CB-CG 3.85Å; A1902-R1905 WeakPolarHBondContact O-CB 3.39Å; A1902-R1905 PolarHBondContact O-N 3.07Å; F1903-R1905 VanDerWaalsContact C-N 3.32Å; F1903-R1905 PolarHBondContact O-N 3.43Å; R1905-S1909 WeakPolarHBondContact O-CB 3.42Å; R1905-S1909 PolarHBondContact O-N 2.93Å |
| 1906 | D | 81.1 | Confident | 77 | Confident | 89 Ų | 89 | 49.4 Ų | 49.4 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.5 | -45.1 | -178.1 | -56.6 | -21.4 | 0 | 0 | 0 | 109.4 | F1903 L1904 S1909 V1910 | F1903-D1906 PolarHBondContact O-N 3.2Å; L1904-D1906 VanDerWaalsContact C-N 3.34Å; D1906-S1909 PolarHBondContact O-N 2.83Å; D1906-S1909 PolarHBondContact O-OG 2.62Å; D1906-V1910 PolarHBondContact O-N 2.69Å |
| 1907 | E | 82.5 | Confident | 77.1 | Confident | 51 Ų | 51 | 55.3 Ų | 55.3 | 24% | 0.238 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.5 | -51.4 | 170 | -67.7 | -178.1 | 120.5 | 0 | 0 | 112.3 | R1864 Q1868 F1903 S1909 V1910 I1911 | R1864-E1907 WeakPolarHBondContact CD-OE1 3.24Å; R1864-E1907 WeakPolarHBondContact CD-OE2 3.27Å; R1864-E1907 WeakPolarHBondContact CG-OE2 3.42Å; Q1868-E1907 PolarHBondContact NE2-OE1 3.37Å; F1903-E1907 PolarHBondContact O-N 2.74Å; E1907-S1909 PolarHBondContact O-N 2.72Å; E1907-V1910 PolarHBondContact O-N 2.77Å; E1907-V1910 VanDerWaalsContact O-N 3.16Å; E1907-I1911 WeakPolarHBondContact O-CG1 3.27Å; E1907-I1911 PolarHBondContact O-N 2.7Å; E1907-I1911 VanDerWaalsContact O-N 3.1Å |
| 1908 | V | 84.7 | Confident | 77.4 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61 | -32.7 | 179 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | V1867 L1892 T1896 L1904 I1911 M1912 | V1867-V1908 HydrophobicContact CG1-CG2 3.87Å; V1867-V1908 HydrophobicContact CG2-CG2 4.5Å; L1892-V1908 HydrophobicContact CB-CG1 4.31Å; L1892-V1908 HydrophobicContact CD2-CG1 4.38Å; T1896-V1908 WeakPolarHBondContact OG1-CG1 3.35Å; L1904-V1908 WeakPolarHBondContact O-CB 3.46Å; L1904-V1908 WeakPolarHBondContact O-CG2 3.38Å; L1904-V1908 PolarHBondContact O-N 3.02Å; V1908-I1911 PolarHBondContact O-N 3.1Å; V1908-M1912 HydrophobicContact CG1-CG 4.12Å; V1908-M1912 WeakPolarHBondContact O-CB 3.4Å; V1908-M1912 VanDerWaalsContact O-CG 3.22Å; V1908-M1912 WeakPolarHBondContact O-CG 3.23Å; V1908-M1912 PolarHBondContact O-N 2.88Å |
| 1909 | S | 84.8 | Confident | 78 | Confident | 37 Ų | 37 | 52.3 Ų | 52.3 | 26% | 0.259 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 176.5 | 75.9 | 0 | 0 | 0 | 0 | 112.9 | R1905 D1906 E1907 M1912 D1913 | R1905-S1909 WeakPolarHBondContact O-CB 3.42Å; R1905-S1909 PolarHBondContact O-N 2.93Å; D1906-S1909 PolarHBondContact O-N 2.83Å; D1906-S1909 PolarHBondContact O-OG 2.62Å; E1907-S1909 PolarHBondContact O-N 2.72Å; S1909-M1912 PolarHBondContact O-N 2.93Å; S1909-D1913 PolarHBondContact O-N 3.14Å; S1909-D1913 VanDerWaalsContact O-N 3.12Å |
| 1910 | V | 87.2 | Confident | 79 | Confident | 96 Ų | 96 | 52.8 Ų | 52.8 | 58% | 0.582 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.6 | -42.8 | 175.4 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | D1906 E1907 M1912 D1913 E1914 | D1906-V1910 PolarHBondContact O-N 2.69Å; E1907-V1910 PolarHBondContact O-N 2.77Å; E1907-V1910 VanDerWaalsContact O-N 3.16Å; V1910-M1912 PolarHBondContact O-N 3.3Å; V1910-D1913 PolarHBondContact O-N 3.13Å; V1910-E1914 PolarHBondContact O-N 3.06Å; V1910-E1914 VanDerWaalsContact O-N 3.11Å |
| 1911 | I | 86.2 | Confident | 80.3 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.4 | -37 | 177.7 | -59.4 | -63.1 | 0 | 0 | 0 | 111.4 | V1867 L1892 E1907 V1908 E1914 V1915 | V1867-I1911 HydrophobicContact CG1-CB 4.39Å; V1867-I1911 HydrophobicContact CG1-CG1 3.94Å; L1892-I1911 HydrophobicContact CD1-CG2 4.33Å; L1892-I1911 HydrophobicContact CD2-CG2 4.5Å; E1907-I1911 WeakPolarHBondContact O-CG1 3.27Å; E1907-I1911 PolarHBondContact O-N 2.7Å; E1907-I1911 VanDerWaalsContact O-N 3.1Å; V1908-I1911 PolarHBondContact O-N 3.1Å; I1911-E1914 PolarHBondContact O-N 2.97Å; I1911-V1915 VanDerWaalsContact O-CG2 3.3Å; I1911-V1915 WeakPolarHBondContact O-CG2 3.26Å; I1911-V1915 PolarHBondContact O-N 3.09Å |
| 1912 | M | 85.9 | Confident | 81.5 | Confident | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 174.8 | -76.3 | -70.1 | -145.4 | 0 | 0 | 112.8 | L1892 L1893 V1908 S1909 V1910 E1914 V1915 I1916 L1947 | L1892-M1912 HydrophobicContact CB-CE 3.46Å; L1892-M1912 VanDerWaalsContact CB-CE 3.46Å; L1892-M1912 HydrophobicContact CB-SD 3.86Å; L1892-M1912 HydrophobicContact CD1-SD 3.85Å; L1893-M1912 HydrophobicContact CD2-CE 3.68Å; L1893-M1912 HydrophobicContact CG-CE 3.76Å; V1908-M1912 HydrophobicContact CG1-CG 4.12Å; V1908-M1912 WeakPolarHBondContact O-CB 3.4Å; V1908-M1912 VanDerWaalsContact O-CG 3.22Å; V1908-M1912 WeakPolarHBondContact O-CG 3.23Å; V1908-M1912 PolarHBondContact O-N 2.88Å; S1909-M1912 PolarHBondContact O-N 2.93Å; V1910-M1912 PolarHBondContact O-N 3.3Å; M1912-E1914 VanDerWaalsContact C-N 3.29Å; M1912-E1914 PolarHBondContact O-N 3.29Å; M1912-V1915 PolarHBondContact O-N 3.47Å; M1912-I1916 WeakPolarHBondContact O-CG1 3.4Å; M1912-I1916 PolarHBondContact O-N 2.71Å; M1912-I1916 VanDerWaalsContact O-N 3.09Å; M1912-L1947 HydrophobicContact CB-CD1 3.89Å; M1912-L1947 HydrophobicContact CB-CD2 3.94Å; M1912-L1947 HydrophobicContact CE-CD1 4.28Å; M1912-L1947 HydrophobicContact CG-CD1 4.03Å; M1912-L1947 HydrophobicContact SD-CD1 4.16Å |
| 1913 | D | 84.8 | Confident | 82.5 | Confident | 66 Ų | 66 | 53.6 Ų | 53.6 | 35% | 0.353 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.6 | -33.4 | 173 | -99.8 | -12.5 | 0 | 0 | 0 | 111.5 | S1909 V1910 I1916 Q1917 | S1909-D1913 PolarHBondContact O-N 3.14Å; S1909-D1913 VanDerWaalsContact O-N 3.12Å; V1910-D1913 PolarHBondContact O-N 3.13Å; D1913-I1916 PolarHBondContact O-N 3.21Å; D1913-Q1917 WeakPolarHBondContact O-CG 3.31Å; D1913-Q1917 PolarHBondContact O-N 2.98Å; D1913-Q1917 PolarHBondContact O-NE2 2.94Å |
| 1914 | E | 83.7 | Confident | 83.4 | Confident | 42 Ų | 42 | 46 Ų | 46 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.4 | -43.8 | 174.7 | -154.4 | 72.8 | 163.3 | 0 | 0 | 112.2 | Q1875 V1910 I1911 M1912 I1916 Q1917 H1918 | Q1875-E1914 HydrophobicContact CB-CG 4.5Å; Q1875-E1914 PolarHBondContact NE2-OE1 3.45Å; V1910-E1914 PolarHBondContact O-N 3.06Å; V1910-E1914 VanDerWaalsContact O-N 3.11Å; I1911-E1914 PolarHBondContact O-N 2.97Å; M1912-E1914 VanDerWaalsContact C-N 3.29Å; M1912-E1914 PolarHBondContact O-N 3.29Å; E1914-I1916 PolarHBondContact O-N 3.41Å; E1914-Q1917 PolarHBondContact O-N 2.94Å; E1914-Q1917 VanDerWaalsContact O-N 3.08Å; E1914-Q1917 PolarHBondContact OE2-NE2 3.43Å; E1914-H1918 PolarHBondContact O-CD2 3.06Å; E1914-H1918 PolarHBondContact O-N 3.35Å; E1914-H1918 IonicContact OE1-NE2 3.72Å |
| 1915 | V | 85.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.3 | -42.9 | 171.5 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | F1874 I1889 L1892 I1911 M1912 Q1917 H1918 A1919 | F1874-V1915 HydrophobicContact CD1-CG1 4.38Å; F1874-V1915 HydrophobicContact CD2-CG2 3.62Å; F1874-V1915 HydrophobicContact CE1-CG1 4.12Å; F1874-V1915 HydrophobicContact CE2-CG1 4.35Å; F1874-V1915 HydrophobicContact CE2-CG2 3.84Å; F1874-V1915 HydrophobicContact CG-CG2 4.02Å; F1874-V1915 HydrophobicContact CZ-CG1 4.1Å; F1874-V1915 HydrophobicContact CZ-CG2 4.41Å; I1889-V1915 HydrophobicContact CD1-CG1 4.34Å; I1889-V1915 HydrophobicContact CG1-CG1 4.23Å; L1892-V1915 HydrophobicContact CD1-CG2 4.14Å; I1911-V1915 VanDerWaalsContact O-CG2 3.3Å; I1911-V1915 WeakPolarHBondContact O-CG2 3.26Å; I1911-V1915 PolarHBondContact O-N 3.09Å; M1912-V1915 PolarHBondContact O-N 3.47Å; V1915-Q1917 VanDerWaalsContact C-N 3.35Å; V1915-Q1917 PolarHBondContact O-N 3.15Å; V1915-H1918 PolarHBondContact O-N 3.3Å; V1915-A1919 HydrophobicContact CG1-CB 4.42Å; V1915-A1919 WeakPolarHBondContact O-CB 3.5Å; V1915-A1919 PolarHBondContact O-N 3.46Å |
| 1916 | I | 83 | Confident | 84.4 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 10% | 0.103 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.5 | -31 | 179.9 | -75.4 | 172.3 | 0 | 0 | 0 | 113.5 | M1912 D1913 E1914 T1924 L1947 I1951 | M1912-I1916 WeakPolarHBondContact O-CG1 3.4Å; M1912-I1916 PolarHBondContact O-N 2.71Å; M1912-I1916 VanDerWaalsContact O-N 3.09Å; D1913-I1916 PolarHBondContact O-N 3.21Å; E1914-I1916 PolarHBondContact O-N 3.41Å; I1916-T1924 HydrophobicContact CG1-CG2 3.9Å; I1916-L1947 HydrophobicContact CD1-CB 3.75Å; I1916-L1947 HydrophobicContact CD1-CD2 3.38Å; I1916-L1947 HydrophobicContact CD1-CG 4.04Å; I1916-I1951 HydrophobicContact CD1-CD1 3.99Å; I1916-I1951 HydrophobicContact CD1-CG1 4.03Å; I1916-I1951 HydrophobicContact CG1-CD1 4Å; I1916-I1951 HydrophobicContact CG1-CG1 4.07Å; I1916-I1951 HydrophobicContact CG2-CG1 3.76Å |
| 1917 | Q | 84 | Confident | 84.7 | Confident | 130 Ų | 130 | 41.4 Ų | 41.4 | 61% | 0.607 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -76.5 | -32.5 | 178.8 | -73.2 | 167.8 | 103.4 | 0 | 0 | 112.4 | D1913 E1914 V1915 | D1913-Q1917 WeakPolarHBondContact O-CG 3.31Å; D1913-Q1917 PolarHBondContact O-N 2.98Å; D1913-Q1917 PolarHBondContact O-NE2 2.94Å; E1914-Q1917 PolarHBondContact O-N 2.94Å; E1914-Q1917 VanDerWaalsContact O-N 3.08Å; E1914-Q1917 PolarHBondContact OE2-NE2 3.43Å; V1915-Q1917 VanDerWaalsContact C-N 3.35Å; V1915-Q1917 PolarHBondContact O-N 3.15Å |
| 1918 | H | 84.6 | Confident | 85.1 | Confident | 46 Ų | 46 | 39 Ų | 39 | 21% | 0.213 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -107.5 | -21.7 | -169.6 | -70.1 | -82.4 | 0 | 0 | 0 | 115.5 | F1874 N1878 E1914 V1915 | F1874-H1918 HydrophobicContact CB-CB 4.41Å; F1874-H1918 WeakPolarHBondContact O-CB 3.39Å; N1878-H1918 CarbonylContact C-O 3.54Å; N1878-H1918 PolarHBondContact OD1-ND1 2.75Å; E1914-H1918 PolarHBondContact O-CD2 3.06Å; E1914-H1918 PolarHBondContact O-N 3.35Å; E1914-H1918 IonicContact OE1-NE2 3.72Å; V1915-H1918 PolarHBondContact O-N 3.3Å |
| 1919 | A | 86.2 | Confident | 85.2 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 7% | 0.066 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -90.3 | 162.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1874 V1885 V1915 P1921 T1924 | F1874-A1919 HydrophobicContact CD1-CB 4.06Å; F1874-A1919 HydrophobicContact CE1-CB 3.83Å; V1885-A1919 HydrophobicContact CG2-CB 3.77Å; V1915-A1919 HydrophobicContact CG1-CB 4.42Å; V1915-A1919 WeakPolarHBondContact O-CB 3.5Å; V1915-A1919 PolarHBondContact O-N 3.46Å; A1919-P1921 WeakPolarHBondContact O-CD 3.44Å; A1919-T1924 WeakPolarHBondContact CB-OG1 3.44Å |
| 1920 | S | 82.9 | Confident | 85.3 | Confident | 29 Ų | 29 | 44.8 Ų | 44.8 | 20% | 0.203 | 23% | 0.227 | C | C | . | . | trans | -61.1 | 121 | 172.8 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | D1882 S1922 R1923 T1924 | D1882-S1920 VanDerWaalsContact CG-CB 3.48Å; D1882-S1920 WeakPolarHBondContact OD1-CB 3.49Å; D1882-S1920 PolarHBondContact OD1-N 3.06Å; D1882-S1920 VanDerWaalsContact OD2-CB 3.27Å; D1882-S1920 WeakPolarHBondContact OD2-CB 3.44Å; S1920-S1922 VanDerWaalsContact C-N 3.32Å; S1920-S1922 PolarHBondContact O-N 3.21Å; S1920-R1923 PolarHBondContact O-N 3.04Å; S1920-T1924 WeakPolarHBondContact O-CB 3.45Å; S1920-T1924 PolarHBondContact O-N 3.05Å; S1920-T1924 PolarHBondContact O-OG1 2.98Å | ||
| 1921 | P | 80.8 | Confident | 85.4 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 21% | 0.214 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.1 | -36.7 | -171.7 | 23 | -33 | 0 | 0 | 0 | 112 | A1919 R1923 T1924 L1925 I1951 L1955 | A1919-P1921 WeakPolarHBondContact O-CD 3.44Å; P1921-R1923 VanDerWaalsContact C-N 3.34Å; P1921-R1923 PolarHBondContact O-N 2.89Å; P1921-T1924 PolarHBondContact O-N 3.12Å; P1921-L1925 WeakPolarHBondContact O-CB 3.26Å; P1921-L1925 PolarHBondContact O-N 2.75Å; P1921-I1951 HydrophobicContact CB-CG2 3.86Å; P1921-L1955 HydrophobicContact CB-CD2 4.33Å; P1921-L1955 HydrophobicContact CG-CD2 4.13Å |
| 1922 | S | 80 | Confident | 85.4 | Confident | 50 Ų | 50 | 41.6 Ų | 41.6 | 35% | 0.35 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.7 | -34.6 | 178.5 | -47.3 | 0 | 0 | 0 | 0 | 113 | S1920 Q1926 | S1920-S1922 VanDerWaalsContact C-N 3.32Å; S1920-S1922 PolarHBondContact O-N 3.21Å; S1922-Q1926 WeakPolarHBondContact O-CB 3.26Å; S1922-Q1926 PolarHBondContact O-N 3.28Å |
| 1923 | R | 84.9 | Confident | 85.3 | Confident | 142 Ų | 142 | 42 Ų | 42 | 54% | 0.536 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -73 | -48.5 | 175.3 | -71.1 | -70.1 | -173.3 | 151.9 | 1.6 | 110.9 | V1885 S1920 P1921 L1925 Q1926 A1927 | V1885-R1923 HydrophobicContact CG1-CB 4.16Å; S1920-R1923 PolarHBondContact O-N 3.04Å; P1921-R1923 VanDerWaalsContact C-N 3.34Å; P1921-R1923 PolarHBondContact O-N 2.89Å; R1923-L1925 VanDerWaalsContact C-N 3.35Å; R1923-L1925 PolarHBondContact O-N 3.36Å; R1923-Q1926 PolarHBondContact O-N 2.84Å; R1923-A1927 PolarHBondContact O-N 3.06Å |
| 1924 | T | 88.2 | Confident | 85.2 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.1 | -48.3 | 177.4 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | I1889 I1916 A1919 S1920 P1921 A1927 L1928 I1951 | I1889-T1924 HydrophobicContact CD1-CG2 3.76Å; I1916-T1924 HydrophobicContact CG1-CG2 3.9Å; A1919-T1924 WeakPolarHBondContact CB-OG1 3.44Å; S1920-T1924 WeakPolarHBondContact O-CB 3.45Å; S1920-T1924 PolarHBondContact O-N 3.05Å; S1920-T1924 PolarHBondContact O-OG1 2.98Å; P1921-T1924 PolarHBondContact O-N 3.12Å; T1924-A1927 PolarHBondContact O-N 2.91Å; T1924-L1928 HydrophobicContact CG2-CD1 4.15Å; T1924-L1928 WeakPolarHBondContact O-CG 3.42Å; T1924-L1928 PolarHBondContact O-N 2.81Å; T1924-I1951 HydrophobicContact CG2-CD1 3.77Å |
| 1925 | L | 85.8 | Confident | 85.4 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.8 | -35.7 | -178.6 | -164.5 | 58.4 | 0 | 0 | 0 | 112 | P1921 R1923 I1929 V1948 I1951 V1952 F2016 L2020 | P1921-L1925 WeakPolarHBondContact O-CB 3.26Å; P1921-L1925 PolarHBondContact O-N 2.75Å; R1923-L1925 VanDerWaalsContact C-N 3.35Å; R1923-L1925 PolarHBondContact O-N 3.36Å; L1925-I1929 HydrophobicContact CG-CD1 4.42Å; L1925-I1929 WeakPolarHBondContact O-CB 3.4Å; L1925-I1929 WeakPolarHBondContact O-CD1 3.31Å; L1925-I1929 WeakPolarHBondContact O-CG1 3.39Å; L1925-I1929 PolarHBondContact O-N 2.92Å; L1925-I1929 VanDerWaalsContact O-N 3.09Å; L1925-V1948 HydrophobicContact CD1-CB 4.04Å; L1925-V1948 HydrophobicContact CD1-CG1 4.01Å; L1925-V1948 HydrophobicContact CD1-CG2 3.81Å; L1925-I1951 HydrophobicContact CB-CD1 4.27Å; L1925-I1951 HydrophobicContact CB-CG2 4.33Å; L1925-I1951 HydrophobicContact CD1-CB 4.12Å; L1925-I1951 HydrophobicContact CD1-CD1 3.82Å; L1925-I1951 HydrophobicContact CD1-CG2 4.32Å; L1925-I1951 HydrophobicContact CD2-CB 4.47Å; L1925-I1951 HydrophobicContact CD2-CG2 3.91Å; L1925-I1951 HydrophobicContact CG-CG2 4.44Å; L1925-V1952 HydrophobicContact CD2-CG2 3.86Å; L1925-F2016 HydrophobicContact CB-CE1 4.17Å; L1925-F2016 HydrophobicContact CB-CZ 3.65Å; L1925-F2016 HydrophobicContact CD2-CD1 4.17Å; L1925-F2016 HydrophobicContact CD2-CE1 3.28Å; L1925-F2016 HydrophobicContact CD2-CZ 3.68Å; L1925-F2016 HydrophobicContact CG-CE1 3.51Å; L1925-F2016 HydrophobicContact CG-CZ 3.5Å; L1925-L2020 HydrophobicContact CD2-CD2 4.29Å; L1925-L2020 HydrophobicContact CG-CD2 4.48Å |
| 1926 | Q | 85.6 | Confident | 85.4 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 39% | 0.393 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 170.3 | 176.2 | 170.9 | -32.8 | 0 | 0 | 111.9 | S1922 R1923 I1929 Q1930 F2016 R2019 | S1922-Q1926 WeakPolarHBondContact O-CB 3.26Å; S1922-Q1926 PolarHBondContact O-N 3.28Å; R1923-Q1926 PolarHBondContact O-N 2.84Å; Q1926-I1929 PolarHBondContact O-N 3.3Å; Q1926-Q1930 VanDerWaalsContact O-CB 3.29Å; Q1926-Q1930 WeakPolarHBondContact O-CB 3.42Å; Q1926-Q1930 PolarHBondContact O-N 3.45Å; Q1926-F2016 HydrophobicContact CB-CE2 4.44Å; Q1926-R2019 VanDerWaalsContact CD-NH1 3.32Å |
| 1927 | A | 87.9 | Confident | 85.5 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1886 I1889 R1923 T1924 I1929 Q1930 H1931 | D1886-A1927 HydrophobicContact CB-CB 4.27Å; I1889-A1927 HydrophobicContact CB-CB 4.17Å; I1889-A1927 HydrophobicContact CD1-CB 3.87Å; I1889-A1927 HydrophobicContact CG2-CB 4.12Å; R1923-A1927 PolarHBondContact O-N 3.06Å; T1924-A1927 PolarHBondContact O-N 2.91Å; A1927-I1929 PolarHBondContact O-N 3.46Å; A1927-Q1930 PolarHBondContact O-N 3.22Å; A1927-H1931 PolarHBondContact O-CD2 2.93Å; A1927-H1931 PolarHBondContact O-N 3.21Å |
| 1928 | L | 89.4 | Confident | 85.6 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 173.7 | -74.3 | 168.6 | 0 | 0 | 0 | 111.4 | I1889 L1893 T1924 Q1930 G1932 T1944 L1947 V1948 I1951 | I1889-L1928 HydrophobicContact CG2-CD2 3.83Å; I1889-L1928 HydrophobicContact CG2-CG 4.13Å; L1893-L1928 HydrophobicContact CD1-CD2 4.38Å; L1893-L1928 HydrophobicContact CD2-CD2 4.4Å; T1924-L1928 HydrophobicContact CG2-CD1 4.15Å; T1924-L1928 WeakPolarHBondContact O-CG 3.42Å; T1924-L1928 PolarHBondContact O-N 2.81Å; L1928-Q1930 VanDerWaalsContact C-N 3.33Å; L1928-Q1930 PolarHBondContact O-N 2.86Å; L1928-G1932 WeakPolarHBondContact O-CA 3.37Å; L1928-G1932 PolarHBondContact O-N 3.21Å; L1928-T1944 HydrophobicContact CB-CG2 4.15Å; L1928-T1944 VanDerWaalsContact O-CG2 3.24Å; L1928-T1944 WeakPolarHBondContact O-CG2 3.21Å; L1928-L1947 HydrophobicContact CD1-CB 3.83Å; L1928-L1947 HydrophobicContact CD2-CB 4.25Å; L1928-L1947 HydrophobicContact CD2-CD1 3.94Å; L1928-V1948 HydrophobicContact CB-CG2 4.15Å; L1928-I1951 HydrophobicContact CD1-CD1 3.51Å |
| 1929 | I | 87.6 | Confident | 85.6 | Confident | 29 Ų | 29 | 49.8 Ų | 49.8 | 15% | 0.149 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60 | -44 | 175.3 | -72.1 | 169 | 0 | 0 | 0 | 110.9 | L1925 Q1926 A1927 I1933 F2016 R2019 L2020 A2023 | L1925-I1929 HydrophobicContact CG-CD1 4.42Å; L1925-I1929 WeakPolarHBondContact O-CB 3.4Å; L1925-I1929 WeakPolarHBondContact O-CD1 3.31Å; L1925-I1929 WeakPolarHBondContact O-CG1 3.39Å; L1925-I1929 PolarHBondContact O-N 2.92Å; L1925-I1929 VanDerWaalsContact O-N 3.09Å; Q1926-I1929 PolarHBondContact O-N 3.3Å; A1927-I1929 PolarHBondContact O-N 3.46Å; I1929-I1933 HydrophobicContact CB-CD1 4.02Å; I1929-I1933 HydrophobicContact CG1-CD1 4.15Å; I1929-I1933 HydrophobicContact CG2-CD1 3.75Å; I1929-I1933 WeakPolarHBondContact O-CD1 3.49Å; I1929-I1933 WeakPolarHBondContact O-CG1 3.49Å; I1929-F2016 HydrophobicContact CD1-CE1 4Å; I1929-F2016 HydrophobicContact CD1-CZ 4.01Å; I1929-R2019 HydrophobicContact CD1-CB 4.29Å; I1929-L2020 HydrophobicContact CD1-CD2 4.12Å; I1929-A2023 HydrophobicContact CG1-CB 4.32Å |
| 1930 | Q | 87.6 | Confident | 85.6 | Confident | 133 Ų | 133 | 49.4 Ų | 49.4 | 62% | 0.621 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -70.6 | -38.6 | -173.9 | -175.5 | 58 | 81.1 | 0 | 0 | 114.3 | Q1926 A1927 L1928 | Q1926-Q1930 VanDerWaalsContact O-CB 3.29Å; Q1926-Q1930 WeakPolarHBondContact O-CB 3.42Å; Q1926-Q1930 PolarHBondContact O-N 3.45Å; A1927-Q1930 PolarHBondContact O-N 3.22Å; L1928-Q1930 VanDerWaalsContact C-N 3.33Å; L1928-Q1930 PolarHBondContact O-N 2.86Å |
| 1931 | H | 88.7 | Confident | 86 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 22% | 0.222 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -106.2 | -23.6 | -172.7 | -57.5 | -61.9 | 0 | 0 | 0 | 114 | D1886 R1890 L1893 A1927 | D1886-H1931 IonicContact OD1-CD2 2.74Å; D1886-H1931 IonicContact OD1-CE1 4Å; D1886-H1931 IonicContact OD1-NE2 2.68Å; D1886-H1931 PolarHBondContact OD1-NE2 3.47Å; D1886-H1931 IonicContact OD2-CE1 2.87Å; D1886-H1931 IonicContact OD2-NE2 3.82Å; D1886-H1931 PolarHBondContact OD2-NE2 3.24Å; D1886-H1931 VanDerWaalsContact OD2-NE2 3.12Å; R1890-H1931 HydrophobicContact CB-CB 4.42Å; R1890-H1931 VanDerWaalsContact CD-CE1 3.47Å; R1890-H1931 WeakPolarHBondContact CD-CE1 3.48Å; R1890-H1931 WeakPolarHBondContact CD-ND1 3.33Å; R1890-H1931 PolarHBondContact NE-CE1 3.2Å; R1890-H1931 VanDerWaalsContact NE-CE1 3.33Å; L1893-H1931 HydrophobicContact CD1-CB 3.88Å; A1927-H1931 PolarHBondContact O-CD2 2.93Å; A1927-H1931 PolarHBondContact O-N 3.21Å |
| 1932 | G | 86.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -94.7 | -42 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1928 H1935 T1944 | L1928-G1932 WeakPolarHBondContact O-CA 3.37Å; L1928-G1932 PolarHBondContact O-N 3.21Å; G1932-H1935 VanDerWaalsContact O-CB 3.26Å; G1932-H1935 WeakPolarHBondContact O-CB 3.16Å; G1932-H1935 PolarHBondContact O-N 3.45Å; G1932-T1944 WeakPolarHBondContact CA-OG1 3.28Å |
| 1933 | I | 83.9 | Confident | 86.9 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -49.1 | -168.4 | -52.8 | 170.5 | 0 | 0 | 0 | 111.8 | I1929 H1935 R1941 T1944 A2023 Q2026 F2027 | I1929-I1933 HydrophobicContact CB-CD1 4.02Å; I1929-I1933 HydrophobicContact CG1-CD1 4.15Å; I1929-I1933 HydrophobicContact CG2-CD1 3.75Å; I1929-I1933 WeakPolarHBondContact O-CD1 3.49Å; I1929-I1933 WeakPolarHBondContact O-CG1 3.49Å; I1933-H1935 PolarHBondContact O-N 3.32Å; I1933-R1941 WeakPolarHBondContact O-CD 3.37Å; I1933-R1941 WeakPolarHBondContact O-CG 3.4Å; I1933-T1944 HydrophobicContact CG1-CG2 4.34Å; I1933-A2023 HydrophobicContact CD1-CB 3.35Å; I1933-A2023 HydrophobicContact CG1-CB 4.5Å; I1933-Q2026 HydrophobicContact CG2-CB 3.74Å; I1933-Q2026 HydrophobicContact CG2-CG 4.4Å; I1933-Q2026 VanDerWaalsContact CG2-OE1 3.29Å; I1933-F2027 HydrophobicContact CD1-CZ 4.48Å; I1933-F2027 HydrophobicContact CG1-CE1 4.13Å; I1933-F2027 HydrophobicContact CG1-CZ 3.82Å; I1933-F2027 HydrophobicContact CG2-CE1 4.31Å |
| 1934 | G | 81.6 | Confident | 87.1 | Confident | 73 Ų | 73 | 41.6 Ų | 41.6 | 75% | 0.753 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1935 | H | 87.4 | Confident | 87.3 | Confident | 59 Ų | 59 | 41.5 Ų | 41.5 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | trans | -72.2 | 137.3 | -171 | -167 | -97.9 | 0 | 0 | 0 | 112.5 | G1932 I1933 N1937 V1940 R1941 | G1932-H1935 VanDerWaalsContact O-CB 3.26Å; G1932-H1935 WeakPolarHBondContact O-CB 3.16Å; G1932-H1935 PolarHBondContact O-N 3.45Å; I1933-H1935 PolarHBondContact O-N 3.32Å; H1935-N1937 PolarHBondContact ND1-N 3.38Å; H1935-N1937 PolarHBondContact O-N 2.87Å; H1935-V1940 HydrophobicContact CB-CB 4.1Å; H1935-V1940 HydrophobicContact CB-CG1 3.82Å; H1935-V1940 WeakPolarHBondContact ND1-CB 3.46Å; H1935-V1940 WeakPolarHBondContact ND1-CG2 3.28Å; H1935-R1941 HydrophobicContact CB-CG 4.48Å; H1935-R1941 VanDerWaalsContact O-CD 3.3Å; H1935-R1941 WeakPolarHBondContact O-CD 3.27Å; H1935-R1941 VanDerWaalsContact O-CG 3.31Å; H1935-R1941 WeakPolarHBondContact O-CG 3.21Å; H1935-R1941 PolarHBondContact O-NH1 2.91Å | ||
| 1936 | K | 86.1 | Confident | 87.5 | Confident | 198 Ų | 198 | 43.5 Ų | 43.5 | 86% | 0.861 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -64.3 | -39.4 | -173.7 | -65.7 | -176.8 | -179.5 | 179.5 | 0 | 113.3 | P1938 R1941 | K1936-P1938 WeakPolarHBondContact O-CD 3.47Å; K1936-R1941 PolarHBondContact O-NH1 3.12Å |
| 1937 | N | 86.1 | Confident | 87.7 | Confident | 54 Ų | 54 | 39.6 Ų | 39.6 | 29% | 0.289 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -74.7 | 121.4 | 178.4 | -175.5 | -25.2 | 0 | 0 | 0 | 110.8 | G1897 H1935 A1939 V1940 | G1897-N1937 WeakPolarHBondContact CA-ND2 3.28Å; G1897-N1937 PolarHBondContact O-ND2 3Å; H1935-N1937 PolarHBondContact ND1-N 3.38Å; H1935-N1937 PolarHBondContact O-N 2.87Å; N1937-A1939 VanDerWaalsContact C-N 3.27Å; N1937-A1939 PolarHBondContact O-N 3.25Å; N1937-A1939 WeakPolarHBondContact OD1-CB 3.45Å; N1937-A1939 PolarHBondContact OD1-N 3.13Å; N1937-V1940 HydrophobicContact CB-CG2 4.15Å; N1937-V1940 PolarHBondContact O-N 2.75Å |
| 1938 | P | 85.4 | Confident | 87.8 | Confident | 64 Ų | 64 | 39.5 Ų | 39.5 | 42% | 0.416 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.6 | -31.7 | 178.4 | -24.1 | 33.9 | 0 | 0 | 0 | 115 | K1936 V1940 R1941 L1942 | K1936-P1938 WeakPolarHBondContact O-CD 3.47Å; P1938-V1940 PolarHBondContact O-N 3.05Å; P1938-R1941 PolarHBondContact O-N 3.3Å; P1938-L1942 WeakPolarHBondContact O-CB 3.47Å; P1938-L1942 PolarHBondContact O-N 2.95Å |
| 1939 | A | 84.3 | Confident | 87.7 | Confident | 22 Ų | 22 | 39.5 Ų | 39.5 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.3 | -31.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1937 Q1943 | N1937-A1939 VanDerWaalsContact C-N 3.27Å; N1937-A1939 PolarHBondContact O-N 3.25Å; N1937-A1939 WeakPolarHBondContact OD1-CB 3.45Å; N1937-A1939 PolarHBondContact OD1-N 3.13Å; A1939-Q1943 PolarHBondContact O-N 3.05Å; A1939-Q1943 VanDerWaalsContact O-N 3.08Å |
| 1940 | V | 88 | Confident | 87.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74 | -41.7 | 175.7 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | L1893 T1896 G1897 H1935 N1937 P1938 L1942 Q1943 T1944 | L1893-V1940 HydrophobicContact CB-CG1 3.9Å; L1893-V1940 HydrophobicContact CD2-CG1 3.79Å; L1893-V1940 HydrophobicContact CG-CG1 4.34Å; L1893-V1940 WeakPolarHBondContact O-CG2 3.49Å; T1896-V1940 HydrophobicContact CG2-CG2 4.11Å; G1897-V1940 VanDerWaalsContact CA-CG2 3.41Å; H1935-V1940 HydrophobicContact CB-CB 4.1Å; H1935-V1940 HydrophobicContact CB-CG1 3.82Å; H1935-V1940 WeakPolarHBondContact ND1-CB 3.46Å; H1935-V1940 WeakPolarHBondContact ND1-CG2 3.28Å; N1937-V1940 HydrophobicContact CB-CG2 4.15Å; N1937-V1940 PolarHBondContact O-N 2.75Å; P1938-V1940 PolarHBondContact O-N 3.05Å; V1940-L1942 VanDerWaalsContact C-N 3.34Å; V1940-L1942 PolarHBondContact O-N 3.15Å; V1940-Q1943 PolarHBondContact O-N 3.32Å; V1940-T1944 WeakPolarHBondContact O-CB 3.17Å; V1940-T1944 PolarHBondContact O-N 2.94Å; V1940-T1944 PolarHBondContact O-OG1 3.19Å |
| 1941 | R | 91.4 | Very high | 87.6 | Confident | 44 Ų | 44 | 37 Ų | 37 | 17% | 0.166 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | 175.8 | -60.2 | -162.4 | -59.8 | -81.3 | 3.2 | 111.8 | I1933 H1935 K1936 P1938 T1944 A1945 D2030 | I1933-R1941 WeakPolarHBondContact O-CD 3.37Å; I1933-R1941 WeakPolarHBondContact O-CG 3.4Å; H1935-R1941 HydrophobicContact CB-CG 4.48Å; H1935-R1941 VanDerWaalsContact O-CD 3.3Å; H1935-R1941 WeakPolarHBondContact O-CD 3.27Å; H1935-R1941 VanDerWaalsContact O-CG 3.31Å; H1935-R1941 WeakPolarHBondContact O-CG 3.21Å; H1935-R1941 PolarHBondContact O-NH1 2.91Å; K1936-R1941 PolarHBondContact O-NH1 3.12Å; P1938-R1941 PolarHBondContact O-N 3.3Å; R1941-T1944 PolarHBondContact O-N 3.31Å; R1941-A1945 PolarHBondContact O-N 3.4Å; R1941-D2030 IonicContact CZ-OD2 3.68Å; R1941-D2030 IonicContact NE-OD2 2.67Å; R1941-D2030 PolarHBondContact NE-OD2 2.91Å; R1941-D2030 IonicContact NH2-OD1 3.7Å; R1941-D2030 IonicContact NH2-OD2 2.73Å; R1941-D2030 PolarHBondContact NH2-OD2 3.31Å |
| 1942 | L | 90 | Very high | 87.3 | Confident | 20 Ų | 20 | 35.2 Ų | 35.2 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.9 | -54.2 | 173.3 | 172.7 | 62.3 | 0 | 0 | 0 | 112.1 | P1938 V1940 T1944 A1945 L1946 E2034 Y2038 | P1938-L1942 WeakPolarHBondContact O-CB 3.47Å; P1938-L1942 PolarHBondContact O-N 2.95Å; V1940-L1942 VanDerWaalsContact C-N 3.34Å; V1940-L1942 PolarHBondContact O-N 3.15Å; L1942-T1944 VanDerWaalsContact C-N 3.29Å; L1942-T1944 PolarHBondContact O-N 3.43Å; L1942-A1945 PolarHBondContact O-N 2.94Å; L1942-A1945 VanDerWaalsContact O-N 3.16Å; L1942-L1946 PolarHBondContact O-N 2.82Å; L1942-E2034 HydrophobicContact CD1-CB 3.54Å; L1942-E2034 VanDerWaalsContact CD2-OE2 3.26Å; L1942-E2034 WeakPolarHBondContact CD2-OE2 3.14Å; L1942-Y2038 HydrophobicContact CD1-CD2 3.77Å; L1942-Y2038 HydrophobicContact CD1-CE2 3.88Å |
| 1943 | Q | 88.1 | Confident | 87 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -42.4 | 177.3 | -80.5 | -67.7 | -17.8 | 0 | 0 | 110.9 | T1896 A1939 V1940 A1945 L1946 L1947 | T1896-Q1943 HydrophobicContact CG2-CB 4.42Å; T1896-Q1943 HydrophobicContact CG2-CG 4.05Å; A1939-Q1943 PolarHBondContact O-N 3.05Å; A1939-Q1943 VanDerWaalsContact O-N 3.08Å; V1940-Q1943 PolarHBondContact O-N 3.32Å; Q1943-A1945 PolarHBondContact O-N 3.49Å; Q1943-L1946 PolarHBondContact O-N 3.18Å; Q1943-L1947 WeakPolarHBondContact O-CB 3.4Å; Q1943-L1947 WeakPolarHBondContact O-CD1 3.46Å; Q1943-L1947 WeakPolarHBondContact O-CG 3.19Å; Q1943-L1947 PolarHBondContact O-N 3.07Å |
| 1944 | T | 90.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58 | -45.7 | 175 | -49.9 | 0 | 0 | 0 | 0 | 111.7 | L1928 G1932 I1933 V1940 R1941 L1942 L1947 V1948 F2027 | L1928-T1944 HydrophobicContact CB-CG2 4.15Å; L1928-T1944 VanDerWaalsContact O-CG2 3.24Å; L1928-T1944 WeakPolarHBondContact O-CG2 3.21Å; G1932-T1944 WeakPolarHBondContact CA-OG1 3.28Å; I1933-T1944 HydrophobicContact CG1-CG2 4.34Å; V1940-T1944 WeakPolarHBondContact O-CB 3.17Å; V1940-T1944 PolarHBondContact O-N 2.94Å; V1940-T1944 PolarHBondContact O-OG1 3.19Å; R1941-T1944 PolarHBondContact O-N 3.31Å; L1942-T1944 VanDerWaalsContact C-N 3.29Å; L1942-T1944 PolarHBondContact O-N 3.43Å; T1944-L1947 PolarHBondContact O-N 3Å; T1944-V1948 HydrophobicContact CG2-CG2 4.17Å; T1944-V1948 VanDerWaalsContact O-CB 3.22Å; T1944-V1948 WeakPolarHBondContact O-CB 3.45Å; T1944-V1948 WeakPolarHBondContact O-CG2 3.39Å; T1944-V1948 PolarHBondContact O-N 3.48Å; T1944-F2027 HydrophobicContact CG2-CE1 4.45Å; T1944-F2027 HydrophobicContact CG2-CZ 3.97Å |
| 1945 | A | 91 | Very high | 86.2 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1941 L1942 Q1943 S1949 F2027 T2035 | R1941-A1945 PolarHBondContact O-N 3.4Å; L1942-A1945 PolarHBondContact O-N 2.94Å; L1942-A1945 VanDerWaalsContact O-N 3.16Å; Q1943-A1945 PolarHBondContact O-N 3.49Å; A1945-S1949 WeakPolarHBondContact O-CB 3.29Å; A1945-S1949 PolarHBondContact O-N 3.37Å; A1945-F2027 HydrophobicContact CB-CD1 3.72Å; A1945-F2027 HydrophobicContact CB-CD2 4.24Å; A1945-F2027 HydrophobicContact CB-CE1 3.73Å; A1945-F2027 HydrophobicContact CB-CE2 4.25Å; A1945-F2027 HydrophobicContact CB-CG 3.99Å; A1945-F2027 HydrophobicContact CB-CZ 4Å; A1945-T2035 HydrophobicContact CB-CG2 3.88Å |
| 1946 | L | 90.9 | Very high | 85 | Confident | 45 Ų | 45 | 36.2 Ų | 36.2 | 24% | 0.236 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.3 | -53.5 | 175.8 | -174.6 | 164.8 | 0 | 0 | 0 | 110.7 | L1942 Q1943 V1948 S1949 R1950 Y2038 | L1942-L1946 PolarHBondContact O-N 2.82Å; Q1943-L1946 PolarHBondContact O-N 3.18Å; L1946-V1948 PolarHBondContact O-N 3.37Å; L1946-S1949 PolarHBondContact O-N 3.36Å; L1946-R1950 WeakPolarHBondContact O-CB 3.34Å; L1946-R1950 PolarHBondContact O-N 3.23Å; L1946-Y2038 HydrophobicContact CB-CD1 4.26Å; L1946-Y2038 HydrophobicContact CB-CD2 4.44Å; L1946-Y2038 HydrophobicContact CB-CE1 4.23Å; L1946-Y2038 HydrophobicContact CB-CE2 4.43Å; L1946-Y2038 HydrophobicContact CB-CG 4.38Å; L1946-Y2038 HydrophobicContact CD1-CE1 4.34Å; L1946-Y2038 HydrophobicContact CD1-CE2 4.38Å; L1946-Y2038 HydrophobicContact CG-CD1 4.42Å; L1946-Y2038 HydrophobicContact CG-CE1 3.94Å |
| 1947 | L | 89.6 | Confident | 83.7 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | -178.1 | -63.2 | 171.1 | 0 | 0 | 0 | 111.8 | M1912 I1916 L1928 Q1943 T1944 R1950 I1951 | M1912-L1947 HydrophobicContact CB-CD1 3.89Å; M1912-L1947 HydrophobicContact CB-CD2 3.94Å; M1912-L1947 HydrophobicContact CE-CD1 4.28Å; M1912-L1947 HydrophobicContact CG-CD1 4.03Å; M1912-L1947 HydrophobicContact SD-CD1 4.16Å; I1916-L1947 HydrophobicContact CD1-CB 3.75Å; I1916-L1947 HydrophobicContact CD1-CD2 3.38Å; I1916-L1947 HydrophobicContact CD1-CG 4.04Å; L1928-L1947 HydrophobicContact CD1-CB 3.83Å; L1928-L1947 HydrophobicContact CD2-CB 4.25Å; L1928-L1947 HydrophobicContact CD2-CD1 3.94Å; Q1943-L1947 WeakPolarHBondContact O-CB 3.4Å; Q1943-L1947 WeakPolarHBondContact O-CD1 3.46Å; Q1943-L1947 WeakPolarHBondContact O-CG 3.19Å; Q1943-L1947 PolarHBondContact O-N 3.07Å; T1944-L1947 PolarHBondContact O-N 3Å; L1947-R1950 PolarHBondContact O-N 3.25Å; L1947-I1951 WeakPolarHBondContact O-CD1 3.03Å; L1947-I1951 VanDerWaalsContact O-CG1 3.3Å; L1947-I1951 WeakPolarHBondContact O-CG1 3.01Å; L1947-I1951 PolarHBondContact O-N 2.83Å |
| 1948 | V | 90 | Very high | 81.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.3 | -49.9 | 172.8 | 165.4 | 0 | 0 | 0 | 0 | 111.2 | L1925 L1928 T1944 L1946 R1950 I1951 V1952 L2020 F2027 L2042 | L1925-V1948 HydrophobicContact CD1-CB 4.04Å; L1925-V1948 HydrophobicContact CD1-CG1 4.01Å; L1925-V1948 HydrophobicContact CD1-CG2 3.81Å; L1928-V1948 HydrophobicContact CB-CG2 4.15Å; T1944-V1948 HydrophobicContact CG2-CG2 4.17Å; T1944-V1948 VanDerWaalsContact O-CB 3.22Å; T1944-V1948 WeakPolarHBondContact O-CB 3.45Å; T1944-V1948 WeakPolarHBondContact O-CG2 3.39Å; T1944-V1948 PolarHBondContact O-N 3.48Å; L1946-V1948 PolarHBondContact O-N 3.37Å; V1948-R1950 VanDerWaalsContact C-N 3.29Å; V1948-R1950 PolarHBondContact O-N 3.26Å; V1948-I1951 PolarHBondContact O-N 2.66Å; V1948-V1952 WeakPolarHBondContact O-CG2 3.32Å; V1948-V1952 PolarHBondContact O-N 3.25Å; V1948-V1952 VanDerWaalsContact O-N 3.1Å; V1948-L2020 HydrophobicContact CG1-CD2 3.92Å; V1948-F2027 HydrophobicContact CB-CE2 4.28Å; V1948-F2027 HydrophobicContact CG1-CE2 4.15Å; V1948-F2027 HydrophobicContact CG2-CE2 4.32Å; V1948-F2027 HydrophobicContact CG2-CZ 4.37Å; V1948-L2042 HydrophobicContact CG1-CD1 4.19Å; V1948-L2042 HydrophobicContact CG1-CD2 3.76Å |
| 1949 | S | 88 | Confident | 80.1 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.5 | -45.4 | 176.5 | -162.9 | 0 | 0 | 0 | 0 | 110.4 | A1945 L1946 I1951 V1952 E1953 | A1945-S1949 WeakPolarHBondContact O-CB 3.29Å; A1945-S1949 PolarHBondContact O-N 3.37Å; L1946-S1949 PolarHBondContact O-N 3.36Å; S1949-I1951 PolarHBondContact O-N 2.98Å; S1949-V1952 PolarHBondContact O-N 3.21Å; S1949-E1953 WeakPolarHBondContact O-CB 3.48Å; S1949-E1953 WeakPolarHBondContact O-CG 3.47Å; S1949-E1953 PolarHBondContact O-N 3.38Å; S1949-E1953 PolarHBondContact OG-OE1 3.31Å |
| 1950 | R | 86.7 | Confident | 77.8 | Confident | 103 Ų | 103 | 40.4 Ų | 40.4 | 39% | 0.389 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.1 | -44.1 | -178.2 | -170.1 | 60.5 | 173.7 | 135.9 | 6 | 113.2 | L1946 L1947 V1948 N1954 | L1946-R1950 WeakPolarHBondContact O-CB 3.34Å; L1946-R1950 PolarHBondContact O-N 3.23Å; L1947-R1950 PolarHBondContact O-N 3.25Å; V1948-R1950 VanDerWaalsContact C-N 3.29Å; V1948-R1950 PolarHBondContact O-N 3.26Å; R1950-N1954 PolarHBondContact NH1-OD1 2.86Å; R1950-N1954 PolarHBondContact O-N 3.25Å; R1950-N1954 PolarHBondContact O-ND2 3.03Å |
| 1951 | I | 85.3 | Confident | 75.2 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.5 | -45.6 | 177.2 | -62.6 | 156.6 | 0 | 0 | 0 | 110.5 | I1916 P1921 T1924 L1925 L1928 L1947 V1948 S1949 E1953 N1954 L1955 | I1916-I1951 HydrophobicContact CD1-CD1 3.99Å; I1916-I1951 HydrophobicContact CD1-CG1 4.03Å; I1916-I1951 HydrophobicContact CG1-CD1 4Å; I1916-I1951 HydrophobicContact CG1-CG1 4.07Å; I1916-I1951 HydrophobicContact CG2-CG1 3.76Å; P1921-I1951 HydrophobicContact CB-CG2 3.86Å; T1924-I1951 HydrophobicContact CG2-CD1 3.77Å; L1925-I1951 HydrophobicContact CB-CD1 4.27Å; L1925-I1951 HydrophobicContact CB-CG2 4.33Å; L1925-I1951 HydrophobicContact CD1-CB 4.12Å; L1925-I1951 HydrophobicContact CD1-CD1 3.82Å; L1925-I1951 HydrophobicContact CD1-CG2 4.32Å; L1925-I1951 HydrophobicContact CD2-CB 4.47Å; L1925-I1951 HydrophobicContact CD2-CG2 3.91Å; L1925-I1951 HydrophobicContact CG-CG2 4.44Å; L1928-I1951 HydrophobicContact CD1-CD1 3.51Å; L1947-I1951 WeakPolarHBondContact O-CD1 3.03Å; L1947-I1951 VanDerWaalsContact O-CG1 3.3Å; L1947-I1951 WeakPolarHBondContact O-CG1 3.01Å; L1947-I1951 PolarHBondContact O-N 2.83Å; V1948-I1951 PolarHBondContact O-N 2.66Å; S1949-I1951 PolarHBondContact O-N 2.98Å; I1951-E1953 PolarHBondContact O-N 2.92Å; I1951-N1954 PolarHBondContact O-N 3.43Å; I1951-L1955 HydrophobicContact CG2-CD1 3.94Å; I1951-L1955 HydrophobicContact CG2-CG 4.37Å; I1951-L1955 WeakPolarHBondContact O-CG 3.49Å; I1951-L1955 PolarHBondContact O-N 3.13Å |
| 1952 | V | 82.4 | Confident | 72.2 | Confident | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.2 | -40.1 | -177.7 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | L1925 V1948 S1949 L1955 S1956 L2020 L2042 T2045 L2046 | L1925-V1952 HydrophobicContact CD2-CG2 3.86Å; V1948-V1952 WeakPolarHBondContact O-CG2 3.32Å; V1948-V1952 PolarHBondContact O-N 3.25Å; V1948-V1952 VanDerWaalsContact O-N 3.1Å; S1949-V1952 PolarHBondContact O-N 3.21Å; V1952-L1955 PolarHBondContact O-N 3.02Å; V1952-S1956 PolarHBondContact O-N 2.65Å; V1952-S1956 PolarHBondContact O-OG 3.12Å; V1952-L2020 HydrophobicContact CG2-CD1 3.75Å; V1952-L2020 HydrophobicContact CG2-CD2 3.85Å; V1952-L2020 HydrophobicContact CG2-CG 4.49Å; V1952-L2042 HydrophobicContact CB-CD1 3.87Å; V1952-L2042 HydrophobicContact CG1-CD1 3.88Å; V1952-L2042 HydrophobicContact CG2-CD1 3.89Å; V1952-T2045 HydrophobicContact CG1-CG2 3.98Å; V1952-L2046 HydrophobicContact CG1-CD2 3.98Å; V1952-L2046 HydrophobicContact CG1-CG 4.48Å |
| 1953 | E | 81.1 | Confident | 69.3 | Low | 21 Ų | 21 | 57.2 Ų | 57.2 | 10% | 0.098 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 172 | -72.8 | 163 | -137.9 | 0 | 0 | 112.3 | S1949 I1951 L1955 S1956 N1957 R2041 T2045 | S1949-E1953 WeakPolarHBondContact O-CB 3.48Å; S1949-E1953 WeakPolarHBondContact O-CG 3.47Å; S1949-E1953 PolarHBondContact O-N 3.38Å; S1949-E1953 PolarHBondContact OG-OE1 3.31Å; I1951-E1953 PolarHBondContact O-N 2.92Å; E1953-L1955 VanDerWaalsContact C-N 3.35Å; E1953-S1956 PolarHBondContact O-OG 3.01Å; E1953-N1957 WeakPolarHBondContact O-CB 3.3Å; E1953-N1957 VanDerWaalsContact O-CG 3.24Å; E1953-N1957 PolarHBondContact O-N 3.15Å; E1953-N1957 VanDerWaalsContact O-N 3.11Å; E1953-N1957 PolarHBondContact O-ND2 3.01Å; E1953-R2041 IonicContact OE1-CZ 3.26Å; E1953-R2041 IonicContact OE1-NE 2.76Å; E1953-R2041 PolarHBondContact OE1-NE 3.14Å; E1953-R2041 IonicContact OE1-NH2 3.09Å; E1953-R2041 PolarHBondContact OE1-NH2 3.35Å; E1953-R2041 IonicContact OE2-CZ 3.7Å; E1953-R2041 IonicContact OE2-NE 2.67Å; E1953-R2041 IonicContact OE2-NH2 3.22Å; E1953-R2041 PolarHBondContact OE2-NH2 3.4Å; E1953-T2045 HydrophobicContact CG-CG2 4.3Å |
| 1954 | N | 74.9 | Confident | 66.4 | Low | 56 Ų | 56 | 61.2 Ų | 61.2 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 177.9 | -69.7 | -15 | 0 | 0 | 0 | 111.1 | R1950 I1951 H1958 | R1950-N1954 PolarHBondContact NH1-OD1 2.86Å; R1950-N1954 PolarHBondContact O-N 3.25Å; R1950-N1954 PolarHBondContact O-ND2 3.03Å; I1951-N1954 PolarHBondContact O-N 3.43Å; N1954-H1958 PolarHBondContact O-N 3.22Å; N1954-H1958 VanDerWaalsContact O-N 3.16Å |
| 1955 | L | 72.1 | Confident | 63.2 | Low | 42 Ų | 42 | 68.5 Ų | 68.5 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 176.5 | -69.6 | 172.1 | 0 | 0 | 0 | 112.6 | P1921 I1951 V1952 E1953 N1957 H1958 G1959 W1991 | P1921-L1955 HydrophobicContact CB-CD2 4.33Å; P1921-L1955 HydrophobicContact CG-CD2 4.13Å; I1951-L1955 HydrophobicContact CG2-CD1 3.94Å; I1951-L1955 HydrophobicContact CG2-CG 4.37Å; I1951-L1955 WeakPolarHBondContact O-CG 3.49Å; I1951-L1955 PolarHBondContact O-N 3.13Å; V1952-L1955 PolarHBondContact O-N 3.02Å; E1953-L1955 VanDerWaalsContact C-N 3.35Å; L1955-N1957 VanDerWaalsContact C-N 3.33Å; L1955-N1957 PolarHBondContact O-N 2.9Å; L1955-H1958 PolarHBondContact O-N 3.01Å; L1955-G1959 PolarHBondContact O-N 2.88Å; L1955-W1991 HydrophobicContact CD2-CH2 4.16Å; L1955-W1991 HydrophobicContact CD2-CZ2 4.45Å |
| 1956 | S | 64.1 | Low | 59.9 | Low | 47 Ų | 47 | 78.7 Ų | 78.7 | 33% | 0.329 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64 | -39.4 | 179.1 | 64.7 | 0 | 0 | 0 | 0 | 112 | V1952 E1953 G1959 R1960 T2045 | V1952-S1956 PolarHBondContact O-N 2.65Å; V1952-S1956 PolarHBondContact O-OG 3.12Å; E1953-S1956 PolarHBondContact O-OG 3.01Å; S1956-G1959 PolarHBondContact O-N 3.05Å; S1956-R1960 PolarHBondContact O-N 2.64Å; S1956-T2045 WeakPolarHBondContact OG-CG2 3.45Å |
| 1957 | N | 57.2 | Low | 56.8 | Low | 95 Ų | 95 | 83.9 Ų | 83.9 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66 | -38 | 177.3 | -73.9 | -42.1 | 0 | 0 | 0 | 112.4 | E1953 L1955 | E1953-N1957 WeakPolarHBondContact O-CB 3.3Å; E1953-N1957 VanDerWaalsContact O-CG 3.24Å; E1953-N1957 PolarHBondContact O-N 3.15Å; E1953-N1957 VanDerWaalsContact O-N 3.11Å; E1953-N1957 PolarHBondContact O-ND2 3.01Å; L1955-N1957 VanDerWaalsContact C-N 3.33Å; L1955-N1957 PolarHBondContact O-N 2.9Å |
| 1958 | H | 49.6 | Very low | 53.8 | Low | 111 Ų | 111 | 91.9 Ų | 91.9 | 51% | 0.514 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.8 | -40.2 | 174.4 | -74.2 | -11.9 | 0 | 0 | 0 | 113.1 | N1954 L1955 R1960 M1961 | N1954-H1958 PolarHBondContact O-N 3.22Å; N1954-H1958 VanDerWaalsContact O-N 3.16Å; L1955-H1958 PolarHBondContact O-N 3.01Å; H1958-R1960 PolarHBondContact O-N 2.71Å; H1958-M1961 PolarHBondContact O-N 3.38Å |
| 1959 | G | 47.9 | Very low | 50.9 | Low | 37 Ų | 37 | 99.3 Ų | 99.3 | 38% | 0.381 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.2 | -36.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | L1955 S1956 M1961 | L1955-G1959 PolarHBondContact O-N 2.88Å; S1956-G1959 PolarHBondContact O-N 3.05Å; G1959-M1961 PolarHBondContact O-N 2.75Å |
| 1960 | R | 36 | Very low | 47.7 | Very low | 184 Ų | 184 | 106.3 Ų | 106.3 | 69% | 0.694 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -72 | -25.3 | -179.5 | -156.6 | 170.2 | -172.9 | 159.9 | 1.6 | 113.9 | S1956 H1958 N1962 | S1956-R1960 PolarHBondContact O-N 2.64Å; H1958-R1960 PolarHBondContact O-N 2.71Å; R1960-N1962 VanDerWaalsContact C-N 3.3Å; R1960-N1962 PolarHBondContact O-N 3.28Å |
| 1961 | M | 31.8 | Very low | 44.7 | Very low | 147 Ų | 147 | 113.7 Ų | 113.7 | 72% | 0.724 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 0.3 | 179 | -66.3 | -145 | -59.1 | 0 | 0 | 114.8 | H1958 G1959 | H1958-M1961 PolarHBondContact O-N 3.38Å; G1959-M1961 PolarHBondContact O-N 2.75Å |
| 1962 | N | 29.6 | Very low | 41.8 | Very low | 139 Ų | 139 | 117.3 Ų | 117.3 | 74% | 0.743 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | 21.4 | 179.3 | -156.8 | 16 | 0 | 0 | 0 | 114 | R1960 | R1960-N1962 VanDerWaalsContact C-N 3.3Å; R1960-N1962 PolarHBondContact O-N 3.28Å |
| 1963 | L | 27.6 | Very low | 38.8 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 69% | 0.686 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -114.1 | -5.4 | 175.9 | -113 | 72.3 | 0 | 0 | 0 | 114.3 | ||
| 1964 | S | 27.4 | Very low | 36 | Very low | 109 Ų | 109 | 126 Ų | 126 | 76% | 0.762 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -94.5 | 8.7 | -173.1 | 60.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1965 | N | 24.8 | Very low | 33.6 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | trans | -133.3 | 68.4 | 178.9 | -166.2 | 19.4 | 0 | 0 | 0 | 112.3 | ||||
| 1966 | R | 22 | Very low | 31.2 | Very low | 215 Ų | 215 | 133 Ų | 133 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | -141.6 | 52.1 | 174.4 | -152.1 | 176.8 | -166.4 | -172.9 | 2.3 | 112.7 | ||||
| 1967 | N | 24.9 | Very low | 29.4 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -149.4 | 84.2 | 168.7 | -98 | -19.7 | 0 | 0 | 0 | 110.2 | ||||
| 1968 | N | 27 | Very low | 27.7 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -166.2 | 147.8 | 135 | -105.1 | -29.8 | 0 | 0 | 0 | 113.4 | ||||
| 1969 | I | 27.9 | Very low | 26.4 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -81.4 | 150.7 | -162.7 | -68.2 | 161 | 0 | 0 | 0 | 113 | ||||
| 1970 | N | 22.3 | Very low | 25.3 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -30.8 | 130.6 | 164.8 | -57.6 | -20.2 | 0 | 0 | 0 | 115.7 | ||||
| 1971 | R | 22.8 | Very low | 24.6 | Very low | 258 Ų | 258 | 145.4 Ų | 145.4 | 97% | 0.974 | 82% | 0.82 | S | S | * | * | trans | -170.8 | 157.2 | 141.9 | -107.9 | 167.1 | -166.9 | -159.9 | 3.9 | 111 | ||||
| 1972 | G | 24.3 | Very low | 24.1 | Very low | 81 Ų | 81 | 144.7 Ų | 144.7 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | 92.9 | 90 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1973 | S | 20.6 | Very low | 23.7 | Very low | 133 Ų | 133 | 144 Ų | 144 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -98.8 | 148 | 162.3 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1974 | G | 22.1 | Very low | 23.5 | Very low | 81 Ų | 81 | 143.5 Ų | 143.5 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | 118.4 | 122.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1975 | G | 24.5 | Very low | 23.3 | Very low | 79 Ų | 79 | 145 Ų | 145 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | 150.5 | 79.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1976 | N | 21.2 | Very low | 23.1 | Very low | 165 Ų | 165 | 141 Ų | 141 | 88% | 0.882 | 83% | 0.825 | S | S | * | * | trans | -69.9 | 130.9 | 165.2 | -75.1 | -6.9 | 0 | 0 | 0 | 109.7 | ||||
| 1977 | N | 25.3 | Very low | 23 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | -163 | 155.5 | 112.6 | -129.7 | -17.4 | 0 | 0 | 0 | 113.3 | |||||
| 1978 | S | 22.3 | Very low | 22.9 | Very low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 83% | 0.828 | S | S | * | * | trans | -84 | 175.2 | 167.8 | -70.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1979 | N | 22.3 | Very low | 22.6 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | 84.6 | 97.4 | 172.3 | -49.7 | -13.1 | 0 | 0 | 0 | 115.7 | ||||
| 1980 | N | 24.6 | Very low | 22.4 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | -165.4 | 149.4 | 97.2 | -97.6 | -26.7 | 0 | 0 | 0 | 112.9 | |||||
| 1981 | N | 21.4 | Very low | 22.4 | Very low | 168 Ų | 168 | 136 Ų | 136 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | -80 | 128.2 | 174.8 | -62.7 | -39.5 | 0 | 0 | 0 | 109.9 | ||||
| 1982 | N | 21.7 | Very low | 22.6 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -152.7 | 120.7 | 164.9 | -154.8 | -9.8 | 0 | 0 | 0 | 109.2 | T1984 | N1982-T1984 VanDerWaalsContact C-N 3.31Å; N1982-T1984 PolarHBondContact O-N 3.12Å | ||
| 1983 | P | 21.5 | Very low | 22.3 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -75 | 80.7 | -173.3 | 30.3 | -36 | 0 | 0 | 0 | 111.6 | V1985 | P1983-V1985 PolarHBondContact O-N 3.29Å; P1983-V1985 VanDerWaalsContact O-N 3.13Å | ||
| 1984 | T | 22.5 | Very low | 22.5 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | trans | -70.2 | 108.9 | 178.9 | 48.8 | 0 | 0 | 0 | 0 | 111.7 | N1982 | N1982-T1984 VanDerWaalsContact C-N 3.31Å; N1982-T1984 PolarHBondContact O-N 3.12Å | ||
| 1985 | V | 22.8 | Very low | 22.6 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 0.2 | 117.6 | 155.7 | -178.2 | 0 | 0 | 0 | 0 | 114.4 | P1983 R1987 | P1983-V1985 PolarHBondContact O-N 3.29Å; P1983-V1985 VanDerWaalsContact O-N 3.13Å; V1985-R1987 PolarHBondContact O-N 3.04Å |
| 1986 | G | 22.1 | Very low | 22.3 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -36.7 | 96.9 | -169 | 0 | 0 | 0 | 0 | 0 | 116 | L1988 | G1986-L1988 PolarHBondContact O-N 3.09Š|
| 1987 | R | 19 | Very low | 22.4 | Very low | 224 Ų | 224 | 129.4 Ų | 129.4 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -61.8 | 117.8 | 170.9 | -162.2 | 179.5 | -166.5 | -165.8 | 5.1 | 108.2 | V1985 S1989 | V1985-R1987 PolarHBondContact O-N 3.04Å; R1987-S1989 PolarHBondContact O-N 3.2Å; R1987-S1989 PolarHBondContact O-OG 3.43Å | ||
| 1988 | L | 21.8 | Very low | 22.3 | Very low | 164 Ų | 164 | 128 Ų | 128 | 86% | 0.859 | 75% | 0.747 | S | S | * | * | trans | -73.3 | 59 | -177.2 | -69.9 | 170.3 | 0 | 0 | 0 | 112.6 | G1986 | G1986-L1988 PolarHBondContact O-N 3.09Š| ||
| 1989 | S | 21.7 | Very low | 22.2 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | trans | -81.2 | 143.7 | 175.1 | 47.3 | 0 | 0 | 0 | 0 | 112.1 | R1987 | R1987-S1989 PolarHBondContact O-N 3.2Å; R1987-S1989 PolarHBondContact O-OG 3.43Å | ||
| 1990 | S | 23 | Very low | 22.4 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 52% | 0.524 | 76% | 0.755 | S | S | . | * | trans | 66.3 | 103.4 | 178.1 | -159.9 | 0 | 0 | 0 | 0 | 116.7 | R1879 G1992 | R1879-S1990 PolarHBondContact NH1-O 3.33Å; S1990-G1992 VanDerWaalsContact C-N 3.26Å; S1990-G1992 PolarHBondContact O-N 3.47Å; S1990-G1992 WeakPolarHBondContact OG-CA 3.43Å; S1990-G1992 PolarHBondContact OG-N 3.3Å; S1990-G1992 VanDerWaalsContact OG-N 3.12Å; S1990-G1992 PolarHBondContact OG-O 2.95Å | ||
| 1991 | W | 23.7 | Very low | 22.3 | Very low | 181 Ų | 181 | 127.7 Ų | 127.7 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -85.8 | 69.2 | 145.6 | -70.1 | -25.1 | 0 | 0 | 0 | 108.9 | L1955 | L1955-W1991 HydrophobicContact CD2-CH2 4.16Å; L1955-W1991 HydrophobicContact CD2-CZ2 4.45Å |
| 1992 | G | 25.3 | Very low | 22.1 | Very low | 43 Ų | 43 | 126 Ų | 126 | 44% | 0.443 | 75% | 0.753 | S | S | . | * | trans | -161.9 | 106.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1990 | S1990-G1992 VanDerWaalsContact C-N 3.26Å; S1990-G1992 PolarHBondContact O-N 3.47Å; S1990-G1992 WeakPolarHBondContact OG-CA 3.43Å; S1990-G1992 PolarHBondContact OG-N 3.3Å; S1990-G1992 VanDerWaalsContact OG-N 3.12Å; S1990-G1992 PolarHBondContact OG-O 2.95Å | ||
| 1993 | S | 20.1 | Very low | 22.2 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -153.9 | 66.9 | 169.5 | -65 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1994 | T | 24.2 | Very low | 22.2 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -129.9 | 143.8 | 160.3 | 45.7 | 0 | 0 | 0 | 0 | 107.7 | ||
| 1995 | G | 23.1 | Very low | 22.1 | Very low | 75 Ų | 75 | 126.2 Ų | 126.2 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | trans | -59.9 | 146.2 | -168 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1997 | G1995-L1997 PolarHBondContact O-N 2.91Š| ||
| 1996 | N | 19.7 | Very low | 22 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -31.6 | 120.7 | 168.2 | 179.1 | 26.5 | 0 | 0 | 0 | 114.9 | ||||
| 1997 | L | 23.1 | Very low | 22 | Very low | 169 Ų | 169 | 125.1 Ų | 125.1 | 89% | 0.885 | 75% | 0.746 | S | S | * | * | trans | -134.6 | 140.9 | 152.3 | -77.6 | 179.9 | 0 | 0 | 0 | 109.2 | G1995 | G1995-L1997 PolarHBondContact O-N 2.91Š| ||
| 1998 | N | 22.1 | Very low | 22.3 | Very low | 130 Ų | 130 | 119.4 Ų | 119.4 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | trans | -73.9 | 141.4 | -158.2 | -61.1 | -42.6 | 0 | 0 | 0 | 115 | ||||
| 1999 | S | 21.2 | Very low | 22.5 | Very low | 107 Ų | 107 | 116.7 Ų | 116.7 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | 29.2 | 107.7 | 134.3 | -176 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 2000 | V | 25.1 | Very low | 22.9 | Very low | 146 Ų | 146 | 113.7 Ų | 113.7 | 89% | 0.885 | 71% | 0.706 | S | S | * | * | trans | -128.7 | 149.8 | 149.6 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 2001 | N | 22.4 | Very low | 23.8 | Very low | 149 Ų | 149 | 115.7 Ų | 115.7 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | trans | -70.3 | 156.2 | -154.8 | -69.1 | -20.7 | 0 | 0 | 0 | 117.2 | A2003 | N2001-A2003 PolarHBondContact O-N 3.04Š| ||
| 2002 | S | 18.7 | Very low | 24.5 | Very low | 132 Ų | 132 | 114.9 Ų | 114.9 | 92% | 0.923 | 72% | 0.716 | S | S | * | * | trans | -66.2 | 113.1 | 173.9 | -59.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2003 | A | 22.7 | Very low | 25.5 | Very low | 83 Ų | 83 | 115.4 Ų | 115.4 | 69% | 0.686 | 71% | 0.708 | S | S | * | * | trans | -151.6 | 160.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 110 | N2001 | N2001-A2003 PolarHBondContact O-N 3.04Š| ||
| 2004 | T | 22.5 | Very low | 27 | Very low | 138 Ų | 138 | 110.8 Ų | 110.8 | 85% | 0.847 | 68% | 0.68 | S | S | * | * | trans | 56.5 | 68.6 | 173.1 | 59.5 | 0 | 0 | 0 | 0 | 117 | S2006 | T2004-S2006 PolarHBondContact O-N 3.16Š| ||
| 2005 | L | 20 | Very low | 28.9 | Very low | 160 Ų | 160 | 107.3 Ų | 107.3 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | trans | -70.3 | 57.8 | 173.1 | -80.8 | 163.4 | 0 | 0 | 0 | 114.2 | ||||
| 2006 | S | 20.6 | Very low | 31.1 | Very low | 103 Ų | 103 | 104.8 Ų | 104.8 | 72% | 0.72 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -148.9 | 34 | 179.4 | -160.7 | 0 | 0 | 0 | 0 | 116.1 | T2004 | T2004-S2006 PolarHBondContact O-N 3.16Š|
| 2007 | S | 22.4 | Very low | 33.6 | Very low | 85 Ų | 85 | 98.3 Ų | 98.3 | 59% | 0.594 | 60% | 0.6 | S | S | * | * | trans | -163.5 | 83.6 | 163.6 | -85.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2008 | S | 25 | Very low | 36.2 | Very low | 103 Ų | 103 | 93 Ų | 93 | 72% | 0.72 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -109.2 | -1.3 | -177.8 | -54.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 2009 | N | 26.3 | Very low | 38.8 | Very low | 107 Ų | 107 | 92.4 Ų | 92.4 | 57% | 0.572 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -103.4 | -17.5 | 177.9 | -71.1 | -4.9 | 0 | 0 | 0 | 113.8 | ||
| 2010 | S | 30.8 | Very low | 41.8 | Very low | 28 Ų | 28 | 87.5 Ų | 87.5 | 20% | 0.196 | 52% | 0.524 | C | S | . | . | S | Bend | trans | -84.8 | -34.3 | -174.2 | 48.3 | 0 | 0 | 0 | 0 | 114 | F2012 L2013 G2014 | S2010-F2012 PolarHBondContact O-N 3.33Å; S2010-L2013 PolarHBondContact O-N 3.33Å; S2010-L2013 VanDerWaalsContact O-N 3.16Å; S2010-G2014 PolarHBondContact O-N 3.28Å |
| 2011 | V | 40.1 | Very low | 44.6 | Very low | 117 Ų | 117 | 80.6 Ų | 80.6 | 71% | 0.709 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.4 | -44.4 | -168.3 | -176.4 | 0 | 0 | 0 | 0 | 113.2 | ||
| 2012 | F | 39.9 | Very low | 47.4 | Very low | 164 Ų | 164 | 74.5 Ų | 74.5 | 72% | 0.719 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -76.7 | -25.8 | 179.5 | -143.7 | -81.5 | 0 | 0 | 0 | 112.8 | S2010 | S2010-F2012 PolarHBondContact O-N 3.33Å |
| 2013 | L | 45.8 | Very low | 50.6 | Low | 54 Ų | 54 | 68.3 Ų | 68.3 | 28% | 0.283 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -80.5 | -28.4 | 175.2 | -148.6 | 77.4 | 0 | 0 | 0 | 111.8 | S2010 G2015 F2016 M2017 | S2010-L2013 PolarHBondContact O-N 3.33Å; S2010-L2013 VanDerWaalsContact O-N 3.16Å; L2013-G2015 PolarHBondContact O-N 3.02Å; L2013-F2016 CarbonylContact O-C 3.57Å; L2013-F2016 WeakPolarHBondContact O-CA 3.34Å; L2013-F2016 WeakPolarHBondContact O-CB 3.28Å; L2013-F2016 PolarHBondContact O-N 3.33Å; L2013-M2017 HydrophobicContact CD2-CG 4Å; L2013-M2017 HydrophobicContact CD2-SD 3.97Å; L2013-M2017 HydrophobicContact CG-CG 3.97Å; L2013-M2017 HydrophobicContact CG-SD 4.4Å; L2013-M2017 WeakPolarHBondContact O-CG 3.39Å; L2013-M2017 PolarHBondContact O-N 3.38Å |
| 2014 | G | 51.6 | Low | 53.6 | Low | 25 Ų | 25 | 64.4 Ų | 64.4 | 26% | 0.258 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -52 | -59.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S2010 F2016 M2017 E2018 | S2010-G2014 PolarHBondContact O-N 3.28Å; G2014-F2016 PolarHBondContact O-N 2.98Å; G2014-F2016 VanDerWaalsContact O-N 3.16Å; G2014-M2017 WeakPolarHBondContact O-CB 3.39Å; G2014-M2017 PolarHBondContact O-N 3.46Å; G2014-E2018 PolarHBondContact O-N 3.45Å |
| 2015 | G | 62.9 | Low | 56.5 | Low | 42 Ų | 42 | 58.3 Ų | 58.3 | 43% | 0.433 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.9 | -10.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L2013 | L2013-G2015 PolarHBondContact O-N 3.02Å |
| 2016 | F | 69.7 | Low | 59.6 | Low | 22 Ų | 22 | 55.4 Ų | 55.4 | 10% | 0.096 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -90.9 | -37.1 | 172.5 | -152.6 | -77.2 | 0 | 0 | 0 | 112.1 | L1925 Q1926 I1929 L2013 G2014 E2018 R2019 L2020 | L1925-F2016 HydrophobicContact CB-CE1 4.17Å; L1925-F2016 HydrophobicContact CB-CZ 3.65Å; L1925-F2016 HydrophobicContact CD2-CD1 4.17Å; L1925-F2016 HydrophobicContact CD2-CE1 3.28Å; L1925-F2016 HydrophobicContact CD2-CZ 3.68Å; L1925-F2016 HydrophobicContact CG-CE1 3.51Å; L1925-F2016 HydrophobicContact CG-CZ 3.5Å; Q1926-F2016 HydrophobicContact CB-CE2 4.44Å; I1929-F2016 HydrophobicContact CD1-CE1 4Å; I1929-F2016 HydrophobicContact CD1-CZ 4.01Å; L2013-F2016 CarbonylContact O-C 3.57Å; L2013-F2016 WeakPolarHBondContact O-CA 3.34Å; L2013-F2016 WeakPolarHBondContact O-CB 3.28Å; L2013-F2016 PolarHBondContact O-N 3.33Å; G2014-F2016 PolarHBondContact O-N 2.98Å; G2014-F2016 VanDerWaalsContact O-N 3.16Å; F2016-E2018 VanDerWaalsContact C-N 3.26Å; F2016-E2018 PolarHBondContact O-N 3.29Å; F2016-R2019 PolarHBondContact O-N 2.93Å; F2016-R2019 VanDerWaalsContact O-N 3.08Å; F2016-L2020 HydrophobicContact CD1-CD1 3.67Å; F2016-L2020 HydrophobicContact CD1-CG 3.74Å; F2016-L2020 HydrophobicContact CE1-CD1 3.93Å; F2016-L2020 HydrophobicContact CE1-CD2 4.09Å; F2016-L2020 HydrophobicContact CE1-CG 3.69Å; F2016-L2020 PolarHBondContact O-N 3.02Å |
| 2017 | M | 72.8 | Confident | 62.9 | Low | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.2 | -38.3 | 173.2 | -74.9 | -66.8 | -77.2 | 0 | 0 | 110.8 | L2013 G2014 R2019 L2020 V2021 L2046 H2049 F2052 T2055 | L2013-M2017 HydrophobicContact CD2-CG 4Å; L2013-M2017 HydrophobicContact CD2-SD 3.97Å; L2013-M2017 HydrophobicContact CG-CG 3.97Å; L2013-M2017 HydrophobicContact CG-SD 4.4Å; L2013-M2017 WeakPolarHBondContact O-CG 3.39Å; L2013-M2017 PolarHBondContact O-N 3.38Å; G2014-M2017 WeakPolarHBondContact O-CB 3.39Å; G2014-M2017 PolarHBondContact O-N 3.46Å; M2017-R2019 VanDerWaalsContact C-N 3.29Å; M2017-R2019 PolarHBondContact O-N 3.14Å; M2017-L2020 PolarHBondContact O-N 3.33Å; M2017-V2021 VanDerWaalsContact O-CB 3.24Å; M2017-V2021 WeakPolarHBondContact O-CB 3.43Å; M2017-V2021 VanDerWaalsContact O-CG2 3.23Å; M2017-V2021 WeakPolarHBondContact O-CG2 3.45Å; M2017-V2021 PolarHBondContact O-N 2.97Å; M2017-L2046 HydrophobicContact CE-CD2 3.9Å; M2017-L2046 HydrophobicContact SD-CD2 3.57Å; M2017-L2046 VanDerWaalsContact SD-CD2 3.57Å; M2017-H2049 HydrophobicContact CE-CB 4.1Å; M2017-F2052 HydrophobicContact CE-CB 3.72Å; M2017-F2052 HydrophobicContact CE-CD2 4.1Å; M2017-F2052 HydrophobicContact CE-CG 4.42Å; M2017-T2055 HydrophobicContact CB-CG2 4.2Å |
| 2018 | E | 77.2 | Confident | 66 | Low | 59 Ų | 59 | 47.5 Ų | 47.5 | 28% | 0.276 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.9 | -44.6 | 174.1 | -63.9 | -175.9 | 138.6 | 0 | 0 | 112 | G2014 F2016 G2022 T2055 R2058 Q2059 | G2014-E2018 PolarHBondContact O-N 3.45Å; F2016-E2018 VanDerWaalsContact C-N 3.26Å; F2016-E2018 PolarHBondContact O-N 3.29Å; E2018-G2022 PolarHBondContact O-N 3.33Å; E2018-G2022 VanDerWaalsContact O-N 3.11Å; E2018-T2055 HydrophobicContact CB-CG2 4.4Å; E2018-T2055 HydrophobicContact CG-CG2 3.86Å; E2018-R2058 IonicContact OE1-CZ 3.48Å; E2018-R2058 IonicContact OE1-NH1 3.6Å; E2018-R2058 PolarHBondContact OE1-NH1 3.04Å; E2018-R2058 IonicContact OE1-NH2 3.33Å; E2018-Q2059 HydrophobicContact CB-CG 4.13Å; E2018-Q2059 HydrophobicContact CG-CG 4Å; E2018-Q2059 PolarHBondContact OE1-NE2 3.12Å |
| 2019 | R | 76.9 | Confident | 68.9 | Low | 116 Ų | 116 | 46.1 Ų | 46.1 | 44% | 0.438 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -72 | -39.6 | 178.4 | -57.9 | 179.2 | -174.3 | 175.3 | -0.3 | 112 | Q1926 I1929 F2016 M2017 G2022 A2023 | Q1926-R2019 VanDerWaalsContact CD-NH1 3.32Å; I1929-R2019 HydrophobicContact CD1-CB 4.29Å; F2016-R2019 PolarHBondContact O-N 2.93Å; F2016-R2019 VanDerWaalsContact O-N 3.08Å; M2017-R2019 VanDerWaalsContact C-N 3.29Å; M2017-R2019 PolarHBondContact O-N 3.14Å; R2019-G2022 PolarHBondContact O-N 2.83Å; R2019-A2023 WeakPolarHBondContact O-CB 3.47Å; R2019-A2023 PolarHBondContact O-N 3.44Å |
| 2020 | L | 83.7 | Confident | 71.9 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.3 | -38.6 | 175.7 | -77.6 | 173.7 | 0 | 0 | 0 | 112.6 | L1925 I1929 V1948 V1952 F2016 M2017 A2023 L2024 L2046 | L1925-L2020 HydrophobicContact CD2-CD2 4.29Å; L1925-L2020 HydrophobicContact CG-CD2 4.48Å; I1929-L2020 HydrophobicContact CD1-CD2 4.12Å; V1948-L2020 HydrophobicContact CG1-CD2 3.92Å; V1952-L2020 HydrophobicContact CG2-CD1 3.75Å; V1952-L2020 HydrophobicContact CG2-CD2 3.85Å; V1952-L2020 HydrophobicContact CG2-CG 4.49Å; F2016-L2020 HydrophobicContact CD1-CD1 3.67Å; F2016-L2020 HydrophobicContact CD1-CG 3.74Å; F2016-L2020 HydrophobicContact CE1-CD1 3.93Å; F2016-L2020 HydrophobicContact CE1-CD2 4.09Å; F2016-L2020 HydrophobicContact CE1-CG 3.69Å; F2016-L2020 PolarHBondContact O-N 3.02Å; M2017-L2020 PolarHBondContact O-N 3.33Å; L2020-A2023 PolarHBondContact O-N 2.71Å; L2020-L2024 WeakPolarHBondContact O-CB 3.33Å; L2020-L2024 PolarHBondContact O-N 2.67Å; L2020-L2046 HydrophobicContact CB-CD1 4.28Å; L2020-L2046 HydrophobicContact CD1-CD2 4.15Å |
| 2021 | V | 84.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 175.5 | 162.4 | 0 | 0 | 0 | 0 | 110.5 | M2017 S2025 F2052 T2055 A2056 Q2059 L2060 | M2017-V2021 VanDerWaalsContact O-CB 3.24Å; M2017-V2021 WeakPolarHBondContact O-CB 3.43Å; M2017-V2021 VanDerWaalsContact O-CG2 3.23Å; M2017-V2021 WeakPolarHBondContact O-CG2 3.45Å; M2017-V2021 PolarHBondContact O-N 2.97Å; V2021-S2025 PolarHBondContact O-N 2.94Å; V2021-S2025 VanDerWaalsContact O-N 3.09Å; V2021-F2052 HydrophobicContact CG2-CD2 4.06Å; V2021-F2052 HydrophobicContact CG2-CE2 4.03Å; V2021-T2055 HydrophobicContact CB-CG2 4.38Å; V2021-T2055 HydrophobicContact CG2-CG2 4.01Å; V2021-A2056 HydrophobicContact CG1-CB 4.46Å; V2021-Q2059 HydrophobicContact CG1-CB 4.05Å; V2021-L2060 HydrophobicContact CG1-CD1 3.74Å; V2021-L2060 HydrophobicContact CG1-CD2 3.92Å; V2021-L2060 HydrophobicContact CG1-CG 3.58Å |
| 2022 | G | 83 | Confident | 76.8 | Confident | 22 Ų | 22 | 39.8 Ų | 39.8 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E2018 R2019 S2025 Q2026 | E2018-G2022 PolarHBondContact O-N 3.33Å; E2018-G2022 VanDerWaalsContact O-N 3.11Å; R2019-G2022 PolarHBondContact O-N 2.83Å; G2022-S2025 PolarHBondContact O-N 3.3Å; G2022-S2025 PolarHBondContact O-OG 3.02Å; G2022-Q2026 PolarHBondContact O-N 3.24Å |
| 2023 | A | 84.4 | Confident | 79 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1929 I1933 R2019 L2020 S2025 Q2026 F2027 | I1929-A2023 HydrophobicContact CG1-CB 4.32Å; I1933-A2023 HydrophobicContact CD1-CB 3.35Å; I1933-A2023 HydrophobicContact CG1-CB 4.5Å; R2019-A2023 WeakPolarHBondContact O-CB 3.47Å; R2019-A2023 PolarHBondContact O-N 3.44Å; L2020-A2023 PolarHBondContact O-N 2.71Å; A2023-S2025 VanDerWaalsContact C-N 3.34Å; A2023-S2025 PolarHBondContact O-N 3.09Å; A2023-Q2026 PolarHBondContact O-N 3.34Å; A2023-Q2026 VanDerWaalsContact O-N 3.17Å; A2023-F2027 HydrophobicContact CB-CE2 4.22Å; A2023-F2027 WeakPolarHBondContact O-CD2 3.47Å; A2023-F2027 PolarHBondContact O-N 2.88Å |
| 2024 | L | 85.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.9 | -47.5 | 177.7 | 171 | 65 | 0 | 0 | 0 | 111.2 | L2020 Q2026 F2027 L2028 G2039 L2042 L2043 L2046 F2052 | L2020-L2024 WeakPolarHBondContact O-CB 3.33Å; L2020-L2024 PolarHBondContact O-N 2.67Å; L2024-Q2026 PolarHBondContact O-N 2.95Å; L2024-F2027 PolarHBondContact O-N 3.4Å; L2024-L2028 HydrophobicContact CD1-CD1 3.88Å; L2024-L2028 HydrophobicContact CD1-CD2 4.49Å; L2024-L2028 HydrophobicContact CD1-CG 3.93Å; L2024-L2028 HydrophobicContact CD2-CD1 4.49Å; L2024-L2028 HydrophobicContact CG-CD1 3.89Å; L2024-L2028 HydrophobicContact CG-CG 4.35Å; L2024-L2028 WeakPolarHBondContact O-CG 3.49Å; L2024-L2028 PolarHBondContact O-N 3.46Å; L2024-G2039 WeakPolarHBondContact CD1-O 3.41Å; L2024-L2042 HydrophobicContact CB-CD2 4.2Å; L2024-L2042 HydrophobicContact CD1-CB 4.27Å; L2024-L2042 HydrophobicContact CD1-CD2 4.07Å; L2024-L2042 HydrophobicContact CD1-CG 4.18Å; L2024-L2043 HydrophobicContact CD1-CB 3.84Å; L2024-L2043 HydrophobicContact CD2-CB 3.99Å; L2024-L2043 HydrophobicContact CD2-CD1 3.92Å; L2024-L2043 HydrophobicContact CD2-CG 4.49Å; L2024-L2046 HydrophobicContact CD2-CD1 4.08Å; L2024-F2052 HydrophobicContact CD2-CE2 4.04Å; L2024-F2052 HydrophobicContact CD2-CZ 4.34Å |
| 2025 | S | 82.9 | Confident | 82.8 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.5 | -39.3 | 179.8 | 75.8 | 0 | 0 | 0 | 0 | 111.6 | V2021 G2022 A2023 T2029 | V2021-S2025 PolarHBondContact O-N 2.94Å; V2021-S2025 VanDerWaalsContact O-N 3.09Å; G2022-S2025 PolarHBondContact O-N 3.3Å; G2022-S2025 PolarHBondContact O-OG 3.02Å; A2023-S2025 VanDerWaalsContact C-N 3.34Å; A2023-S2025 PolarHBondContact O-N 3.09Å; S2025-T2029 WeakPolarHBondContact O-CG2 3.35Å; S2025-T2029 PolarHBondContact O-N 3.41Å; S2025-T2029 PolarHBondContact O-OG1 3.49Å; S2025-T2029 VanDerWaalsContact O-OG1 3.12Å |
| 2026 | Q | 85.8 | Confident | 84.1 | Confident | 99 Ų | 99 | 37.6 Ų | 37.6 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.6 | -43.9 | 177.1 | -68 | 177.9 | 56.4 | 0 | 0 | 112 | I1933 G2022 A2023 L2024 L2028 T2029 D2030 | I1933-Q2026 HydrophobicContact CG2-CB 3.74Å; I1933-Q2026 HydrophobicContact CG2-CG 4.4Å; I1933-Q2026 VanDerWaalsContact CG2-OE1 3.29Å; G2022-Q2026 PolarHBondContact O-N 3.24Å; A2023-Q2026 PolarHBondContact O-N 3.34Å; A2023-Q2026 VanDerWaalsContact O-N 3.17Å; L2024-Q2026 PolarHBondContact O-N 2.95Å; Q2026-L2028 VanDerWaalsContact C-N 3.34Å; Q2026-L2028 PolarHBondContact O-N 2.93Å; Q2026-T2029 WeakPolarHBondContact CA-OG1 3.47Å; Q2026-T2029 CarbonylContact O-C 3.6Å; Q2026-T2029 PolarHBondContact O-N 3.35Å; Q2026-T2029 VanDerWaalsContact O-N 3.11Å; Q2026-T2029 PolarHBondContact O-OG1 2.58Å; Q2026-D2030 PolarHBondContact O-N 2.98Å |
| 2027 | F | 89.5 | Confident | 85.1 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.018 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -36.7 | 175.9 | -65.4 | -43.6 | 0 | 0 | 0 | 113.2 | I1933 T1944 A1945 V1948 A2023 L2024 T2029 D2030 T2035 L2042 | I1933-F2027 HydrophobicContact CD1-CZ 4.48Å; I1933-F2027 HydrophobicContact CG1-CE1 4.13Å; I1933-F2027 HydrophobicContact CG1-CZ 3.82Å; I1933-F2027 HydrophobicContact CG2-CE1 4.31Å; T1944-F2027 HydrophobicContact CG2-CE1 4.45Å; T1944-F2027 HydrophobicContact CG2-CZ 3.97Å; A1945-F2027 HydrophobicContact CB-CD1 3.72Å; A1945-F2027 HydrophobicContact CB-CD2 4.24Å; A1945-F2027 HydrophobicContact CB-CE1 3.73Å; A1945-F2027 HydrophobicContact CB-CE2 4.25Å; A1945-F2027 HydrophobicContact CB-CG 3.99Å; A1945-F2027 HydrophobicContact CB-CZ 4Å; V1948-F2027 HydrophobicContact CB-CE2 4.28Å; V1948-F2027 HydrophobicContact CG1-CE2 4.15Å; V1948-F2027 HydrophobicContact CG2-CE2 4.32Å; V1948-F2027 HydrophobicContact CG2-CZ 4.37Å; A2023-F2027 HydrophobicContact CB-CE2 4.22Å; A2023-F2027 WeakPolarHBondContact O-CD2 3.47Å; A2023-F2027 PolarHBondContact O-N 2.88Å; L2024-F2027 PolarHBondContact O-N 3.4Å; F2027-T2029 VanDerWaalsContact C-N 3.29Å; F2027-T2029 PolarHBondContact O-N 3.41Å; F2027-D2030 PolarHBondContact O-N 2.83Å; F2027-T2035 HydrophobicContact CB-CG2 4.34Å; F2027-T2035 HydrophobicContact CD1-CG2 3.76Å; F2027-T2035 HydrophobicContact CG-CG2 4.43Å; F2027-L2042 HydrophobicContact CD2-CD2 4.17Å; F2027-L2042 HydrophobicContact CE2-CD2 4.47Å |
| 2028 | L | 86.9 | Confident | 85.9 | Confident | 17 Ų | 17 | 40 Ų | 40 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.9 | -28.2 | 174 | -69.4 | 172.4 | 0 | 0 | 0 | 112.6 | L2024 Q2026 R2036 R2040 L2043 V2068 A2071 | L2024-L2028 HydrophobicContact CD1-CD1 3.88Å; L2024-L2028 HydrophobicContact CD1-CD2 4.49Å; L2024-L2028 HydrophobicContact CD1-CG 3.93Å; L2024-L2028 HydrophobicContact CD2-CD1 4.49Å; L2024-L2028 HydrophobicContact CG-CD1 3.89Å; L2024-L2028 HydrophobicContact CG-CG 4.35Å; L2024-L2028 WeakPolarHBondContact O-CG 3.49Å; L2024-L2028 PolarHBondContact O-N 3.46Å; Q2026-L2028 VanDerWaalsContact C-N 3.34Å; Q2026-L2028 PolarHBondContact O-N 2.93Å; L2028-R2036 WeakPolarHBondContact O-CD 3.38Å; L2028-R2036 WeakPolarHBondContact O-CG 3.36Å; L2028-R2040 HydrophobicContact CD2-CB 4.49Å; L2028-R2040 HydrophobicContact CD2-CG 3.72Å; L2028-L2043 HydrophobicContact CD1-CD2 4.19Å; L2028-V2068 HydrophobicContact CD1-CB 4.47Å; L2028-V2068 HydrophobicContact CD1-CG2 3.75Å; L2028-A2071 HydrophobicContact CD1-CB 3.84Å; L2028-A2071 HydrophobicContact CD2-CB 3.78Å; L2028-A2071 HydrophobicContact CG-CB 4.4Å |
| 2029 | T | 87 | Confident | 86.5 | Confident | 75 Ų | 75 | 37.2 Ų | 37.2 | 46% | 0.46 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -92.5 | -2.6 | 175.3 | 58.5 | 0 | 0 | 0 | 0 | 115 | S2025 Q2026 F2027 A2067 | S2025-T2029 WeakPolarHBondContact O-CG2 3.35Å; S2025-T2029 PolarHBondContact O-N 3.41Å; S2025-T2029 PolarHBondContact O-OG1 3.49Å; S2025-T2029 VanDerWaalsContact O-OG1 3.12Å; Q2026-T2029 WeakPolarHBondContact CA-OG1 3.47Å; Q2026-T2029 CarbonylContact O-C 3.6Å; Q2026-T2029 PolarHBondContact O-N 3.35Å; Q2026-T2029 VanDerWaalsContact O-N 3.11Å; Q2026-T2029 PolarHBondContact O-OG1 2.58Å; F2027-T2029 VanDerWaalsContact C-N 3.29Å; F2027-T2029 PolarHBondContact O-N 3.41Å; T2029-A2067 HydrophobicContact CG2-CB 3.86Å |
| 2030 | D | 88.8 | Confident | 87.1 | Confident | 17 Ų | 17 | 33.4 Ų | 33.4 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | trans | -63.5 | 151.8 | -177.4 | -178.5 | -123.4 | 0 | 0 | 0 | 112.3 | R1941 Q2026 F2027 N2032 T2035 R2036 | R1941-D2030 IonicContact CZ-OD2 3.68Å; R1941-D2030 IonicContact NE-OD2 2.67Å; R1941-D2030 PolarHBondContact NE-OD2 2.91Å; R1941-D2030 IonicContact NH2-OD1 3.7Å; R1941-D2030 IonicContact NH2-OD2 2.73Å; R1941-D2030 PolarHBondContact NH2-OD2 3.31Å; Q2026-D2030 PolarHBondContact O-N 2.98Å; F2027-D2030 PolarHBondContact O-N 2.83Å; D2030-N2032 PolarHBondContact O-N 3.14Å; D2030-N2032 WeakPolarHBondContact OD1-CB 3.4Å; D2030-N2032 PolarHBondContact OD1-N 3.09Å; D2030-T2035 HydrophobicContact CB-CG2 3.73Å; D2030-T2035 WeakPolarHBondContact OD1-CB 3.31Å; D2030-T2035 WeakPolarHBondContact OD1-CG2 3.36Å; D2030-T2035 PolarHBondContact OD1-OG1 3Å; D2030-R2036 VanDerWaalsContact O-CD 3.32Å; D2030-R2036 WeakPolarHBondContact O-CD 3.42Å; D2030-R2036 VanDerWaalsContact O-CG 3.32Å; D2030-R2036 WeakPolarHBondContact O-CG 3.2Å; D2030-R2036 PolarHBondContact O-NH1 3.44Å | ||
| 2031 | G | 86.5 | Confident | 87.2 | Confident | 64 Ų | 64 | 37.3 Ų | 37.3 | 66% | 0.66 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -64.6 | -33.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R2036 | G2031-R2036 VanDerWaalsContact C-NH1 3.27Å; G2031-R2036 PolarHBondContact O-NH1 3.23Å |
| 2032 | N | 87 | Confident | 87.4 | Confident | 38 Ų | 38 | 37.3 Ų | 37.3 | 20% | 0.203 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -79.7 | 132.9 | -179 | -178.8 | 9.6 | 0 | 0 | 0 | 111.4 | D2030 E2034 T2035 R2036 | D2030-N2032 PolarHBondContact O-N 3.14Å; D2030-N2032 WeakPolarHBondContact OD1-CB 3.4Å; D2030-N2032 PolarHBondContact OD1-N 3.09Å; N2032-E2034 VanDerWaalsContact C-N 3.29Å; N2032-E2034 PolarHBondContact ND2-OE2 3.46Å; N2032-E2034 PolarHBondContact O-N 3.38Å; N2032-E2034 PolarHBondContact OD1-N 3.01Å; N2032-E2034 VanDerWaalsContact OD1-N 3.08Å; N2032-T2035 WeakPolarHBondContact CB-OG1 3.33Å; N2032-T2035 PolarHBondContact O-N 3.45Å; N2032-R2036 WeakPolarHBondContact O-CG 3.35Å; N2032-R2036 PolarHBondContact O-N 3.27Å; N2032-R2036 VanDerWaalsContact O-N 3.13Å |
| 2033 | Q | 86.2 | Confident | 87.5 | Confident | 120 Ų | 120 | 36.2 Ų | 36.2 | 56% | 0.561 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -62.4 | -35.6 | 177.9 | -53.3 | -167.3 | 8.2 | 0 | 0 | 112.4 | R2036 Y2037 P2084 | Q2033-R2036 PolarHBondContact O-N 3.42Å; Q2033-Y2037 PolarHBondContact O-N 2.9Å; Q2033-P2084 HydrophobicContact CB-CB 4.22Å; Q2033-P2084 HydrophobicContact CB-CG 3.82Å |
| 2034 | E | 86.7 | Confident | 87.4 | Confident | 37 Ų | 37 | 38 Ų | 38 | 17% | 0.173 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.9 | -44.9 | 178.7 | -58.8 | 163.6 | 153.3 | 0 | 0 | 110.7 | L1942 N2032 R2036 Y2037 Y2038 P2084 S2086 | L1942-E2034 HydrophobicContact CD1-CB 3.54Å; L1942-E2034 VanDerWaalsContact CD2-OE2 3.26Å; L1942-E2034 WeakPolarHBondContact CD2-OE2 3.14Å; N2032-E2034 VanDerWaalsContact C-N 3.29Å; N2032-E2034 PolarHBondContact ND2-OE2 3.46Å; N2032-E2034 PolarHBondContact O-N 3.38Å; N2032-E2034 PolarHBondContact OD1-N 3.01Å; N2032-E2034 VanDerWaalsContact OD1-N 3.08Å; E2034-R2036 VanDerWaalsContact C-N 3.27Å; E2034-R2036 PolarHBondContact O-N 3.38Å; E2034-Y2037 WeakPolarHBondContact O-CA 3.48Å; E2034-Y2037 WeakPolarHBondContact O-CB 3.23Å; E2034-Y2037 PolarHBondContact O-N 3.18Å; E2034-Y2038 WeakPolarHBondContact O-CD2 3.25Å; E2034-Y2038 PolarHBondContact O-N 2.69Å; E2034-P2084 HydrophobicContact CG-CG 4.12Å; E2034-S2086 WeakPolarHBondContact OE1-CA 3.17Å; E2034-S2086 WeakPolarHBondContact OE1-CB 3.48Å |
| 2035 | T | 89.8 | Confident | 87.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.3 | -42.7 | 173.2 | -44.6 | 0 | 0 | 0 | 0 | 110.8 | A1945 F2027 D2030 N2032 Y2037 Y2038 G2039 | A1945-T2035 HydrophobicContact CB-CG2 3.88Å; F2027-T2035 HydrophobicContact CB-CG2 4.34Å; F2027-T2035 HydrophobicContact CD1-CG2 3.76Å; F2027-T2035 HydrophobicContact CG-CG2 4.43Å; D2030-T2035 HydrophobicContact CB-CG2 3.73Å; D2030-T2035 WeakPolarHBondContact OD1-CB 3.31Å; D2030-T2035 WeakPolarHBondContact OD1-CG2 3.36Å; D2030-T2035 PolarHBondContact OD1-OG1 3Å; N2032-T2035 WeakPolarHBondContact CB-OG1 3.33Å; N2032-T2035 PolarHBondContact O-N 3.45Å; T2035-Y2037 VanDerWaalsContact C-N 3.33Å; T2035-Y2037 PolarHBondContact O-N 3.29Å; T2035-Y2038 PolarHBondContact O-N 3.47Å; T2035-G2039 PolarHBondContact O-N 2.93Å |
| 2036 | R | 90.2 | Very high | 87.1 | Confident | 81 Ų | 81 | 38.5 Ų | 38.5 | 31% | 0.306 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.5 | -32.5 | 175.2 | -65.4 | -162 | -60.4 | -84.4 | 7.3 | 112.8 | L2028 D2030 G2031 N2032 Q2033 E2034 G2039 R2040 | L2028-R2036 WeakPolarHBondContact O-CD 3.38Å; L2028-R2036 WeakPolarHBondContact O-CG 3.36Å; D2030-R2036 VanDerWaalsContact O-CD 3.32Å; D2030-R2036 WeakPolarHBondContact O-CD 3.42Å; D2030-R2036 VanDerWaalsContact O-CG 3.32Å; D2030-R2036 WeakPolarHBondContact O-CG 3.2Å; D2030-R2036 PolarHBondContact O-NH1 3.44Å; G2031-R2036 VanDerWaalsContact C-NH1 3.27Å; G2031-R2036 PolarHBondContact O-NH1 3.23Å; N2032-R2036 WeakPolarHBondContact O-CG 3.35Å; N2032-R2036 PolarHBondContact O-N 3.27Å; N2032-R2036 VanDerWaalsContact O-N 3.13Å; Q2033-R2036 PolarHBondContact O-N 3.42Å; E2034-R2036 VanDerWaalsContact C-N 3.27Å; E2034-R2036 PolarHBondContact O-N 3.38Å; R2036-G2039 PolarHBondContact O-N 3.25Å; R2036-R2040 WeakPolarHBondContact O-CG 3.32Å; R2036-R2040 PolarHBondContact O-N 3.46Å; R2036-R2040 PolarHBondContact O-NH1 3.34Å |
| 2037 | Y | 91.4 | Very high | 86.7 | Confident | 32 Ų | 32 | 36.6 Ų | 36.6 | 13% | 0.125 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.9 | -48.9 | 172.2 | 163.5 | -92.1 | 0 | 0 | 0 | 111.5 | Q2033 E2034 T2035 G2039 R2040 R2041 V2080 G2081 D2082 L2083 | Q2033-Y2037 PolarHBondContact O-N 2.9Å; E2034-Y2037 WeakPolarHBondContact O-CA 3.48Å; E2034-Y2037 WeakPolarHBondContact O-CB 3.23Å; E2034-Y2037 PolarHBondContact O-N 3.18Å; T2035-Y2037 VanDerWaalsContact C-N 3.33Å; T2035-Y2037 PolarHBondContact O-N 3.29Å; Y2037-G2039 PolarHBondContact O-N 2.99Å; Y2037-R2040 PolarHBondContact O-N 3.11Å; Y2037-R2040 VanDerWaalsContact O-N 3.07Å; Y2037-R2041 WeakPolarHBondContact O-CB 3.5Å; Y2037-R2041 PolarHBondContact O-N 3.31Å; Y2037-V2080 HydrophobicContact CD2-CG1 3.92Å; Y2037-V2080 HydrophobicContact CE2-CG1 3.73Å; Y2037-G2081 VanDerWaalsContact CE2-O 3.29Å; Y2037-G2081 WeakPolarHBondContact CE2-O 3.48Å; Y2037-D2082 WeakPolarHBondContact CD2-O 3.05Å; Y2037-L2083 HydrophobicContact CD1-CB 4.36Å; Y2037-L2083 HydrophobicContact CD1-CD1 3.44Å; Y2037-L2083 VanDerWaalsContact CD1-CD1 3.44Å; Y2037-L2083 HydrophobicContact CD2-CB 4.49Å; Y2037-L2083 HydrophobicContact CE1-CB 4.05Å; Y2037-L2083 HydrophobicContact CE1-CD1 3.63Å; Y2037-L2083 HydrophobicContact CE1-CG 4.41Å; Y2037-L2083 HydrophobicContact CE2-CB 4.17Å; Y2037-L2083 HydrophobicContact CG-CD1 4.09Å |
| 2038 | Y | 89.1 | Confident | 86.1 | Confident | 41 Ų | 41 | 42.2 Ų | 42.2 | 16% | 0.161 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.4 | -31.9 | 174.5 | -70.5 | -71 | 0 | 0 | 0 | 112 | L1942 L1946 E2034 T2035 R2041 L2042 L2083 | L1942-Y2038 HydrophobicContact CD1-CD2 3.77Å; L1942-Y2038 HydrophobicContact CD1-CE2 3.88Å; L1946-Y2038 HydrophobicContact CB-CD1 4.26Å; L1946-Y2038 HydrophobicContact CB-CD2 4.44Å; L1946-Y2038 HydrophobicContact CB-CE1 4.23Å; L1946-Y2038 HydrophobicContact CB-CE2 4.43Å; L1946-Y2038 HydrophobicContact CB-CG 4.38Å; L1946-Y2038 HydrophobicContact CD1-CE1 4.34Å; L1946-Y2038 HydrophobicContact CD1-CE2 4.38Å; L1946-Y2038 HydrophobicContact CG-CD1 4.42Å; L1946-Y2038 HydrophobicContact CG-CE1 3.94Å; E2034-Y2038 WeakPolarHBondContact O-CD2 3.25Å; E2034-Y2038 PolarHBondContact O-N 2.69Å; T2035-Y2038 PolarHBondContact O-N 3.47Å; Y2038-R2041 PolarHBondContact O-N 3.48Å; Y2038-L2042 VanDerWaalsContact O-CB 3.31Å; Y2038-L2042 WeakPolarHBondContact O-CB 3.08Å; Y2038-L2042 PolarHBondContact O-N 2.86Å; Y2038-L2083 HydrophobicContact CE2-CD1 4.21Å |
| 2039 | G | 90.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -49.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L2024 T2035 R2036 Y2037 R2041 L2042 L2043 | L2024-G2039 WeakPolarHBondContact CD1-O 3.41Å; T2035-G2039 PolarHBondContact O-N 2.93Å; R2036-G2039 PolarHBondContact O-N 3.25Å; Y2037-G2039 PolarHBondContact O-N 2.99Å; G2039-R2041 VanDerWaalsContact C-N 3.32Å; G2039-R2041 PolarHBondContact O-N 3.42Å; G2039-L2042 PolarHBondContact O-N 2.85Å; G2039-L2043 WeakPolarHBondContact O-CB 3.44Å; G2039-L2043 PolarHBondContact O-N 3.32Å |
| 2040 | R | 89.4 | Confident | 84.6 | Confident | 36 Ų | 36 | 44.9 Ų | 44.9 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.7 | -33.8 | 176 | -69.6 | -170.9 | -45.4 | -80.8 | 1.5 | 112.7 | L2028 R2036 Y2037 L2043 S2044 A2071 I2075 V2080 | L2028-R2040 HydrophobicContact CD2-CB 4.49Å; L2028-R2040 HydrophobicContact CD2-CG 3.72Å; R2036-R2040 WeakPolarHBondContact O-CG 3.32Å; R2036-R2040 PolarHBondContact O-N 3.46Å; R2036-R2040 PolarHBondContact O-NH1 3.34Å; Y2037-R2040 PolarHBondContact O-N 3.11Å; Y2037-R2040 VanDerWaalsContact O-N 3.07Å; R2040-L2043 PolarHBondContact O-N 2.9Å; R2040-S2044 WeakPolarHBondContact O-CB 3.47Å; R2040-S2044 PolarHBondContact O-N 2.97Å; R2040-A2071 HydrophobicContact CG-CB 4.48Å; R2040-I2075 HydrophobicContact CB-CD1 4.16Å; R2040-I2075 HydrophobicContact CB-CG1 4.46Å; R2040-I2075 WeakPolarHBondContact O-CD1 3.29Å; R2040-V2080 HydrophobicContact CB-CG1 3.97Å; R2040-V2080 VanDerWaalsContact CZ-O 3.23Å; R2040-V2080 PolarHBondContact NE-O 3.38Å; R2040-V2080 PolarHBondContact NH2-O 2.84Å |
| 2041 | R | 86.8 | Confident | 83.6 | Confident | 87 Ų | 87 | 45.6 Ų | 45.6 | 33% | 0.328 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67 | -45.6 | 174.9 | -175.3 | 176.2 | 166.7 | 135.5 | -1.6 | 112 | E1953 Y2037 Y2038 G2039 S2044 T2045 V2080 | E1953-R2041 IonicContact OE1-CZ 3.26Å; E1953-R2041 IonicContact OE1-NE 2.76Å; E1953-R2041 PolarHBondContact OE1-NE 3.14Å; E1953-R2041 IonicContact OE1-NH2 3.09Å; E1953-R2041 PolarHBondContact OE1-NH2 3.35Å; E1953-R2041 IonicContact OE2-CZ 3.7Å; E1953-R2041 IonicContact OE2-NE 2.67Å; E1953-R2041 IonicContact OE2-NH2 3.22Å; E1953-R2041 PolarHBondContact OE2-NH2 3.4Å; Y2037-R2041 WeakPolarHBondContact O-CB 3.5Å; Y2037-R2041 PolarHBondContact O-N 3.31Å; Y2038-R2041 PolarHBondContact O-N 3.48Å; G2039-R2041 VanDerWaalsContact C-N 3.32Å; G2039-R2041 PolarHBondContact O-N 3.42Å; R2041-S2044 PolarHBondContact O-N 2.98Å; R2041-T2045 PolarHBondContact O-N 3.31Å; R2041-T2045 VanDerWaalsContact O-N 3.09Å; R2041-T2045 PolarHBondContact O-OG1 3.39Å; R2041-T2045 VanDerWaalsContact O-OG1 3.08Å; R2041-V2080 HydrophobicContact CB-CG1 4.05Å |
| 2042 | L | 86.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.8 | -45.4 | 171.7 | 175.9 | 64.6 | 0 | 0 | 0 | 111.1 | V1948 V1952 L2024 F2027 Y2038 G2039 S2044 T2045 L2046 | V1948-L2042 HydrophobicContact CG1-CD1 4.19Å; V1948-L2042 HydrophobicContact CG1-CD2 3.76Å; V1952-L2042 HydrophobicContact CB-CD1 3.87Å; V1952-L2042 HydrophobicContact CG1-CD1 3.88Å; V1952-L2042 HydrophobicContact CG2-CD1 3.89Å; L2024-L2042 HydrophobicContact CB-CD2 4.2Å; L2024-L2042 HydrophobicContact CD1-CB 4.27Å; L2024-L2042 HydrophobicContact CD1-CD2 4.07Å; L2024-L2042 HydrophobicContact CD1-CG 4.18Å; F2027-L2042 HydrophobicContact CD2-CD2 4.17Å; F2027-L2042 HydrophobicContact CE2-CD2 4.47Å; Y2038-L2042 VanDerWaalsContact O-CB 3.31Å; Y2038-L2042 WeakPolarHBondContact O-CB 3.08Å; Y2038-L2042 PolarHBondContact O-N 2.86Å; G2039-L2042 PolarHBondContact O-N 2.85Å; L2042-S2044 PolarHBondContact O-N 3.47Å; L2042-T2045 PolarHBondContact O-N 2.95Å; L2042-L2046 HydrophobicContact CD1-CD1 3.94Å; L2042-L2046 HydrophobicContact CD1-CG 4.13Å; L2042-L2046 HydrophobicContact CG-CD1 3.84Å; L2042-L2046 HydrophobicContact CG-CG 4.4Å; L2042-L2046 WeakPolarHBondContact O-CB 3.12Å; L2042-L2046 VanDerWaalsContact O-CG 3.32Å; L2042-L2046 WeakPolarHBondContact O-CG 3.43Å; L2042-L2046 PolarHBondContact O-N 3.39Å |
| 2043 | L | 86 | Confident | 82.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57 | -48.5 | 174 | 171.8 | 58.1 | 0 | 0 | 0 | 111.8 | L2024 L2028 G2039 R2040 T2045 L2046 M2047 F2052 V2068 A2071 I2072 I2075 | L2024-L2043 HydrophobicContact CD1-CB 3.84Å; L2024-L2043 HydrophobicContact CD2-CB 3.99Å; L2024-L2043 HydrophobicContact CD2-CD1 3.92Å; L2024-L2043 HydrophobicContact CD2-CG 4.49Å; L2028-L2043 HydrophobicContact CD1-CD2 4.19Å; G2039-L2043 WeakPolarHBondContact O-CB 3.44Å; G2039-L2043 PolarHBondContact O-N 3.32Å; R2040-L2043 PolarHBondContact O-N 2.9Å; L2043-T2045 PolarHBondContact O-N 3.13Å; L2043-L2046 PolarHBondContact O-N 3.12Å; L2043-L2046 VanDerWaalsContact O-N 3.11Å; L2043-M2047 HydrophobicContact CD1-CG 3.69Å; L2043-M2047 HydrophobicContact CD1-SD 3.76Å; L2043-M2047 HydrophobicContact CG-CG 4.24Å; L2043-M2047 HydrophobicContact CG-SD 3.74Å; L2043-M2047 WeakPolarHBondContact O-CB 3.21Å; L2043-M2047 VanDerWaalsContact O-CG 3.24Å; L2043-M2047 WeakPolarHBondContact O-CG 3.47Å; L2043-M2047 PolarHBondContact O-N 3.34Å; L2043-F2052 HydrophobicContact CD1-CE1 3.86Å; L2043-F2052 HydrophobicContact CD1-CE2 4.22Å; L2043-F2052 HydrophobicContact CD1-CZ 3.38Å; L2043-V2068 HydrophobicContact CD1-CG1 4.41Å; L2043-A2071 HydrophobicContact CD2-CB 3.53Å; L2043-I2072 HydrophobicContact CD1-CD1 4.44Å; L2043-I2072 HydrophobicContact CD1-CG1 3.93Å; L2043-I2072 HydrophobicContact CD2-CG1 4Å; L2043-I2072 HydrophobicContact CG-CG1 4.38Å; L2043-I2075 HydrophobicContact CB-CD1 4.05Å; L2043-I2075 HydrophobicContact CD2-CD1 3.52Å; L2043-I2075 HydrophobicContact CG-CD1 3.64Å |
| 2044 | S | 83 | Confident | 82.1 | Confident | 38 Ų | 38 | 49.9 Ų | 49.9 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.8 | -28.1 | 178.1 | 177.9 | 0 | 0 | 0 | 0 | 113.2 | R2040 R2041 L2042 Q2048 | R2040-S2044 WeakPolarHBondContact O-CB 3.47Å; R2040-S2044 PolarHBondContact O-N 2.97Å; R2041-S2044 PolarHBondContact O-N 2.98Å; L2042-S2044 PolarHBondContact O-N 3.47Å; S2044-Q2048 PolarHBondContact O-NE2 2.9Å |
| 2045 | T | 80.8 | Confident | 81.5 | Confident | 17 Ų | 17 | 48.8 Ų | 48.8 | 10% | 0.104 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -78.1 | -42 | 173 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | V1952 E1953 S1956 R2041 L2042 L2043 Q2048 | V1952-T2045 HydrophobicContact CG1-CG2 3.98Å; E1953-T2045 HydrophobicContact CG-CG2 4.3Å; S1956-T2045 WeakPolarHBondContact OG-CG2 3.45Å; R2041-T2045 PolarHBondContact O-N 3.31Å; R2041-T2045 VanDerWaalsContact O-N 3.09Å; R2041-T2045 PolarHBondContact O-OG1 3.39Å; R2041-T2045 VanDerWaalsContact O-OG1 3.08Å; L2042-T2045 PolarHBondContact O-N 2.95Å; L2043-T2045 PolarHBondContact O-N 3.13Å; T2045-Q2048 WeakPolarHBondContact O-CB 3.44Å; T2045-Q2048 PolarHBondContact O-N 2.71Å |
| 2046 | L | 80.2 | Confident | 80.8 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.9 | -34.1 | 179.4 | -70.8 | 174.5 | 0 | 0 | 0 | 113 | V1952 M2017 L2020 L2024 L2042 L2043 Q2048 H2049 F2052 | V1952-L2046 HydrophobicContact CG1-CD2 3.98Å; V1952-L2046 HydrophobicContact CG1-CG 4.48Å; M2017-L2046 HydrophobicContact CE-CD2 3.9Å; M2017-L2046 HydrophobicContact SD-CD2 3.57Å; M2017-L2046 VanDerWaalsContact SD-CD2 3.57Å; L2020-L2046 HydrophobicContact CB-CD1 4.28Å; L2020-L2046 HydrophobicContact CD1-CD2 4.15Å; L2024-L2046 HydrophobicContact CD2-CD1 4.08Å; L2042-L2046 HydrophobicContact CD1-CD1 3.94Å; L2042-L2046 HydrophobicContact CD1-CG 4.13Å; L2042-L2046 HydrophobicContact CG-CD1 3.84Å; L2042-L2046 HydrophobicContact CG-CG 4.4Å; L2042-L2046 WeakPolarHBondContact O-CB 3.12Å; L2042-L2046 VanDerWaalsContact O-CG 3.32Å; L2042-L2046 WeakPolarHBondContact O-CG 3.43Å; L2042-L2046 PolarHBondContact O-N 3.39Å; L2043-L2046 PolarHBondContact O-N 3.12Å; L2043-L2046 VanDerWaalsContact O-N 3.11Å; L2046-Q2048 PolarHBondContact O-N 3Å; L2046-Q2048 VanDerWaalsContact O-N 3.1Å; L2046-H2049 WeakPolarHBondContact O-CB 3.18Å; L2046-H2049 PolarHBondContact O-N 3.3Å; L2046-F2052 HydrophobicContact CB-CD2 3.73Å; L2046-F2052 HydrophobicContact CB-CE2 4.05Å; L2046-F2052 HydrophobicContact CB-CG 4.29Å; L2046-F2052 WeakPolarHBondContact O-CB 3.39Å |
| 2047 | M | 79.1 | Confident | 80 | Confident | 58 Ų | 58 | 50.3 Ų | 50.3 | 29% | 0.286 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -18.6 | 174.2 | -74.5 | 168 | 70.8 | 0 | 0 | 113.7 | L2043 H2049 F2052 I2072 I2075 H2076 | L2043-M2047 HydrophobicContact CD1-CG 3.69Å; L2043-M2047 HydrophobicContact CD1-SD 3.76Å; L2043-M2047 HydrophobicContact CG-CG 4.24Å; L2043-M2047 HydrophobicContact CG-SD 3.74Å; L2043-M2047 WeakPolarHBondContact O-CB 3.21Å; L2043-M2047 VanDerWaalsContact O-CG 3.24Å; L2043-M2047 WeakPolarHBondContact O-CG 3.47Å; L2043-M2047 PolarHBondContact O-N 3.34Å; M2047-H2049 VanDerWaalsContact C-N 3.26Å; M2047-F2052 HydrophobicContact CG-CD1 4.08Å; M2047-F2052 HydrophobicContact CG-CE1 3.78Å; M2047-I2072 HydrophobicContact CE-CG1 4.25Å; M2047-I2072 HydrophobicContact CE-CG2 3.89Å; M2047-I2072 HydrophobicContact SD-CG1 3.96Å; M2047-I2075 HydrophobicContact SD-CD1 4.34Å; M2047-I2075 HydrophobicContact SD-CG2 4.48Å; M2047-H2076 VanDerWaalsContact CE-NE2 3.31Å; M2047-H2076 WeakPolarHBondContact CE-NE2 3.49Å |
| 2048 | Q | 76.6 | Confident | 79.2 | Confident | 122 Ų | 122 | 57.1 Ų | 57.1 | 57% | 0.57 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -3.7 | 174.6 | -62.8 | 169.9 | 61.2 | 0 | 0 | 112.8 | S2044 T2045 L2046 | S2044-Q2048 PolarHBondContact O-NE2 2.9Å; T2045-Q2048 WeakPolarHBondContact O-CB 3.44Å; T2045-Q2048 PolarHBondContact O-N 2.71Å; L2046-Q2048 PolarHBondContact O-N 3Å; L2046-Q2048 VanDerWaalsContact O-N 3.1Å |
| 2049 | H | 71.6 | Confident | 78.3 | Confident | 45 Ų | 45 | 59 Ų | 59 | 21% | 0.208 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -98.9 | 127.1 | 179.3 | -167.2 | -87 | 0 | 0 | 0 | 111.3 | M2017 L2046 M2047 D2051 F2052 | M2017-H2049 HydrophobicContact CE-CB 4.1Å; L2046-H2049 WeakPolarHBondContact O-CB 3.18Å; L2046-H2049 PolarHBondContact O-N 3.3Å; M2047-H2049 VanDerWaalsContact C-N 3.26Å; H2049-D2051 VanDerWaalsContact C-N 3.27Å; H2049-D2051 IonicContact CE1-OD2 2.6Å; H2049-D2051 PolarHBondContact CE1-OD2 2.9Å; H2049-D2051 PolarHBondContact ND1-N 3.39Å; H2049-D2051 PolarHBondContact O-N 2.93Å; H2049-D2051 VanDerWaalsContact O-N 3.16Å; H2049-F2052 HydrophobicContact CB-CB 4.45Å; H2049-F2052 VanDerWaalsContact O-CB 3.29Å; H2049-F2052 WeakPolarHBondContact O-CB 3.39Å; H2049-F2052 PolarHBondContact O-N 3.23Å |
| 2050 | P | 69.4 | Low | 77.6 | Confident | 103 Ų | 103 | 59.5 Ų | 59.5 | 67% | 0.669 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -29.5 | -171.4 | 24.4 | -35.1 | 0 | 0 | 0 | 114.1 | ||
| 2051 | D | 68.5 | Low | 76.9 | Confident | 33 Ų | 33 | 63.2 Ų | 63.2 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -5.2 | 177.8 | -59.6 | -57.7 | 0 | 0 | 0 | 114.1 | H2049 E2053 R2054 T2055 | H2049-D2051 VanDerWaalsContact C-N 3.27Å; H2049-D2051 IonicContact CE1-OD2 2.6Å; H2049-D2051 PolarHBondContact CE1-OD2 2.9Å; H2049-D2051 PolarHBondContact ND1-N 3.39Å; H2049-D2051 PolarHBondContact O-N 2.93Å; H2049-D2051 VanDerWaalsContact O-N 3.16Å; D2051-E2053 PolarHBondContact O-N 2.95Å; D2051-R2054 PolarHBondContact O-N 2.73Å; D2051-R2054 IonicContact OD1-CZ 3.91Å; D2051-R2054 IonicContact OD1-NH1 2.84Å; D2051-R2054 PolarHBondContact OD1-NH1 2.67Å; D2051-T2055 PolarHBondContact O-N 3.38Å; D2051-T2055 PolarHBondContact O-OG1 2.99Å; D2051-T2055 VanDerWaalsContact O-OG1 3.1Å |
| 2052 | F | 79.6 | Confident | 76.5 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 4% | 0.044 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.4 | -48.7 | -177.2 | 167.3 | -104.7 | 0 | 0 | 0 | 112.4 | M2017 V2021 L2024 L2043 L2046 M2047 H2049 R2054 T2055 A2056 V2068 I2072 | M2017-F2052 HydrophobicContact CE-CB 3.72Å; M2017-F2052 HydrophobicContact CE-CD2 4.1Å; M2017-F2052 HydrophobicContact CE-CG 4.42Å; V2021-F2052 HydrophobicContact CG2-CD2 4.06Å; V2021-F2052 HydrophobicContact CG2-CE2 4.03Å; L2024-F2052 HydrophobicContact CD2-CE2 4.04Å; L2024-F2052 HydrophobicContact CD2-CZ 4.34Å; L2043-F2052 HydrophobicContact CD1-CE1 3.86Å; L2043-F2052 HydrophobicContact CD1-CE2 4.22Å; L2043-F2052 HydrophobicContact CD1-CZ 3.38Å; L2046-F2052 HydrophobicContact CB-CD2 3.73Å; L2046-F2052 HydrophobicContact CB-CE2 4.05Å; L2046-F2052 HydrophobicContact CB-CG 4.29Å; L2046-F2052 WeakPolarHBondContact O-CB 3.39Å; M2047-F2052 HydrophobicContact CG-CD1 4.08Å; M2047-F2052 HydrophobicContact CG-CE1 3.78Å; H2049-F2052 HydrophobicContact CB-CB 4.45Å; H2049-F2052 VanDerWaalsContact O-CB 3.29Å; H2049-F2052 WeakPolarHBondContact O-CB 3.39Å; H2049-F2052 PolarHBondContact O-N 3.23Å; F2052-R2054 PolarHBondContact O-N 3.49Å; F2052-T2055 PolarHBondContact O-N 2.85Å; F2052-A2056 HydrophobicContact CE2-CB 4.26Å; F2052-A2056 HydrophobicContact CZ-CB 4.16Å; F2052-A2056 VanDerWaalsContact O-CB 3.25Å; F2052-A2056 WeakPolarHBondContact O-CB 3.39Å; F2052-A2056 PolarHBondContact O-N 3.03Å; F2052-V2068 HydrophobicContact CZ-CG1 4.23Å; F2052-I2072 HydrophobicContact CE1-CD1 4.29Å |
| 2053 | E | 73.8 | Confident | 76 | Confident | 129 Ų | 129 | 69.3 Ų | 69.3 | 60% | 0.603 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.9 | -41.9 | -177 | 178.5 | 155.3 | -155.1 | 0 | 0 | 111.8 | D2051 T2055 A2056 Q2057 | D2051-E2053 PolarHBondContact O-N 2.95Å; E2053-T2055 VanDerWaalsContact C-N 3.35Å; E2053-T2055 PolarHBondContact O-N 3.29Å; E2053-A2056 PolarHBondContact O-N 3.05Å; E2053-Q2057 HydrophobicContact CG-CG 4.33Å; E2053-Q2057 WeakPolarHBondContact O-CB 3.17Å; E2053-Q2057 VanDerWaalsContact O-CG 3.27Å; E2053-Q2057 WeakPolarHBondContact O-CG 3.27Å; E2053-Q2057 PolarHBondContact O-N 2.91Å; E2053-Q2057 PolarHBondContact OE1-NE2 3.17Å |
| 2054 | R | 74.9 | Confident | 75.6 | Confident | 172 Ų | 172 | 71.3 Ų | 71.3 | 65% | 0.649 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.7 | -46.2 | 173.4 | -63.9 | 174.1 | 176.1 | 157 | -5.7 | 111.6 | D2051 F2052 R2058 | D2051-R2054 PolarHBondContact O-N 2.73Å; D2051-R2054 IonicContact OD1-CZ 3.91Å; D2051-R2054 IonicContact OD1-NH1 2.84Å; D2051-R2054 PolarHBondContact OD1-NH1 2.67Å; F2052-R2054 PolarHBondContact O-N 3.49Å; R2054-R2058 VanDerWaalsContact O-CB 3.31Å; R2054-R2058 WeakPolarHBondContact O-CB 3.15Å; R2054-R2058 PolarHBondContact O-N 3.28Å; R2054-R2058 VanDerWaalsContact O-N 3.15Å |
| 2055 | T | 74.1 | Confident | 75.4 | Confident | 15 Ų | 15 | 73.1 Ų | 73.1 | 9% | 0.092 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.8 | -38.5 | 179.5 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | M2017 E2018 V2021 D2051 F2052 E2053 R2058 Q2059 | M2017-T2055 HydrophobicContact CB-CG2 4.2Å; E2018-T2055 HydrophobicContact CB-CG2 4.4Å; E2018-T2055 HydrophobicContact CG-CG2 3.86Å; V2021-T2055 HydrophobicContact CB-CG2 4.38Å; V2021-T2055 HydrophobicContact CG2-CG2 4.01Å; D2051-T2055 PolarHBondContact O-N 3.38Å; D2051-T2055 PolarHBondContact O-OG1 2.99Å; D2051-T2055 VanDerWaalsContact O-OG1 3.1Å; F2052-T2055 PolarHBondContact O-N 2.85Å; E2053-T2055 VanDerWaalsContact C-N 3.35Å; E2053-T2055 PolarHBondContact O-N 3.29Å; T2055-R2058 PolarHBondContact O-N 2.78Å; T2055-Q2059 HydrophobicContact CG2-CG 3.97Å; T2055-Q2059 VanDerWaalsContact O-CB 3.28Å; T2055-Q2059 WeakPolarHBondContact O-CB 3.24Å; T2055-Q2059 WeakPolarHBondContact O-CG 3.45Å; T2055-Q2059 PolarHBondContact O-N 3.1Å |
| 2056 | A | 76 | Confident | 75.4 | Confident | 5 Ų | 5 | 80.2 Ų | 80.2 | 4% | 0.041 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V2021 F2052 E2053 R2058 L2060 | V2021-A2056 HydrophobicContact CG1-CB 4.46Å; F2052-A2056 HydrophobicContact CE2-CB 4.26Å; F2052-A2056 HydrophobicContact CZ-CB 4.16Å; F2052-A2056 VanDerWaalsContact O-CB 3.25Å; F2052-A2056 WeakPolarHBondContact O-CB 3.39Å; F2052-A2056 PolarHBondContact O-N 3.03Å; E2053-A2056 PolarHBondContact O-N 3.05Å; A2056-R2058 VanDerWaalsContact C-N 3.32Å; A2056-R2058 PolarHBondContact O-N 3.3Å; A2056-L2060 WeakPolarHBondContact O-CB 3.49Å; A2056-L2060 PolarHBondContact O-N 3.01Å; A2056-L2060 VanDerWaalsContact O-N 3.12Å |
| 2057 | Q | 72 | Confident | 75.4 | Confident | 108 Ų | 108 | 80.8 Ų | 80.8 | 51% | 0.505 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.2 | -31.1 | 175.6 | -67.4 | 175.4 | 9.6 | 0 | 0 | 112.6 | E2053 F2065 | E2053-Q2057 HydrophobicContact CG-CG 4.33Å; E2053-Q2057 WeakPolarHBondContact O-CB 3.17Å; E2053-Q2057 VanDerWaalsContact O-CG 3.27Å; E2053-Q2057 WeakPolarHBondContact O-CG 3.27Å; E2053-Q2057 PolarHBondContact O-N 2.91Å; E2053-Q2057 PolarHBondContact OE1-NE2 3.17Å; Q2057-F2065 HydrophobicContact CB-CE2 4.49Å; Q2057-F2065 HydrophobicContact CG-CE2 3.98Å; Q2057-F2065 HydrophobicContact CG-CZ 4.32Å |
| 2058 | R | 76.1 | Confident | 75.5 | Confident | 174 Ų | 174 | 78.2 Ų | 78.2 | 66% | 0.657 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -84.4 | -31.8 | 179.7 | 179.5 | 164.5 | 163.4 | -88.7 | -6.5 | 114.5 | E2018 R2054 T2055 A2056 | E2018-R2058 IonicContact OE1-CZ 3.48Å; E2018-R2058 IonicContact OE1-NH1 3.6Å; E2018-R2058 PolarHBondContact OE1-NH1 3.04Å; E2018-R2058 IonicContact OE1-NH2 3.33Å; R2054-R2058 VanDerWaalsContact O-CB 3.31Å; R2054-R2058 WeakPolarHBondContact O-CB 3.15Å; R2054-R2058 PolarHBondContact O-N 3.28Å; R2054-R2058 VanDerWaalsContact O-N 3.15Å; T2055-R2058 PolarHBondContact O-N 2.78Å; A2056-R2058 VanDerWaalsContact C-N 3.32Å; A2056-R2058 PolarHBondContact O-N 3.3Å |
| 2059 | Q | 70.2 | Confident | 75.8 | Confident | 80 Ų | 80 | 78.1 Ų | 78.1 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -101.4 | -20.2 | -172.9 | -69.4 | -69.4 | -11 | 0 | 0 | 114.3 | E2018 V2021 T2055 | E2018-Q2059 HydrophobicContact CB-CG 4.13Å; E2018-Q2059 HydrophobicContact CG-CG 4Å; E2018-Q2059 PolarHBondContact OE1-NE2 3.12Å; V2021-Q2059 HydrophobicContact CG1-CB 4.05Å; T2055-Q2059 HydrophobicContact CG2-CG 3.97Å; T2055-Q2059 VanDerWaalsContact O-CB 3.28Å; T2055-Q2059 WeakPolarHBondContact O-CB 3.24Å; T2055-Q2059 WeakPolarHBondContact O-CG 3.45Å; T2055-Q2059 PolarHBondContact O-N 3.1Å |
| 2060 | L | 75.4 | Confident | 76.3 | Confident | 11 Ų | 11 | 79.9 Ų | 79.9 | 6% | 0.058 | 39% | 0.391 | C | S | . | . | trans | -114.7 | 131.2 | -179.2 | -52.7 | -179.5 | 0 | 0 | 0 | 110.8 | V2021 A2056 P2064 F2065 V2068 | V2021-L2060 HydrophobicContact CG1-CD1 3.74Å; V2021-L2060 HydrophobicContact CG1-CD2 3.92Å; V2021-L2060 HydrophobicContact CG1-CG 3.58Å; A2056-L2060 WeakPolarHBondContact O-CB 3.49Å; A2056-L2060 PolarHBondContact O-N 3.01Å; A2056-L2060 VanDerWaalsContact O-N 3.12Å; L2060-P2064 HydrophobicContact CD2-CB 4.28Å; L2060-F2065 HydrophobicContact CB-CB 3.89Å; L2060-F2065 HydrophobicContact CB-CD2 4.25Å; L2060-V2068 HydrophobicContact CD1-CB 4.24Å; L2060-V2068 HydrophobicContact CD1-CG2 3.55Å | ||
| 2061 | T | 74.3 | Confident | 76.9 | Confident | 115 Ų | 115 | 75.2 Ų | 75.2 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | trans | -132.5 | 152.9 | 173.8 | 59.7 | 0 | 0 | 0 | 0 | 110.5 | Q2063 P2064 | T2061-Q2063 PolarHBondContact O-N 2.97Å; T2061-P2064 VanDerWaalsContact O-CD 3.25Å; T2061-P2064 WeakPolarHBondContact O-CD 3.45Å; T2061-P2064 VanDerWaalsContact O-CG 3.31Å; T2061-P2064 WeakPolarHBondContact O-CG 3.27Å | ||
| 2062 | G | 78.5 | Confident | 77.6 | Confident | 59 Ų | 59 | 75.3 Ų | 75.3 | 61% | 0.608 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 63.6 | -132.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | F2065 R2066 | G2062-F2065 PolarHBondContact O-N 2.81Å; G2062-R2066 PolarHBondContact O-N 3.31Å |
| 2063 | Q | 75.5 | Confident | 77.7 | Confident | 156 Ų | 156 | 77.9 Ų | 77.9 | 73% | 0.729 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -55.2 | -49.8 | -174.1 | -172.1 | -179.5 | 10.9 | 0 | 0 | 114.9 | T2061 F2065 R2066 A2067 | T2061-Q2063 PolarHBondContact O-N 2.97Å; Q2063-F2065 VanDerWaalsContact C-N 3.34Å; Q2063-F2065 PolarHBondContact O-N 2.88Å; Q2063-R2066 PolarHBondContact O-N 3.46Å; Q2063-A2067 WeakPolarHBondContact O-CB 3.45Å; Q2063-A2067 PolarHBondContact O-N 2.86Å |
| 2064 | P | 77.8 | Confident | 77.9 | Confident | 41 Ų | 41 | 76.2 Ų | 76.2 | 27% | 0.266 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.7 | -34.7 | 179.6 | 22.5 | -34.6 | 0 | 0 | 0 | 113.5 | L2060 T2061 A2067 V2068 | L2060-P2064 HydrophobicContact CD2-CB 4.28Å; T2061-P2064 VanDerWaalsContact O-CD 3.25Å; T2061-P2064 WeakPolarHBondContact O-CD 3.45Å; T2061-P2064 VanDerWaalsContact O-CG 3.31Å; T2061-P2064 WeakPolarHBondContact O-CG 3.27Å; P2064-A2067 PolarHBondContact O-N 2.86Å; P2064-V2068 PolarHBondContact O-N 2.88Å |
| 2065 | F | 78.4 | Confident | 78.2 | Confident | 76 Ų | 76 | 68.9 Ų | 68.9 | 33% | 0.333 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 174 | -177.3 | -100.5 | 0 | 0 | 0 | 111.2 | Q2057 L2060 G2062 Q2063 A2067 V2068 K2069 | Q2057-F2065 HydrophobicContact CB-CE2 4.49Å; Q2057-F2065 HydrophobicContact CG-CE2 3.98Å; Q2057-F2065 HydrophobicContact CG-CZ 4.32Å; L2060-F2065 HydrophobicContact CB-CB 3.89Å; L2060-F2065 HydrophobicContact CB-CD2 4.25Å; G2062-F2065 PolarHBondContact O-N 2.81Å; Q2063-F2065 VanDerWaalsContact C-N 3.34Å; Q2063-F2065 PolarHBondContact O-N 2.88Å; F2065-A2067 VanDerWaalsContact C-N 3.35Å; F2065-A2067 PolarHBondContact O-N 3.02Å; F2065-V2068 PolarHBondContact O-N 3.16Å; F2065-K2069 PolarHBondContact O-N 3.11Å |
| 2066 | R | 81.3 | Confident | 78.4 | Confident | 166 Ų | 166 | 74.4 Ų | 74.4 | 63% | 0.626 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.3 | -43 | 174 | -179.4 | 176 | 170.7 | 162.4 | 4 | 111.9 | G2062 Q2063 K2069 E2070 | G2062-R2066 PolarHBondContact O-N 3.31Å; Q2063-R2066 PolarHBondContact O-N 3.46Å; R2066-K2069 PolarHBondContact O-N 3.18Å; R2066-E2070 HydrophobicContact CG-CG 4.35Å; R2066-E2070 IonicContact CZ-OE1 3.63Å; R2066-E2070 IonicContact NE-OE1 2.95Å; R2066-E2070 PolarHBondContact NE-OE1 3.28Å; R2066-E2070 IonicContact NH2-OE1 2.69Å; R2066-E2070 PolarHBondContact NH2-OE1 3.29Å; R2066-E2070 WeakPolarHBondContact O-CB 3.35Å; R2066-E2070 WeakPolarHBondContact O-CG 3.46Å; R2066-E2070 PolarHBondContact O-N 3.41Å |
| 2067 | A | 80.5 | Confident | 78.3 | Confident | 19 Ų | 19 | 81.3 Ų | 81.3 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.8 | -38 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T2029 Q2063 P2064 F2065 A2071 | T2029-A2067 HydrophobicContact CG2-CB 3.86Å; Q2063-A2067 WeakPolarHBondContact O-CB 3.45Å; Q2063-A2067 PolarHBondContact O-N 2.86Å; P2064-A2067 PolarHBondContact O-N 2.86Å; F2065-A2067 VanDerWaalsContact C-N 3.35Å; F2065-A2067 PolarHBondContact O-N 3.02Å; A2067-A2071 VanDerWaalsContact O-CB 3.25Å; A2067-A2071 WeakPolarHBondContact O-CB 3.32Å; A2067-A2071 PolarHBondContact O-N 2.78Å |
| 2068 | V | 81.9 | Confident | 78.4 | Confident | 3 Ų | 3 | 84.1 Ų | 84.1 | 2% | 0.018 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 171.1 | 166.7 | 0 | 0 | 0 | 0 | 111 | L2028 L2043 F2052 L2060 P2064 F2065 A2071 I2072 | L2028-V2068 HydrophobicContact CD1-CB 4.47Å; L2028-V2068 HydrophobicContact CD1-CG2 3.75Å; L2043-V2068 HydrophobicContact CD1-CG1 4.41Å; F2052-V2068 HydrophobicContact CZ-CG1 4.23Å; L2060-V2068 HydrophobicContact CD1-CB 4.24Å; L2060-V2068 HydrophobicContact CD1-CG2 3.55Å; P2064-V2068 PolarHBondContact O-N 2.88Å; F2065-V2068 PolarHBondContact O-N 3.16Å; V2068-A2071 PolarHBondContact O-N 2.74Å; V2068-I2072 HydrophobicContact CG1-CD1 3.85Å; V2068-I2072 HydrophobicContact CG1-CG1 4.39Å; V2068-I2072 WeakPolarHBondContact O-CG1 3.5Å; V2068-I2072 PolarHBondContact O-N 3.3Å |
| 2069 | K | 81.8 | Confident | 78.3 | Confident | 120 Ų | 120 | 77.6 Ų | 77.6 | 52% | 0.522 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.2 | -48.9 | 177.5 | -172.6 | 176.3 | 178.9 | 178.3 | 0 | 112.3 | F2065 R2066 A2071 I2072 D2073 | F2065-K2069 PolarHBondContact O-N 3.11Å; R2066-K2069 PolarHBondContact O-N 3.18Å; K2069-A2071 PolarHBondContact O-N 3.48Å; K2069-I2072 WeakPolarHBondContact O-CB 3.49Å; K2069-I2072 PolarHBondContact O-N 2.86Å; K2069-D2073 PolarHBondContact O-N 3.01Å |
| 2070 | E | 83 | Confident | 78.5 | Confident | 83 Ų | 83 | 75.2 Ų | 75.2 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -27 | 177 | -72.1 | 176.1 | 173.7 | 0 | 0 | 112.3 | R2066 Q2074 | R2066-E2070 HydrophobicContact CG-CG 4.35Å; R2066-E2070 IonicContact CZ-OE1 3.63Å; R2066-E2070 IonicContact NE-OE1 2.95Å; R2066-E2070 PolarHBondContact NE-OE1 3.28Å; R2066-E2070 IonicContact NH2-OE1 2.69Å; R2066-E2070 PolarHBondContact NH2-OE1 3.29Å; R2066-E2070 WeakPolarHBondContact O-CB 3.35Å; R2066-E2070 WeakPolarHBondContact O-CG 3.46Å; R2066-E2070 PolarHBondContact O-N 3.41Å; E2070-Q2074 VanDerWaalsContact O-CG 3.27Å; E2070-Q2074 WeakPolarHBondContact O-CG 3.38Å; E2070-Q2074 PolarHBondContact O-N 2.9Å; E2070-Q2074 VanDerWaalsContact O-N 3.14Å; E2070-Q2074 PolarHBondContact O-NE2 2.94Å |
| 2071 | A | 82 | Confident | 78.1 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 3% | 0.033 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -79.1 | -34.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L2028 R2040 L2043 A2067 V2068 K2069 Q2074 I2075 | L2028-A2071 HydrophobicContact CD1-CB 3.84Å; L2028-A2071 HydrophobicContact CD2-CB 3.78Å; L2028-A2071 HydrophobicContact CG-CB 4.4Å; R2040-A2071 HydrophobicContact CG-CB 4.48Å; L2043-A2071 HydrophobicContact CD2-CB 3.53Å; A2067-A2071 VanDerWaalsContact O-CB 3.25Å; A2067-A2071 WeakPolarHBondContact O-CB 3.32Å; A2067-A2071 PolarHBondContact O-N 2.78Å; V2068-A2071 PolarHBondContact O-N 2.74Å; K2069-A2071 PolarHBondContact O-N 3.48Å; A2071-Q2074 PolarHBondContact O-N 3.31Å; A2071-I2075 VanDerWaalsContact O-CG1 3.27Å; A2071-I2075 WeakPolarHBondContact O-CG1 3.42Å; A2071-I2075 PolarHBondContact O-N 2.81Å |
| 2072 | I | 82.3 | Confident | 77.7 | Confident | 36 Ų | 36 | 78 Ų | 78 | 19% | 0.185 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 170 | -71 | 167.6 | 0 | 0 | 0 | 109.6 | L2043 M2047 F2052 V2068 K2069 Q2074 I2075 H2076 | L2043-I2072 HydrophobicContact CD1-CD1 4.44Å; L2043-I2072 HydrophobicContact CD1-CG1 3.93Å; L2043-I2072 HydrophobicContact CD2-CG1 4Å; L2043-I2072 HydrophobicContact CG-CG1 4.38Å; M2047-I2072 HydrophobicContact CE-CG1 4.25Å; M2047-I2072 HydrophobicContact CE-CG2 3.89Å; M2047-I2072 HydrophobicContact SD-CG1 3.96Å; F2052-I2072 HydrophobicContact CE1-CD1 4.29Å; V2068-I2072 HydrophobicContact CG1-CD1 3.85Å; V2068-I2072 HydrophobicContact CG1-CG1 4.39Å; V2068-I2072 WeakPolarHBondContact O-CG1 3.5Å; V2068-I2072 PolarHBondContact O-N 3.3Å; K2069-I2072 WeakPolarHBondContact O-CB 3.49Å; K2069-I2072 PolarHBondContact O-N 2.86Å; I2072-Q2074 VanDerWaalsContact C-N 3.31Å; I2072-Q2074 PolarHBondContact O-N 3.23Å; I2072-I2075 PolarHBondContact O-N 2.73Å; I2072-H2076 WeakPolarHBondContact CG2-CE1 3.35Å; I2072-H2076 PolarHBondContact O-N 3.06Å |
| 2073 | D | 81.4 | Confident | 77.4 | Confident | 64 Ų | 64 | 79 Ų | 79 | 34% | 0.342 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 178.3 | -66 | -31.9 | 0 | 0 | 0 | 111.4 | K2069 H2076 Q2077 | K2069-D2073 PolarHBondContact O-N 3.01Å; D2073-H2076 PolarHBondContact O-N 3.07Å; D2073-Q2077 WeakPolarHBondContact O-CB 3.03Å; D2073-Q2077 VanDerWaalsContact O-CG 3.24Å; D2073-Q2077 WeakPolarHBondContact O-CG 3.42Å; D2073-Q2077 PolarHBondContact O-N 3.35Å |
| 2074 | Q | 78.9 | Confident | 76.8 | Confident | 94 Ų | 94 | 72.6 Ų | 72.6 | 44% | 0.439 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 170.2 | -80.2 | 165.6 | 71.5 | 0 | 0 | 112.6 | E2070 A2071 I2072 Q2077 K2078 | E2070-Q2074 VanDerWaalsContact O-CG 3.27Å; E2070-Q2074 WeakPolarHBondContact O-CG 3.38Å; E2070-Q2074 PolarHBondContact O-N 2.9Å; E2070-Q2074 VanDerWaalsContact O-N 3.14Å; E2070-Q2074 PolarHBondContact O-NE2 2.94Å; A2071-Q2074 PolarHBondContact O-N 3.31Å; I2072-Q2074 VanDerWaalsContact C-N 3.31Å; I2072-Q2074 PolarHBondContact O-N 3.23Å; Q2074-Q2077 PolarHBondContact O-N 3.47Å; Q2074-K2078 PolarHBondContact O-N 3.05Å |
| 2075 | I | 80.8 | Confident | 75 | Confident | 17 Ų | 17 | 75.9 Ų | 75.9 | 9% | 0.087 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 178.9 | -71.1 | 165.3 | 0 | 0 | 0 | 111.7 | R2040 L2043 M2047 A2071 I2072 G2079 | R2040-I2075 HydrophobicContact CB-CD1 4.16Å; R2040-I2075 HydrophobicContact CB-CG1 4.46Å; R2040-I2075 WeakPolarHBondContact O-CD1 3.29Å; L2043-I2075 HydrophobicContact CB-CD1 4.05Å; L2043-I2075 HydrophobicContact CD2-CD1 3.52Å; L2043-I2075 HydrophobicContact CG-CD1 3.64Å; M2047-I2075 HydrophobicContact SD-CD1 4.34Å; M2047-I2075 HydrophobicContact SD-CG2 4.48Å; A2071-I2075 VanDerWaalsContact O-CG1 3.27Å; A2071-I2075 WeakPolarHBondContact O-CG1 3.42Å; A2071-I2075 PolarHBondContact O-N 2.81Å; I2072-I2075 PolarHBondContact O-N 2.73Å; I2075-G2079 WeakPolarHBondContact CA-O 3.49Å; I2075-G2079 WeakPolarHBondContact O-CA 3.04Å; I2075-G2079 PolarHBondContact O-N 3.47Å |
| 2076 | H | 77.9 | Confident | 73 | Confident | 132 Ų | 132 | 75.9 Ų | 75.9 | 61% | 0.611 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -69.8 | -35.3 | 174.6 | -66.2 | 159.5 | 0 | 0 | 0 | 113 | M2047 I2072 D2073 | M2047-H2076 VanDerWaalsContact CE-NE2 3.31Å; M2047-H2076 WeakPolarHBondContact CE-NE2 3.49Å; I2072-H2076 WeakPolarHBondContact CG2-CE1 3.35Å; I2072-H2076 PolarHBondContact O-N 3.06Å; D2073-H2076 PolarHBondContact O-N 3.07Å |
| 2077 | Q | 74.5 | Confident | 70.8 | Confident | 150 Ų | 150 | 73.1 Ų | 73.1 | 70% | 0.701 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -82.5 | -30.8 | -179.1 | -71.1 | 174.2 | 23.5 | 0 | 0 | 114.5 | D2073 Q2074 | D2073-Q2077 WeakPolarHBondContact O-CB 3.03Å; D2073-Q2077 VanDerWaalsContact O-CG 3.24Å; D2073-Q2077 WeakPolarHBondContact O-CG 3.42Å; D2073-Q2077 PolarHBondContact O-N 3.35Å; Q2074-Q2077 PolarHBondContact O-N 3.47Å |
| 2078 | K | 73.4 | Confident | 68.3 | Low | 167 Ų | 167 | 77.2 Ų | 77.2 | 73% | 0.726 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -141.1 | 7.9 | -167.5 | -60 | -174.7 | -178.8 | -179 | 0 | 114.3 | Q2074 | Q2074-K2078 PolarHBondContact O-N 3.05Å |
| 2079 | G | 75.4 | Confident | 65.6 | Low | 37 Ų | 37 | 82.9 Ų | 82.9 | 38% | 0.381 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -165.3 | -165.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I2075 G2081 | I2075-G2079 WeakPolarHBondContact CA-O 3.49Å; I2075-G2079 WeakPolarHBondContact O-CA 3.04Å; I2075-G2079 PolarHBondContact O-N 3.47Å; G2079-G2081 PolarHBondContact O-N 3.17Å |
| 2080 | V | 72.7 | Confident | 62.9 | Low | 29 Ų | 29 | 80.5 Ų | 80.5 | 18% | 0.176 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -15.7 | 174.7 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | Y2037 R2040 R2041 | Y2037-V2080 HydrophobicContact CD2-CG1 3.92Å; Y2037-V2080 HydrophobicContact CE2-CG1 3.73Å; R2040-V2080 HydrophobicContact CB-CG1 3.97Å; R2040-V2080 VanDerWaalsContact CZ-O 3.23Å; R2040-V2080 PolarHBondContact NE-O 3.38Å; R2040-V2080 PolarHBondContact NH2-O 2.84Å; R2041-V2080 HydrophobicContact CB-CG1 4.05Å |
| 2081 | G | 67.2 | Low | 60 | Low | 35 Ų | 35 | 82.3 Ų | 82.3 | 36% | 0.361 | 49% | 0.494 | S | S | . | . | trans | 69.5 | 166.7 | -168 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y2037 G2079 | Y2037-G2081 VanDerWaalsContact CE2-O 3.29Å; Y2037-G2081 WeakPolarHBondContact CE2-O 3.48Å; G2079-G2081 PolarHBondContact O-N 3.17Å | ||
| 2082 | D | 67.1 | Low | 57.3 | Low | 149 Ų | 149 | 85.5 Ų | 85.5 | 80% | 0.797 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -65 | 156.1 | 177.9 | -52.5 | -68.7 | 0 | 0 | 0 | 111.7 | Y2037 P2084 | Y2037-D2082 WeakPolarHBondContact CD2-O 3.05Å; D2082-P2084 WeakPolarHBondContact O-CD 3.48Å |
| 2083 | L | 71.9 | Confident | 54.4 | Low | 81 Ų | 81 | 88.8 Ų | 88.8 | 42% | 0.424 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 117.5 | 161.2 | 175.8 | 70.5 | 0 | 0 | 0 | 106.3 | Y2037 Y2038 | Y2037-L2083 HydrophobicContact CD1-CB 4.36Å; Y2037-L2083 HydrophobicContact CD1-CD1 3.44Å; Y2037-L2083 VanDerWaalsContact CD1-CD1 3.44Å; Y2037-L2083 HydrophobicContact CD2-CB 4.49Å; Y2037-L2083 HydrophobicContact CE1-CB 4.05Å; Y2037-L2083 HydrophobicContact CE1-CD1 3.63Å; Y2037-L2083 HydrophobicContact CE1-CG 4.41Å; Y2037-L2083 HydrophobicContact CE2-CB 4.17Å; Y2037-L2083 HydrophobicContact CG-CD1 4.09Å; Y2038-L2083 HydrophobicContact CE2-CD1 4.21Å |
| 2084 | P | 61.8 | Low | 51.6 | Low | 21 Ų | 21 | 97.4 Ų | 97.4 | 14% | 0.136 | 58% | 0.581 | C | S | . | * | P | Polyproline II helix | trans | -57.2 | 140.1 | 178.2 | 23.4 | -33.8 | 0 | 0 | 0 | 109.3 | Q2033 E2034 D2082 S2086 | Q2033-P2084 HydrophobicContact CB-CB 4.22Å; Q2033-P2084 HydrophobicContact CB-CG 3.82Å; E2034-P2084 HydrophobicContact CG-CG 4.12Å; D2082-P2084 WeakPolarHBondContact O-CD 3.48Å; P2084-S2086 PolarHBondContact O-N 3.37Å |
| 2085 | P | 41.1 | Very low | 48.9 | Very low | 111 Ų | 111 | 104.1 Ų | 104.1 | 72% | 0.721 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 118.9 | -175.9 | 23.1 | -33.5 | 0 | 0 | 0 | 109.2 | V2087 | P2085-V2087 PolarHBondContact O-N 3.07Š|
| 2086 | S | 35.8 | Very low | 46.2 | Very low | 76 Ų | 76 | 114.5 Ų | 114.5 | 53% | 0.531 | 64% | 0.641 | S | S | . | * | trans | -60.5 | 111.6 | -171.6 | 54.7 | 0 | 0 | 0 | 0 | 110 | E2034 P2084 S2088 | E2034-S2086 WeakPolarHBondContact OE1-CA 3.17Å; E2034-S2086 WeakPolarHBondContact OE1-CB 3.48Å; P2084-S2086 PolarHBondContact O-N 3.37Å; S2086-S2088 PolarHBondContact O-N 3.06Å; S2086-S2088 VanDerWaalsContact O-O 3.09Å | ||
| 2087 | V | 34.6 | Very low | 43.6 | Very low | 108 Ų | 108 | 111.7 Ų | 111.7 | 66% | 0.655 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -79.6 | 46.4 | -170 | -79.4 | 0 | 0 | 0 | 0 | 114.1 | P2085 | P2085-V2087 PolarHBondContact O-N 3.07Š|
| 2088 | S | 28.7 | Very low | 41.2 | Very low | 104 Ų | 104 | 114 Ų | 114 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -77.7 | 125.2 | 136.2 | -68 | 0 | 0 | 0 | 0 | 107.1 | S2086 | S2086-S2088 PolarHBondContact O-N 3.06Å; S2086-S2088 VanDerWaalsContact O-O 3.09Å |
| 2089 | S | 26.3 | Very low | 39 | Very low | 123 Ų | 123 | 111.2 Ų | 111.2 | 86% | 0.86 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 65.5 | 46 | 177.9 | -52.4 | 0 | 0 | 0 | 0 | 116.9 | ||
| 2090 | S | 23.3 | Very low | 36.6 | Very low | 69 Ų | 69 | 115.3 Ų | 115.3 | 48% | 0.483 | 68% | 0.677 | S | S | . | * | trans | -149.6 | 41.1 | 161.1 | -94.6 | 0 | 0 | 0 | 0 | 115.8 | G2092 | S2090-G2092 PolarHBondContact O-N 3.41Š| ||
| 2091 | A | 23.2 | Very low | 34.2 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 100% | 1 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 47.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 2092 | G | 24.3 | Very low | 32.2 | Very low | 71 Ų | 71 | 123.9 Ų | 123.9 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -159.7 | 8.3 | -161.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | S2090 | S2090-G2092 PolarHBondContact O-N 3.41Š|
| 2093 | S | 22.5 | Very low | 30.1 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | -137.2 | 59.1 | 171.8 | -161 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2094 | R | 22.6 | Very low | 27.8 | Very low | 246 Ų | 246 | 130 Ų | 130 | 93% | 0.928 | 76% | 0.757 | S | S | * | * | trans | -78 | 117.5 | 154.8 | -74.4 | -170.3 | -176.5 | -179 | 3.5 | 107.4 | R2096 | R2094-R2096 PolarHBondContact O-N 2.81Š| ||
| 2095 | R | 21.8 | Very low | 26 | Very low | 234 Ų | 234 | 140.5 Ų | 140.5 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -36.4 | 133.1 | 175.4 | -60.6 | 173.1 | 178.9 | -177 | -3.9 | 111.4 | G2097 | R2095-G2097 VanDerWaalsContact C-N 3.35Å; R2095-G2097 PolarHBondContact O-N 3.19Å | ||
| 2096 | R | 23.4 | Very low | 25.3 | Very low | 236 Ų | 236 | 138.8 Ų | 138.8 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -61.7 | 99.7 | 163.4 | -62.8 | -172.7 | -168.9 | -154 | 4.9 | 107.4 | R2094 F2098 | R2094-R2096 PolarHBondContact O-N 2.81Å; R2096-F2098 PolarHBondContact O-N 3.49Å; R2096-F2098 VanDerWaalsContact O-N 3.12Å | ||
| 2097 | G | 24.3 | Very low | 24.9 | Very low | 73 Ų | 73 | 141.2 Ų | 141.2 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -72.8 | 100.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | R2095 | R2095-G2097 VanDerWaalsContact C-N 3.35Å; R2095-G2097 PolarHBondContact O-N 3.19Å | ||
| 2098 | F | 24.4 | Very low | 24.4 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 139.1 | 167.9 | -89.9 | -97 | 0 | 0 | 0 | 109.8 | R2096 | R2096-F2098 PolarHBondContact O-N 3.49Å; R2096-F2098 VanDerWaalsContact O-N 3.12Å |
| 2099 | S | 26.7 | Very low | 24.4 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 147.5 | -175.8 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 2100 | P | 24.4 | Very low | 24.4 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 137.2 | 176.5 | 28 | -34.9 | 0 | 0 | 0 | 111 | ||
| 2101 | A | 23.1 | Very low | 24.6 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 84% | 0.843 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 130.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 2102 | T | 25.7 | Very low | 24.8 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 87% | 0.871 | 84% | 0.835 | S | S | * | * | trans | -117.6 | 131.7 | 160.5 | 44.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2103 | R | 21.6 | Very low | 25.1 | Very low | 244 Ų | 244 | 143.1 Ų | 143.1 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -82 | 130.9 | -168.5 | -61.5 | 158.2 | 166.6 | 171.6 | -8.4 | 111.9 | ||||
| 2104 | S | 25.2 | Very low | 25.3 | Very low | 115 Ų | 115 | 143.8 Ų | 143.8 | 80% | 0.804 | 84% | 0.84 | S | S | * | * | trans | -144.3 | 112.5 | 136.2 | 51.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 2105 | R | 23.8 | Very low | 25.5 | Very low | 241 Ų | 241 | 141.5 Ų | 141.5 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | 66 | 56.2 | 74.1 | -72 | -172.1 | 164.3 | -179.6 | -4.7 | 113.7 | |||||
| 2106 | G | 25.9 | Very low | 26 | Very low | 74 Ų | 74 | 140.8 Ų | 140.8 | 76% | 0.763 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -81 | 132.2 | 145.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 2107 | P | 27.9 | Very low | 26.2 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 83% | 0.831 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 167 | -176.3 | 35.1 | -35.5 | 0 | 0 | 0 | 114.2 | ||
| 2108 | S | 23.3 | Very low | 26.3 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 91% | 0.909 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 125.8 | -168.2 | -45.8 | 0 | 0 | 0 | 0 | 117.8 | ||
| 2109 | A | 29 | Very low | 26.4 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 88% | 0.884 | 86% | 0.861 | S | S | * | * | trans | -158.4 | 151.1 | 145.2 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 2110 | G | 26.5 | Very low | 26.3 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 80% | 0.804 | 87% | 0.867 | S | S | * | * | cis | 159.3 | 128.7 | -2.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2111 | G | 27.3 | Very low | 26.5 | Very low | 66 Ų | 66 | 138.6 Ų | 138.6 | 68% | 0.68 | 87% | 0.871 | S | S | * | * | trans | 88 | 136.3 | -167.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2112 | L | 27.9 | Very low | 26.7 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 96% | 0.958 | 87% | 0.873 | S | S | * | * | cis | 87.8 | 134.4 | 43.6 | -86.7 | 82.5 | 0 | 0 | 0 | 114.5 | ||||
| 2113 | G | 29.7 | Very low | 26.7 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 87% | 0.873 | S | S | * | * | trans | 80.7 | 107.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2114 | S | 26 | Very low | 27.1 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 87% | 0.87 | S | S | * | * | cis | 73 | 101.4 | 42.9 | -59.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 2115 | K | 26.7 | Very low | 27.3 | Very low | 198 Ų | 198 | 134.6 Ų | 134.6 | 86% | 0.861 | 88% | 0.875 | S | S | * | * | trans | 63.8 | 101.1 | 150.3 | -59.9 | 179.4 | 177.7 | 179 | 0 | 118.6 | ||||
| 2116 | V | 33.7 | Very low | 27.6 | Very low | 220 Ų | 220 | 124.9 Ų | 124.9 | 100% | 1.333 | 87% | 0.872 | S | S | * | * | -117.1 | 0 | 97.1 | 176.9 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 2,116 of 2,116 residues in 1211.9 ms
(Link to these results)