| 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 | 46.4 | Very low | 57.3 | Low | 143 Ų | 143 | 142.4 Ų | 142.4 | 70% | 0.704 | 66% | 0.655 | S | S | * | * | 0 | 126.2 | 0 | -89.7 | 166.9 | -173.4 | 0 | 0 | 110.7 | I3 F215 | M1-I3 HydrophobicContact CB-CD1 4.23Å; M1-I3 HydrophobicContact CB-CG1 4.19Å; M1-I3 PolarHBondContact O-N 3.05Å; M1-F215 HydrophobicContact CE-CD1 3.81Å; M1-F215 HydrophobicContact CE-CD2 3.28Å; M1-F215 HydrophobicContact CE-CE1 3.61Å; M1-F215 HydrophobicContact CE-CE2 3.09Å; M1-F215 HydrophobicContact CE-CG 3.68Å; M1-F215 HydrophobicContact CE-CZ 3.27Å; M1-F215 HydrophobicContact CG-CZ 4.11Å; M1-F215 HydrophobicContact SD-CD2 4.07Å; M1-F215 HydrophobicContact SD-CE1 4.15Å; M1-F215 HydrophobicContact SD-CE2 3.25Å; M1-F215 WeakPolarHBondContact SD-CE2 2.85Å; M1-F215 HydrophobicContact SD-CZ 3.31Å; M1-F215 WeakPolarHBondContact SD-CZ 3.45Å | |||
| 2 | R | 47.5 | Very low | 59.5 | Low | 227 Ų | 227 | 142.4 Ų | 142.4 | 86% | 0.857 | 65% | 0.652 | S | S | * | * | trans | -95.1 | 82 | 172.9 | -158.1 | -172.4 | -70.7 | 175.9 | -1 | 107.4 | K4 | R2-K4 PolarHBondContact O-N 3.3Š| ||
| 3 | I | 52.1 | Low | 61.3 | Low | 64 Ų | 64 | 132.3 Ų | 132.3 | 33% | 0.328 | 61% | 0.607 | S | S | . | * | trans | -72.8 | 102.9 | -177.2 | -68.7 | 148.6 | 0 | 0 | 0 | 107.9 | M1 H5 V130 L211 | M1-I3 HydrophobicContact CB-CD1 4.23Å; M1-I3 HydrophobicContact CB-CG1 4.19Å; M1-I3 PolarHBondContact O-N 3.05Å; I3-H5 VanDerWaalsContact C-N 3.32Å; I3-H5 HydrophobicContact CG2-CB 4.12Å; I3-V130 HydrophobicContact CD1-CG2 3.78Å; I3-L211 HydrophobicContact CD1-CD1 3.66Å; I3-L211 HydrophobicContact CG1-CD1 4.27Å; I3-L211 HydrophobicContact CG2-CD1 4.38Å | ||
| 4 | K | 47.7 | Very low | 62.9 | Low | 195 Ų | 195 | 128.5 Ų | 128.5 | 85% | 0.848 | 59% | 0.59 | S | S | * | * | trans | -91 | 4.5 | 174.1 | -123.5 | -175.9 | -175 | -173.5 | 0 | 112.1 | R2 R6 | R2-K4 PolarHBondContact O-N 3.3Å; K4-R6 PolarHBondContact O-N 2.97Å | ||
| 5 | H | 49.4 | Very low | 64.6 | Low | 160 Ų | 160 | 124.9 Ų | 124.9 | 74% | 0.741 | 59% | 0.585 | S | S | * | * | trans | -68.8 | 102.8 | 170.3 | -95 | -78.8 | 0 | 0 | 0 | 107.6 | I3 I7 | I3-H5 VanDerWaalsContact C-N 3.32Å; I3-H5 HydrophobicContact CG2-CB 4.12Å; H5-I7 PolarHBondContact O-N 3.2Å | ||
| 6 | R | 52.6 | Low | 66.1 | Low | 235 Ų | 235 | 120.3 Ų | 120.3 | 89% | 0.887 | 56% | 0.56 | S | S | * | * | trans | -57.3 | 88.3 | 167.3 | -171 | -169.6 | -66.2 | -173.8 | -1.2 | 106.1 | K4 K8 | K4-R6 PolarHBondContact O-N 2.97Å; R6-K8 PolarHBondContact O-N 3.34Å | ||
| 7 | I | 56.4 | Low | 67.3 | Low | 85 Ų | 85 | 115.4 Ų | 115.4 | 44% | 0.436 | 54% | 0.536 | S | S | . | . | trans | -52 | 113.6 | 167.6 | -63.7 | 171.2 | 0 | 0 | 0 | 103.9 | H5 H9 | H5-I7 PolarHBondContact O-N 3.2Å; I7-H9 PolarHBondContact O-CD2 3.07Å; I7-H9 PolarHBondContact O-N 3.07Å | ||
| 8 | K | 54.9 | Low | 68.6 | Low | 202 Ų | 202 | 118.7 Ų | 118.7 | 88% | 0.878 | 54% | 0.543 | S | S | * | . | trans | -69.6 | 93.7 | -179.3 | -171.3 | 178.7 | -178.2 | -175 | 0 | 105.2 | R6 S10 | R6-K8 PolarHBondContact O-N 3.34Å; K8-S10 PolarHBondContact O-N 2.7Å | ||
| 9 | H | 64.8 | Low | 69.9 | Low | 86 Ų | 86 | 115.2 Ų | 115.2 | 40% | 0.398 | 53% | 0.531 | S | S | . | . | trans | -56.2 | 115.8 | 176.2 | -71.1 | -73.5 | 0 | 0 | 0 | 107.4 | I7 T13 E14 | I7-H9 PolarHBondContact O-CD2 3.07Å; I7-H9 PolarHBondContact O-N 3.07Å; H9-T13 WeakPolarHBondContact CA-OG1 3.34Å; H9-T13 WeakPolarHBondContact CB-OG1 3.39Å; H9-E14 HydrophobicContact CB-CG 4.04Å; H9-E14 WeakPolarHBondContact CB-OE1 3.49Å; H9-E14 IonicContact CD2-OE1 3.66Å; H9-E14 IonicContact CG-OE1 3.42Å; H9-E14 VanDerWaalsContact CG-OE1 3.28Å; H9-E14 IonicContact ND1-OE1 3.54Å | ||
| 10 | S | 79.2 | Confident | 71 | Confident | 52 Ų | 52 | 109.6 Ų | 109.6 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | trans | -63.1 | 148.5 | 169.3 | 66.1 | 0 | 0 | 0 | 0 | 107.6 | K8 F12 T13 E14 | K8-S10 PolarHBondContact O-N 2.7Å; S10-F12 PolarHBondContact O-N 2.86Å; S10-T13 PolarHBondContact N-OG1 2.79Å; S10-T13 VanDerWaalsContact N-OG1 3.12Å; S10-T13 PolarHBondContact O-N 3.2Å; S10-T13 PolarHBondContact O-OG1 3.08Å; S10-T13 WeakPolarHBondContact OG-CG2 3.48Å; S10-T13 PolarHBondContact OG-N 3.13Å; S10-E14 PolarHBondContact O-N 3.24Å | ||
| 11 | P | 79.4 | Confident | 72.1 | Confident | 117 Ų | 117 | 106 Ų | 106 | 76% | 0.76 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -54.1 | -29.1 | 176.3 | 22.2 | -33.6 | 0 | 0 | 0 | 111.9 | E14 C15 | P11-E14 PolarHBondContact O-N 3.29Å; P11-C15 PolarHBondContact O-N 2.95Å; P11-C15 VanDerWaalsContact O-N 3.09Å |
| 12 | F | 83.1 | Confident | 74.5 | Confident | 143 Ų | 143 | 104.4 Ų | 104.4 | 63% | 0.627 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 173.5 | -172.8 | -107.7 | 0 | 0 | 0 | 113.4 | S10 C15 R16 | S10-F12 PolarHBondContact O-N 2.86Å; F12-C15 PolarHBondContact O-N 2.84Å; F12-R16 VanDerWaalsContact CE1-CD 3.41Å; F12-R16 HydrophobicContact CE1-CG 4.29Å; F12-R16 HydrophobicContact CZ-CG 4.43Å; F12-R16 WeakPolarHBondContact O-CG 3.21Å; F12-R16 PolarHBondContact O-N 2.9Å; F12-R16 VanDerWaalsContact O-N 3.09Å |
| 13 | T | 82.9 | Confident | 76.8 | Confident | 11 Ų | 11 | 94 Ų | 94 | 7% | 0.067 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 176 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | H9 S10 C15 R16 Y17 | H9-T13 WeakPolarHBondContact CA-OG1 3.34Å; H9-T13 WeakPolarHBondContact CB-OG1 3.39Å; S10-T13 PolarHBondContact N-OG1 2.79Å; S10-T13 VanDerWaalsContact N-OG1 3.12Å; S10-T13 PolarHBondContact O-N 3.2Å; S10-T13 PolarHBondContact O-OG1 3.08Å; S10-T13 WeakPolarHBondContact OG-CG2 3.48Å; S10-T13 PolarHBondContact OG-N 3.13Å; T13-C15 VanDerWaalsContact C-N 3.34Å; T13-C15 PolarHBondContact O-N 3.35Å; T13-R16 WeakPolarHBondContact O-CB 3.39Å; T13-R16 PolarHBondContact O-N 3.45Å; T13-R16 VanDerWaalsContact O-N 3.13Å; T13-Y17 WeakPolarHBondContact O-CD2 3.44Å; T13-Y17 PolarHBondContact O-N 3.37Å |
| 14 | E | 84.9 | Confident | 78.9 | Confident | 79 Ų | 79 | 91 Ų | 91 | 37% | 0.369 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 176.6 | -69.3 | -61.9 | 147.3 | 0 | 0 | 112.4 | H9 S10 P11 R16 Y17 R18 | H9-E14 HydrophobicContact CB-CG 4.04Å; H9-E14 WeakPolarHBondContact CB-OE1 3.49Å; H9-E14 IonicContact CD2-OE1 3.66Å; H9-E14 IonicContact CG-OE1 3.42Å; H9-E14 VanDerWaalsContact CG-OE1 3.28Å; H9-E14 IonicContact ND1-OE1 3.54Å; S10-E14 PolarHBondContact O-N 3.24Å; P11-E14 PolarHBondContact O-N 3.29Å; E14-R16 VanDerWaalsContact C-N 3.33Å; E14-R16 PolarHBondContact O-N 2.94Å; E14-Y17 PolarHBondContact O-N 3.38Å; E14-R18 WeakPolarHBondContact O-CG 3.39Å; E14-R18 PolarHBondContact O-N 3.13Å |
| 15 | C | 88.5 | Confident | 81.2 | Confident | 75 Ų | 75 | 86.3 Ų | 86.3 | 51% | 0.507 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.2 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | P11 F12 T13 R18 T19 | P11-C15 PolarHBondContact O-N 2.95Å; P11-C15 VanDerWaalsContact O-N 3.09Å; F12-C15 PolarHBondContact O-N 2.84Å; T13-C15 VanDerWaalsContact C-N 3.34Å; T13-C15 PolarHBondContact O-N 3.35Å; C15-R18 PolarHBondContact O-N 3.09Å; C15-T19 WeakPolarHBondContact O-CB 3.17Å; C15-T19 PolarHBondContact O-N 2.87Å; C15-T19 PolarHBondContact O-OG1 3.45Å |
| 16 | R | 88.5 | Confident | 83.5 | Confident | 50 Ų | 50 | 80.9 Ų | 80.9 | 19% | 0.189 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 176.6 | -74.8 | 171.8 | 55.1 | -151.1 | -8.2 | 112 | F12 T13 E14 T19 A20 L199 E203 | F12-R16 VanDerWaalsContact CE1-CD 3.41Å; F12-R16 HydrophobicContact CE1-CG 4.29Å; F12-R16 HydrophobicContact CZ-CG 4.43Å; F12-R16 WeakPolarHBondContact O-CG 3.21Å; F12-R16 PolarHBondContact O-N 2.9Å; F12-R16 VanDerWaalsContact O-N 3.09Å; T13-R16 WeakPolarHBondContact O-CB 3.39Å; T13-R16 PolarHBondContact O-N 3.45Å; T13-R16 VanDerWaalsContact O-N 3.13Å; E14-R16 VanDerWaalsContact C-N 3.33Å; E14-R16 PolarHBondContact O-N 2.94Å; R16-T19 PolarHBondContact O-N 2.9Å; R16-A20 WeakPolarHBondContact O-CB 3.32Å; R16-A20 PolarHBondContact O-N 3.07Å; R16-L199 VanDerWaalsContact NH2-CB 3.34Å; R16-E203 IonicContact CZ-OE2 2.78Å; R16-E203 IonicContact NH1-OE2 3.28Å; R16-E203 PolarHBondContact NH1-OE2 3.33Å; R16-E203 IonicContact NH2-OE2 3.87Å; R16-E203 PolarHBondContact NH2-OE2 3.39Å |
| 17 | Y | 86.5 | Confident | 85.6 | Confident | 38 Ų | 38 | 69.7 Ų | 69.7 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 175.6 | -77.5 | -75.5 | 0 | 0 | 0 | 112 | T13 E14 T19 A20 Y21 F200 | T13-Y17 WeakPolarHBondContact O-CD2 3.44Å; T13-Y17 PolarHBondContact O-N 3.37Å; E14-Y17 PolarHBondContact O-N 3.38Å; Y17-T19 VanDerWaalsContact C-N 3.29Å; Y17-T19 PolarHBondContact O-N 3.36Å; Y17-A20 PolarHBondContact O-N 3.02Å; Y17-Y21 HydrophobicContact CD1-CE2 4.31Å; Y17-Y21 WeakPolarHBondContact O-CD2 3.34Å; Y17-Y21 PolarHBondContact O-N 3.26Å; Y17-F200 AromaticContact CE1-CD1 3.89Å; Y17-F200 HydrophobicContact CE1-CD1 3.89Å; Y17-F200 AromaticContact CE1-CD2 4Å; Y17-F200 HydrophobicContact CE1-CD2 4Å; Y17-F200 AromaticContact CE1-CE1 3.52Å; Y17-F200 HydrophobicContact CE1-CE1 3.52Å; Y17-F200 AromaticContact CE1-CE2 3.75Å; Y17-F200 HydrophobicContact CE1-CE2 3.75Å; Y17-F200 HydrophobicContact CE1-CG 4.12Å; Y17-F200 AromaticContact CE1-CZ 3.48Å; Y17-F200 HydrophobicContact CE1-CZ 3.48Å; Y17-F200 VanDerWaalsContact CE1-CZ 3.48Å; Y17-F200 AromaticContact CZ-CD2 3.81Å; Y17-F200 AromaticContact CZ-CE2 3.43Å; Y17-F200 VanDerWaalsContact CZ-CE2 3.43Å; Y17-F200 AromaticContact CZ-CZ 3.56Å; Y17-F200 WeakPolarHBondContact OH-CE2 3.37Å; Y17-F200 WeakPolarHBondContact OH-CZ 3.37Å |
| 18 | R | 91 | Very high | 87.6 | Confident | 174 Ų | 174 | 68 Ų | 68 | 66% | 0.657 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.4 | -44.4 | 178.8 | -70.7 | -179 | -179.9 | -140.6 | 1 | 111.4 | E14 C15 A20 Y21 I22 | E14-R18 WeakPolarHBondContact O-CG 3.39Å; E14-R18 PolarHBondContact O-N 3.13Å; C15-R18 PolarHBondContact O-N 3.09Å; R18-A20 PolarHBondContact O-N 2.91Å; R18-Y21 PolarHBondContact O-N 3.41Å; R18-I22 WeakPolarHBondContact O-CB 3.41Å; R18-I22 WeakPolarHBondContact O-CD1 3.48Å; R18-I22 VanDerWaalsContact O-CG1 3.22Å; R18-I22 WeakPolarHBondContact O-CG1 3.43Å; R18-I22 PolarHBondContact O-N 3.17Å |
| 19 | T | 91.8 | Very high | 89.7 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 32% | 0.319 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 177.3 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | C15 R16 Y17 Y21 I22 S23 L192 | C15-T19 WeakPolarHBondContact O-CB 3.17Å; C15-T19 PolarHBondContact O-N 2.87Å; C15-T19 PolarHBondContact O-OG1 3.45Å; R16-T19 PolarHBondContact O-N 2.9Å; Y17-T19 VanDerWaalsContact C-N 3.29Å; Y17-T19 PolarHBondContact O-N 3.36Å; T19-Y21 PolarHBondContact O-N 3.14Å; T19-I22 PolarHBondContact O-N 2.76Å; T19-S23 WeakPolarHBondContact O-CB 2.88Å; T19-S23 PolarHBondContact O-N 2.76Å; T19-S23 PolarHBondContact O-OG 3.12Å; T19-L192 HydrophobicContact CG2-CD2 4.08Å; T19-L192 HydrophobicContact CG2-CG 4.47Å |
| 20 | A | 93.2 | Very high | 91.3 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R16 Y17 R18 S23 T24 F197 | R16-A20 WeakPolarHBondContact O-CB 3.32Å; R16-A20 PolarHBondContact O-N 3.07Å; Y17-A20 PolarHBondContact O-N 3.02Å; R18-A20 PolarHBondContact O-N 2.91Å; A20-S23 WeakPolarHBondContact CA-OG 3.46Å; A20-S23 PolarHBondContact O-OG 3.03Å; A20-T24 PolarHBondContact O-N 3.06Å; A20-T24 PolarHBondContact O-OG1 3.37Å; A20-T24 VanDerWaalsContact O-OG1 3.09Å; A20-F197 HydrophobicContact CB-CD1 4.47Å; A20-F197 HydrophobicContact CB-CD2 4.11Å; A20-F197 HydrophobicContact CB-CE1 4.1Å; A20-F197 HydrophobicContact CB-CE2 3.68Å; A20-F197 HydrophobicContact CB-CG 4.47Å; A20-F197 HydrophobicContact CB-CZ 3.68Å |
| 21 | Y | 93.6 | Very high | 92.2 | Very high | 35 Ų | 35 | 56.1 Ų | 56.1 | 14% | 0.137 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.5 | -48.1 | 177.4 | -62.3 | -47.1 | 0 | 0 | 0 | 111.9 | Y17 R18 T19 S23 T24 Y25 L119 Y122 M123 F197 | Y17-Y21 HydrophobicContact CD1-CE2 4.31Å; Y17-Y21 WeakPolarHBondContact O-CD2 3.34Å; Y17-Y21 PolarHBondContact O-N 3.26Å; R18-Y21 PolarHBondContact O-N 3.41Å; T19-Y21 PolarHBondContact O-N 3.14Å; Y21-S23 VanDerWaalsContact C-N 3.32Å; Y21-S23 PolarHBondContact O-N 3.42Å; Y21-T24 PolarHBondContact O-N 3.19Å; Y21-Y25 WeakPolarHBondContact O-CD2 3.49Å; Y21-Y25 PolarHBondContact O-N 3.24Å; Y21-Y25 VanDerWaalsContact O-N 3.14Å; Y21-L119 HydrophobicContact CD1-CD1 3.65Å; Y21-L119 HydrophobicContact CD1-CD2 4.04Å; Y21-L119 HydrophobicContact CD1-CG 4.18Å; Y21-L119 HydrophobicContact CE1-CD1 3.5Å; Y21-L119 VanDerWaalsContact CE1-CD1 3.5Å; Y21-L119 HydrophobicContact CE1-CG 4.35Å; Y21-Y122 WeakPolarHBondContact OH-CE1 3.4Å; Y21-M123 HydrophobicContact CD1-CE 3.49Å; Y21-M123 VanDerWaalsContact CD1-CE 3.49Å; Y21-M123 HydrophobicContact CD2-CE 3.43Å; Y21-M123 VanDerWaalsContact CD2-CE 3.43Å; Y21-M123 HydrophobicContact CE1-CE 3.39Å; Y21-M123 HydrophobicContact CE1-SD 3.9Å; Y21-M123 HydrophobicContact CE2-CE 3.33Å; Y21-M123 HydrophobicContact CE2-SD 4.11Å; Y21-M123 HydrophobicContact CG-CE 3.52Å; Y21-F197 HydrophobicContact CD1-CZ 4.04Å; Y21-F197 HydrophobicContact CE1-CE1 4.25Å; Y21-F197 HydrophobicContact CE1-CZ 4.06Å |
| 22 | I | 95.7 | Very high | 93.1 | Very high | 110 Ų | 110 | 53.6 Ų | 53.6 | 56% | 0.564 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61 | -44.9 | 179.4 | -66.8 | 165.9 | 0 | 0 | 0 | 109.9 | R18 T19 T24 Y25 T26 | R18-I22 WeakPolarHBondContact O-CB 3.41Å; R18-I22 WeakPolarHBondContact O-CD1 3.48Å; R18-I22 VanDerWaalsContact O-CG1 3.22Å; R18-I22 WeakPolarHBondContact O-CG1 3.43Å; R18-I22 PolarHBondContact O-N 3.17Å; T19-I22 PolarHBondContact O-N 2.76Å; I22-T24 PolarHBondContact O-N 3.01Å; I22-Y25 PolarHBondContact O-N 2.87Å; I22-T26 VanDerWaalsContact O-CB 3.25Å; I22-T26 WeakPolarHBondContact O-CB 3.44Å; I22-T26 PolarHBondContact O-N 2.99Å; I22-T26 PolarHBondContact O-OG1 3.29Å |
| 23 | S | 95.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 49.6 Ų | 49.6 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.7 | -35.7 | -179.8 | 64 | 0 | 0 | 0 | 0 | 112.6 | T19 A20 Y21 A27 S193 | T19-S23 WeakPolarHBondContact O-CB 2.88Å; T19-S23 PolarHBondContact O-N 2.76Å; T19-S23 PolarHBondContact O-OG 3.12Å; A20-S23 WeakPolarHBondContact CA-OG 3.46Å; A20-S23 PolarHBondContact O-OG 3.03Å; Y21-S23 VanDerWaalsContact C-N 3.32Å; Y21-S23 PolarHBondContact O-N 3.42Å; S23-A27 WeakPolarHBondContact O-CB 3.48Å; S23-A27 PolarHBondContact O-N 2.89Å; S23-S193 VanDerWaalsContact CB-OG 3.25Å; S23-S193 WeakPolarHBondContact CB-OG 3.41Å; S23-S193 PolarHBondContact O-OG 2.04Å; S23-S193 PolarHBondContact OG-OG 3.04Å |
| 24 | T | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -49.2 | 175.4 | -67.3 | 0 | 0 | 0 | 0 | 112 | A20 Y21 I22 T26 A27 F28 V116 L119 H144 S193 F197 | A20-T24 PolarHBondContact O-N 3.06Å; A20-T24 PolarHBondContact O-OG1 3.37Å; A20-T24 VanDerWaalsContact O-OG1 3.09Å; Y21-T24 PolarHBondContact O-N 3.19Å; I22-T24 PolarHBondContact O-N 3.01Å; T24-T26 VanDerWaalsContact C-N 3.32Å; T24-T26 PolarHBondContact O-N 3.23Å; T24-A27 PolarHBondContact O-N 3.17Å; T24-F28 PolarHBondContact O-N 3.32Å; T24-V116 HydrophobicContact CG2-CG2 4.18Å; T24-L119 HydrophobicContact CG2-CD2 3.75Å; T24-H144 WeakPolarHBondContact CG2-NE2 3.42Å; T24-H144 PolarHBondContact OG1-CE1 3.16Å; T24-H144 PolarHBondContact OG1-NE2 3.5Å; T24-S193 PolarHBondContact N-OG 3.3Å; T24-F197 WeakPolarHBondContact OG1-CE2 3.06Å |
| 25 | Y | 96.7 | Very high | 95 | Very high | 98 Ų | 98 | 47.1 Ų | 47.1 | 38% | 0.384 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.6 | -39.4 | 178.6 | -69.6 | -61.2 | 0 | 0 | 0 | 111.8 | Y21 I22 F28 A29 V116 L119 | Y21-Y25 WeakPolarHBondContact O-CD2 3.49Å; Y21-Y25 PolarHBondContact O-N 3.24Å; Y21-Y25 VanDerWaalsContact O-N 3.14Å; I22-Y25 PolarHBondContact O-N 2.87Å; Y25-F28 PolarHBondContact O-N 2.91Å; Y25-A29 WeakPolarHBondContact O-CB 3.44Å; Y25-A29 PolarHBondContact O-N 3.38Å; Y25-V116 HydrophobicContact CE1-CG1 4.26Å; Y25-L119 HydrophobicContact CE2-CD2 4.16Å |
| 26 | T | 97.4 | Very high | 95.3 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 28% | 0.282 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 176.7 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | I22 T24 F28 A29 F30 | I22-T26 VanDerWaalsContact O-CB 3.25Å; I22-T26 WeakPolarHBondContact O-CB 3.44Å; I22-T26 PolarHBondContact O-N 2.99Å; I22-T26 PolarHBondContact O-OG1 3.29Å; T24-T26 VanDerWaalsContact C-N 3.32Å; T24-T26 PolarHBondContact O-N 3.23Å; T26-F28 VanDerWaalsContact C-N 3.34Å; T26-F28 PolarHBondContact O-N 3.08Å; T26-A29 PolarHBondContact O-N 2.86Å; T26-F30 HydrophobicContact CG2-CD2 3.61Å; T26-F30 HydrophobicContact CG2-CE2 3.18Å; T26-F30 HydrophobicContact CG2-CZ 3.92Å; T26-F30 WeakPolarHBondContact O-CD2 3.41Å; T26-F30 WeakPolarHBondContact O-CG 3.33Å; T26-F30 PolarHBondContact O-N 3.45Å |
| 27 | A | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.7 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S23 T24 L31 S186 S190 | S23-A27 WeakPolarHBondContact O-CB 3.48Å; S23-A27 PolarHBondContact O-N 2.89Å; T24-A27 PolarHBondContact O-N 3.17Å; A27-L31 VanDerWaalsContact O-CB 3.31Å; A27-L31 WeakPolarHBondContact O-CB 3.42Å; A27-L31 PolarHBondContact O-N 3.44Å; A27-S186 PolarHBondContact O-OG 3.33Å; A27-S190 WeakPolarHBondContact CB-OG 3.33Å |
| 28 | F | 98.1 | Very high | 96 | Very high | 48 Ų | 48 | 46.3 Ų | 46.3 | 21% | 0.211 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -47.2 | 178.9 | 178 | -114.8 | 0 | 0 | 0 | 112.5 | T24 Y25 T26 L31 I32 L109 Q112 I113 V116 | T24-F28 PolarHBondContact O-N 3.32Å; Y25-F28 PolarHBondContact O-N 2.91Å; T26-F28 VanDerWaalsContact C-N 3.34Å; T26-F28 PolarHBondContact O-N 3.08Å; F28-L31 PolarHBondContact O-N 3.03Å; F28-I32 HydrophobicContact CD1-CD1 4.3Å; F28-I32 HydrophobicContact CD2-CD1 4.26Å; F28-I32 HydrophobicContact CD2-CG1 4.43Å; F28-I32 HydrophobicContact CE1-CD1 3.59Å; F28-I32 HydrophobicContact CE2-CD1 3.54Å; F28-I32 HydrophobicContact CE2-CG1 4.02Å; F28-I32 HydrophobicContact CZ-CD1 3.18Å; F28-I32 HydrophobicContact CZ-CG1 4.16Å; F28-I32 PolarHBondContact O-N 3.48Å; F28-L109 HydrophobicContact CE2-CD1 4.33Å; F28-Q112 HydrophobicContact CD2-CB 4.09Å; F28-I113 HydrophobicContact CE2-CG1 3.7Å; F28-I113 HydrophobicContact CZ-CG1 4.28Å; F28-V116 HydrophobicContact CB-CG2 3.91Å; F28-V116 HydrophobicContact CD1-CG2 4.16Å; F28-V116 HydrophobicContact CD2-CG2 4.12Å; F28-V116 HydrophobicContact CG-CG2 3.8Å |
| 29 | A | 98.2 | Very high | 96.3 | Very high | 44 Ų | 44 | 40.7 Ų | 40.7 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60 | -49.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y25 T26 L31 I32 I33 | Y25-A29 WeakPolarHBondContact O-CB 3.44Å; Y25-A29 PolarHBondContact O-N 3.38Å; T26-A29 PolarHBondContact O-N 2.86Å; A29-L31 VanDerWaalsContact C-N 3.32Å; A29-L31 PolarHBondContact O-N 3.18Å; A29-I32 PolarHBondContact O-N 2.8Å; A29-I33 WeakPolarHBondContact O-CB 3.3Å; A29-I33 WeakPolarHBondContact O-CD1 3.17Å; A29-I33 VanDerWaalsContact O-CG1 3.22Å; A29-I33 WeakPolarHBondContact O-CG1 3.38Å; A29-I33 PolarHBondContact O-N 3.29Å |
| 30 | F | 98.3 | Very high | 96.5 | Very high | 47 Ų | 47 | 38.3 Ų | 38.3 | 21% | 0.206 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66 | -33.9 | 178.2 | -66.9 | -31.2 | 0 | 0 | 0 | 113 | T26 I33 A34 F182 L185 | T26-F30 HydrophobicContact CG2-CD2 3.61Å; T26-F30 HydrophobicContact CG2-CE2 3.18Å; T26-F30 HydrophobicContact CG2-CZ 3.92Å; T26-F30 WeakPolarHBondContact O-CD2 3.41Å; T26-F30 WeakPolarHBondContact O-CG 3.33Å; T26-F30 PolarHBondContact O-N 3.45Å; F30-I33 HydrophobicContact CD1-CD1 4.41Å; F30-I33 PolarHBondContact O-N 3.07Å; F30-A34 VanDerWaalsContact O-CB 3.29Å; F30-A34 WeakPolarHBondContact O-CB 3.02Å; F30-A34 PolarHBondContact O-N 2.9Å; F30-F182 HydrophobicContact CB-CB 4.24Å; F30-F182 HydrophobicContact CB-CD1 4.4Å; F30-F182 AromaticContact CD1-CD1 3.41Å; F30-F182 HydrophobicContact CD1-CD1 3.41Å; F30-F182 VanDerWaalsContact CD1-CD1 3.41Å; F30-F182 AromaticContact CD1-CE1 3.75Å; F30-F182 HydrophobicContact CD1-CE1 3.75Å; F30-F182 HydrophobicContact CD1-CG 4.21Å; F30-F182 AromaticContact CE1-CD1 3.75Å; F30-F182 HydrophobicContact CE1-CD1 3.75Å; F30-F182 AromaticContact CE1-CE1 3.61Å; F30-F182 HydrophobicContact CE1-CE1 3.61Å; F30-F182 AromaticContact CG-CD1 3.93Å; F30-F182 HydrophobicContact CG-CD1 3.93Å; F30-F182 HydrophobicContact CZ-CD1 4.48Å; F30-F182 HydrophobicContact CZ-CE1 4.38Å; F30-L185 HydrophobicContact CD2-CB 4.12Å; F30-L185 HydrophobicContact CD2-CD2 3.66Å; F30-L185 HydrophobicContact CD2-CG 3.6Å; F30-L185 HydrophobicContact CE1-CD2 4.43Å; F30-L185 HydrophobicContact CE2-CB 4.44Å; F30-L185 HydrophobicContact CE2-CD2 3.16Å; F30-L185 HydrophobicContact CE2-CG 3.49Å; F30-L185 VanDerWaalsContact CE2-CG 3.49Å; F30-L185 HydrophobicContact CG-CD2 4.47Å; F30-L185 HydrophobicContact CZ-CD2 3.62Å; F30-L185 HydrophobicContact CZ-CG 4.42Å |
| 31 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.5 | -44.1 | 175.9 | -171 | 58.1 | 0 | 0 | 0 | 111.9 | A27 F28 A29 I33 A34 F35 V105 L109 Q112 I151 S186 | A27-L31 VanDerWaalsContact O-CB 3.31Å; A27-L31 WeakPolarHBondContact O-CB 3.42Å; A27-L31 PolarHBondContact O-N 3.44Å; F28-L31 PolarHBondContact O-N 3.03Å; A29-L31 VanDerWaalsContact C-N 3.32Å; A29-L31 PolarHBondContact O-N 3.18Å; L31-I33 VanDerWaalsContact C-N 3.34Å; L31-A34 PolarHBondContact O-N 2.79Å; L31-F35 VanDerWaalsContact O-CB 3.24Å; L31-F35 WeakPolarHBondContact O-CB 3.3Å; L31-F35 PolarHBondContact O-N 3Å; L31-V105 HydrophobicContact CD1-CG1 4.05Å; L31-L109 HydrophobicContact CD2-CB 4.17Å; L31-L109 HydrophobicContact CD2-CD1 4.21Å; L31-L109 HydrophobicContact CG-CD1 4.23Å; L31-Q112 HydrophobicContact CD2-CB 4.25Å; L31-Q112 HydrophobicContact CD2-CG 3.73Å; L31-I151 HydrophobicContact CD1-CD1 3.54Å; L31-I151 HydrophobicContact CD1-CG1 4.33Å; L31-S186 WeakPolarHBondContact CB-OG 3.49Å |
| 32 | I | 97.8 | Very high | 96.5 | Very high | 65 Ų | 65 | 38.5 Ų | 38.5 | 33% | 0.333 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 175.4 | -81.4 | -174.7 | 0 | 0 | 0 | 110.7 | F28 A29 A34 F35 V36 L109 | F28-I32 HydrophobicContact CD1-CD1 4.3Å; F28-I32 HydrophobicContact CD2-CD1 4.26Å; F28-I32 HydrophobicContact CD2-CG1 4.43Å; F28-I32 HydrophobicContact CE1-CD1 3.59Å; F28-I32 HydrophobicContact CE2-CD1 3.54Å; F28-I32 HydrophobicContact CE2-CG1 4.02Å; F28-I32 HydrophobicContact CZ-CD1 3.18Å; F28-I32 HydrophobicContact CZ-CG1 4.16Å; F28-I32 PolarHBondContact O-N 3.48Å; A29-I32 PolarHBondContact O-N 2.8Å; I32-A34 VanDerWaalsContact C-N 3.34Å; I32-A34 PolarHBondContact O-N 3.16Å; I32-F35 PolarHBondContact O-N 3.14Å; I32-F35 VanDerWaalsContact O-N 3.17Å; I32-V36 HydrophobicContact CG2-CG2 4.44Å; I32-V36 WeakPolarHBondContact O-CG2 3.39Å; I32-V36 PolarHBondContact O-N 2.81Å; I32-L109 HydrophobicContact CG1-CD1 3.65Å |
| 33 | I | 97.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 33.6 Ų | 33.6 | 30% | 0.303 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.5 | -50.7 | 178.2 | -70.4 | 166.7 | 0 | 0 | 0 | 109.1 | A29 F30 L31 F35 V36 T37 W178 F182 | A29-I33 WeakPolarHBondContact O-CB 3.3Å; A29-I33 WeakPolarHBondContact O-CD1 3.17Å; A29-I33 VanDerWaalsContact O-CG1 3.22Å; A29-I33 WeakPolarHBondContact O-CG1 3.38Å; A29-I33 PolarHBondContact O-N 3.29Å; F30-I33 HydrophobicContact CD1-CD1 4.41Å; F30-I33 PolarHBondContact O-N 3.07Å; L31-I33 VanDerWaalsContact C-N 3.34Å; I33-F35 VanDerWaalsContact C-N 3.27Å; I33-F35 PolarHBondContact O-N 2.99Å; I33-V36 PolarHBondContact O-N 3.32Å; I33-T37 HydrophobicContact CG2-CG2 4.18Å; I33-T37 VanDerWaalsContact O-CB 3.28Å; I33-T37 WeakPolarHBondContact O-CB 2.96Å; I33-T37 WeakPolarHBondContact O-CG2 3.5Å; I33-T37 PolarHBondContact O-N 3.17Å; I33-T37 VanDerWaalsContact O-N 3.1Å; I33-T37 PolarHBondContact O-OG1 2.85Å; I33-W178 HydrophobicContact CG2-CH2 4.49Å; I33-W178 HydrophobicContact CG2-CZ3 3.65Å; I33-F182 HydrophobicContact CG2-CD2 3.54Å; I33-F182 HydrophobicContact CG2-CE2 3.92Å; I33-F182 HydrophobicContact CG2-CG 4.27Å |
| 34 | A | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -36.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F30 L31 I32 W40 S179 F182 A183 | F30-A34 VanDerWaalsContact O-CB 3.29Å; F30-A34 WeakPolarHBondContact O-CB 3.02Å; F30-A34 PolarHBondContact O-N 2.9Å; L31-A34 PolarHBondContact O-N 2.79Å; I32-A34 VanDerWaalsContact C-N 3.34Å; I32-A34 PolarHBondContact O-N 3.16Å; A34-W40 PolarHBondContact O-NE1 3.21Å; A34-S179 VanDerWaalsContact CB-O 3.3Å; A34-S179 WeakPolarHBondContact CB-O 3.4Å; A34-F182 HydrophobicContact CB-CB 4.27Å; A34-A183 HydrophobicContact CB-CB 3.96Å |
| 35 | F | 96.7 | Very high | 95.6 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 17% | 0.167 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.7 | -43.8 | -177.5 | -175.8 | -101.6 | 0 | 0 | 0 | 113.6 | L31 I32 I33 L56 W57 V105 T106 L109 | L31-F35 VanDerWaalsContact O-CB 3.24Å; L31-F35 WeakPolarHBondContact O-CB 3.3Å; L31-F35 PolarHBondContact O-N 3Å; I32-F35 PolarHBondContact O-N 3.14Å; I32-F35 VanDerWaalsContact O-N 3.17Å; I33-F35 VanDerWaalsContact C-N 3.27Å; I33-F35 PolarHBondContact O-N 2.99Å; F35-L56 HydrophobicContact CD2-CD2 4.02Å; F35-L56 HydrophobicContact CE2-CD2 4.46Å; F35-W57 AromaticContact CD2-NE1 3.71Å; F35-W57 AromaticContact CE1-NE1 3.64Å; F35-W57 AromaticContact CE2-CE2 3.81Å; F35-W57 HydrophobicContact CE2-CZ2 4.04Å; F35-W57 AromaticContact CE2-NE1 3.01Å; F35-W57 AromaticContact CZ-CD1 3.87Å; F35-W57 AromaticContact CZ-CE2 3.66Å; F35-W57 AromaticContact CZ-CZ2 3.99Å; F35-W57 HydrophobicContact CZ-CZ2 3.99Å; F35-W57 AromaticContact CZ-NE1 2.98Å; F35-V105 HydrophobicContact CD2-CG1 3.9Å; F35-T106 HydrophobicContact CE2-CG2 3.4Å; F35-T106 HydrophobicContact CZ-CG2 3.64Å; F35-L109 HydrophobicContact CB-CD2 4.31Å; F35-L109 HydrophobicContact CD1-CD2 3.63Å; F35-L109 HydrophobicContact CD2-CD2 4.12Å; F35-L109 HydrophobicContact CE1-CD2 3.87Å; F35-L109 HydrophobicContact CE2-CD2 4.32Å; F35-L109 HydrophobicContact CG-CD2 3.75Å; F35-L109 HydrophobicContact CZ-CD2 4.2Å |
| 36 | V | 95.8 | Very high | 95.1 | Very high | 100 Ų | 100 | 50.6 Ų | 50.6 | 61% | 0.606 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -85.9 | -30.4 | -172.2 | 176.8 | 0 | 0 | 0 | 0 | 112 | I32 I33 | I32-V36 HydrophobicContact CG2-CG2 4.44Å; I32-V36 WeakPolarHBondContact O-CG2 3.39Å; I32-V36 PolarHBondContact O-N 2.81Å; I33-V36 PolarHBondContact O-N 3.32Å |
| 37 | T | 95.5 | Very high | 94.6 | Very high | 28 Ų | 28 | 52.5 Ų | 52.5 | 17% | 0.172 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -85.5 | 142.2 | -166.7 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | I33 Y39 W178 S179 | I33-T37 HydrophobicContact CG2-CG2 4.18Å; I33-T37 VanDerWaalsContact O-CB 3.28Å; I33-T37 WeakPolarHBondContact O-CB 2.96Å; I33-T37 WeakPolarHBondContact O-CG2 3.5Å; I33-T37 PolarHBondContact O-N 3.17Å; I33-T37 VanDerWaalsContact O-N 3.1Å; I33-T37 PolarHBondContact O-OG1 2.85Å; T37-Y39 PolarHBondContact O-N 3.19Å; T37-W178 VanDerWaalsContact CB-CH2 3.45Å; T37-W178 HydrophobicContact CG2-CH2 3.51Å; T37-W178 HydrophobicContact CG2-CZ3 3.96Å; T37-W178 WeakPolarHBondContact OG1-CH2 3.23Å; T37-W178 WeakPolarHBondContact OG1-CZ3 3.49Å; T37-S179 WeakPolarHBondContact OG1-CB 3.3Å; T37-S179 PolarHBondContact OG1-OG 3.48Å |
| 38 | P | 94.4 | Very high | 94 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -83.2 | 38.5 | -175.3 | 34.7 | -37.4 | 0 | 0 | 0 | 114.3 | R53 L54 E58 | P38-R53 WeakPolarHBondContact O-CB 3.44Å; P38-L54 CarbonylContact C-O 3.57Å; P38-L54 CarbonylContact O-C 3.57Å; P38-E58 HydrophobicContact CB-CB 4.18Å; P38-E58 HydrophobicContact CB-CG 4.34Å |
| 39 | Y | 95.8 | Very high | 93.5 | Very high | 56 Ų | 56 | 59.5 Ų | 59.5 | 22% | 0.22 | 29% | 0.292 | C | S | . | . | trans | -132.5 | 45.3 | -172.9 | -57.4 | -95 | 0 | 0 | 0 | 113.5 | T37 R53 L54 S177 W178 S179 | T37-Y39 PolarHBondContact O-N 3.19Å; Y39-R53 PolarHBondContact OH-NH1 3.12Å; Y39-L54 PolarHBondContact N-O 3.44Å; Y39-S177 CarbonylContact O-C 3.47Å; Y39-S177 VanDerWaalsContact O-C 3.28Å; Y39-S177 WeakPolarHBondContact O-CB 3.36Å; Y39-W178 VanDerWaalsContact CB-CE2 3.43Å; Y39-W178 VanDerWaalsContact CB-NE1 3.34Å; Y39-W178 HydrophobicContact CD1-CZ2 4.38Å; Y39-W178 AromaticContact CD1-NE1 3.36Å; Y39-W178 AromaticContact CD2-CE2 3.44Å; Y39-W178 VanDerWaalsContact CD2-CE2 3.44Å; Y39-W178 AromaticContact CD2-CH2 3.84Å; Y39-W178 HydrophobicContact CD2-CH2 3.84Å; Y39-W178 AromaticContact CD2-CZ2 3.01Å; Y39-W178 HydrophobicContact CD2-CZ2 3.01Å; Y39-W178 AromaticContact CD2-NE1 3.65Å; Y39-W178 AromaticContact CE1-NE1 3.94Å; Y39-W178 HydrophobicContact CE2-CH2 4.39Å; Y39-W178 AromaticContact CE2-CZ2 3.46Å; Y39-W178 HydrophobicContact CE2-CZ2 3.46Å; Y39-W178 VanDerWaalsContact CE2-CZ2 3.46Å; Y39-W178 HydrophobicContact CG-CD2 4.35Å; Y39-W178 AromaticContact CG-CE2 3.39Å; Y39-W178 AromaticContact CG-CZ2 3.54Å; Y39-W178 HydrophobicContact CG-CZ2 3.54Å; Y39-W178 AromaticContact CG-NE1 3.17Å; Y39-S179 VanDerWaalsContact C-OG 3.24Å; Y39-S179 WeakPolarHBondContact CA-OG 3.33Å; Y39-S179 VanDerWaalsContact CB-OG 3.28Å; Y39-S179 WeakPolarHBondContact CB-OG 3.28Å; Y39-S179 PolarHBondContact N-OG 3.17Å; Y39-S179 WeakPolarHBondContact O-CB 3.48Å; Y39-S179 PolarHBondContact O-N 3.34Å; Y39-S179 PolarHBondContact O-OG 3.3Å | ||
| 40 | W | 95.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -75.9 | -44.3 | 165.3 | -86.7 | 66 | 0 | 0 | 0 | 111.6 | A34 L54 L56 I101 V105 F158 P176 S177 Y180 A183 | A34-W40 PolarHBondContact O-NE1 3.21Å; W40-L54 WeakPolarHBondContact CA-O 3.42Å; W40-L54 WeakPolarHBondContact CB-O 3.13Å; W40-L54 PolarHBondContact N-O 2.96Å; W40-L56 HydrophobicContact CD2-CD1 3.29Å; W40-L56 HydrophobicContact CE3-CD1 3.9Å; W40-L56 HydrophobicContact CG-CD1 3.6Å; W40-L56 HydrophobicContact CH2-CD1 4.07Å; W40-L56 HydrophobicContact CZ2-CD1 3.52Å; W40-L56 HydrophobicContact CZ2-CD2 4.25Å; W40-L56 HydrophobicContact CZ3-CD1 4.24Å; W40-L56 VanDerWaalsContact NE1-CD1 3.28Å; W40-I101 HydrophobicContact CH2-CG2 4.2Å; W40-I101 HydrophobicContact CZ3-CG2 4.11Å; W40-V105 HydrophobicContact CH2-CG2 4.3Å; W40-F158 HydrophobicContact CB-CZ 4.4Å; W40-F158 HydrophobicContact CE3-CD1 4.42Å; W40-F158 AromaticContact CE3-CD2 3.91Å; W40-F158 HydrophobicContact CE3-CD2 3.91Å; W40-F158 HydrophobicContact CE3-CE2 4.06Å; W40-F158 HydrophobicContact CE3-CG 4.1Å; W40-F158 HydrophobicContact CE3-CZ 4.37Å; W40-F158 HydrophobicContact CZ3-CB 4.36Å; W40-F158 HydrophobicContact CZ3-CD2 4.3Å; W40-F158 HydrophobicContact CZ3-CG 4.21Å; W40-P176 WeakPolarHBondContact O-CA 3.39Å; W40-S177 PolarHBondContact O-N 3.43Å; W40-Y180 AromaticContact CE3-CD2 3.82Å; W40-Y180 HydrophobicContact CE3-CD2 3.82Å; W40-Y180 AromaticContact CZ3-CD2 3.76Å; W40-Y180 HydrophobicContact CZ3-CD2 3.76Å; W40-Y180 HydrophobicContact CZ3-CE2 4.38Å; W40-A183 HydrophobicContact CH2-CB 3.91Å; W40-A183 HydrophobicContact CZ2-CB 3.78Å |
| 41 | L | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.1 | 173.9 | -164.7 | 71.7 | 0 | 0 | 0 | 108.8 | F51 R53 L54 F158 Y162 W167 M168 N174 | L41-F51 HydrophobicContact CB-CE1 4.4Å; L41-F51 HydrophobicContact CB-CZ 4.08Å; L41-F51 HydrophobicContact CD2-CE1 3.88Å; L41-F51 HydrophobicContact CD2-CZ 4.02Å; L41-F51 HydrophobicContact CG-CE1 3.99Å; L41-F51 HydrophobicContact CG-CZ 4.15Å; L41-R53 CarbonylContact O-C 3.59Å; L41-R53 WeakPolarHBondContact O-CA 3.49Å; L41-L54 HydrophobicContact CB-CB 4.11Å; L41-L54 HydrophobicContact CB-CD2 3.9Å; L41-L54 PolarHBondContact N-O 3.07Å; L41-L54 PolarHBondContact O-N 2.74Å; L41-F158 HydrophobicContact CB-CZ 4.17Å; L41-F158 HydrophobicContact CD1-CZ 4.18Å; L41-Y162 HydrophobicContact CD1-CD2 3.81Å; L41-Y162 HydrophobicContact CD1-CG 4.47Å; L41-W167 HydrophobicContact CD2-CH2 4.46Å; L41-W167 HydrophobicContact CD2-CZ3 4.03Å; L41-M168 HydrophobicContact CD2-CG 4.43Å; L41-N174 HydrophobicContact CD1-CB 4.17Å; L41-N174 HydrophobicContact CD2-CB 4.06Å; L41-N174 HydrophobicContact CG-CB 4.09Å |
| 42 | Q | 93.4 | Very high | 92.4 | Very high | 42 Ų | 42 | 59.3 Ų | 59.3 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 144.3 | 176 | -166.8 | 178.9 | -10.2 | 0 | 0 | 109.3 | R53 N174 W175 S177 | Q42-R53 HydrophobicContact CG-CB 4.29Å; Q42-N174 WeakPolarHBondContact O-CA 3.23Å; Q42-W175 HydrophobicContact CB-CZ2 4.26Å; Q42-W175 PolarHBondContact N-O 3.41Å; Q42-W175 VanDerWaalsContact N-O 3.08Å; Q42-W175 PolarHBondContact O-N 2.87Å; Q42-W175 PolarHBondContact O-NE1 3.44Å; Q42-S177 WeakPolarHBondContact CB-OG 3.38Å; Q42-S177 PolarHBondContact N-OG 2.91Å; Q42-S177 PolarHBondContact OE1-OG 3.46Å |
| 43 | S | 92.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 59.4 Ų | 59.4 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 162.7 | 169 | 55.7 | 0 | 0 | 0 | 0 | 111.3 | P45 T49 F51 V52 N174 | S43-P45 WeakPolarHBondContact O-CD 3.41Å; S43-T49 WeakPolarHBondContact CB-OG1 3.5Å; S43-T49 PolarHBondContact OG-OG1 2.79Å; S43-F51 WeakPolarHBondContact CB-O 3.38Å; S43-F51 PolarHBondContact OG-O 2.62Å; S43-V52 PolarHBondContact N-O 3.27Å; S43-V52 WeakPolarHBondContact OG-CA 3.04Å; S43-V52 PolarHBondContact OG-O 2.71Å; S43-V52 VanDerWaalsContact OG-O 3.07Å; S43-N174 WeakPolarHBondContact CB-OD1 3.3Å |
| 44 | W | 91 | Very high | 91.9 | Very high | 132 Ų | 132 | 56.7 Ų | 56.7 | 50% | 0.5 | 27% | 0.272 | S | S | . | . | trans | -61.8 | 121.8 | 173.9 | -81.6 | 102.6 | 0 | 0 | 0 | 111.2 | R46 L47 L173 | W44-R46 PolarHBondContact O-N 3.13Å; W44-L47 HydrophobicContact CB-CB 4.42Å; W44-L47 HydrophobicContact CB-CD1 4.14Å; W44-L47 HydrophobicContact CB-CG 4.35Å; W44-L47 PolarHBondContact O-N 3.24Å; W44-L173 PolarHBondContact N-O 2.71Å | ||
| 45 | P | 85.5 | Confident | 91.8 | Very high | 100 Ų | 100 | 56.7 Ų | 56.7 | 65% | 0.649 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -17.2 | -174 | 25.6 | -35.5 | 0 | 0 | 0 | 114.1 | S43 | S43-P45 WeakPolarHBondContact O-CD 3.41Š|
| 46 | R | 86.9 | Confident | 91.7 | Very high | 231 Ų | 231 | 54.9 Ų | 54.9 | 87% | 0.872 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -12.7 | 178.2 | -65.3 | -177.8 | -178.6 | 173.4 | 0.2 | 113.3 | W44 | W44-R46 PolarHBondContact O-N 3.13Š|
| 47 | L | 86.7 | Confident | 91.7 | Very high | 86 Ų | 86 | 52.8 Ų | 52.8 | 45% | 0.45 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -111.7 | 131 | -176.8 | -63.5 | 174.6 | 0 | 0 | 0 | 109 | W44 T49 L173 | W44-L47 HydrophobicContact CB-CB 4.42Å; W44-L47 HydrophobicContact CB-CD1 4.14Å; W44-L47 HydrophobicContact CB-CG 4.35Å; W44-L47 PolarHBondContact O-N 3.24Å; L47-T49 PolarHBondContact O-N 2.96Å; L47-T49 VanDerWaalsContact O-N 3.08Å; L47-L173 HydrophobicContact CD1-CD1 3.94Å; L47-L173 HydrophobicContact CD1-CD2 3.61Å; L47-L173 HydrophobicContact CD1-CG 4.32Å |
| 48 | H | 85.1 | Confident | 91.6 | Very high | 185 Ų | 185 | 54.5 Ų | 54.5 | 86% | 0.856 | 25% | 0.252 | S | S | * | . | trans | -79 | 94.3 | 176 | -71.2 | -65.1 | 0 | 0 | 0 | 109.7 | ||||
| 49 | T | 88.2 | Confident | 91.5 | Very high | 11 Ų | 11 | 53.8 Ų | 53.8 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | trans | -106 | 149.3 | 170.4 | 51.7 | 0 | 0 | 0 | 0 | 110.7 | S43 L47 F51 Y170 L173 | S43-T49 WeakPolarHBondContact CB-OG1 3.5Å; S43-T49 PolarHBondContact OG-OG1 2.79Å; L47-T49 PolarHBondContact O-N 2.96Å; L47-T49 VanDerWaalsContact O-N 3.08Å; T49-F51 PolarHBondContact O-N 3.16Å; T49-F51 PolarHBondContact OG1-O 2.56Å; T49-Y170 HydrophobicContact CG2-CD2 4.29Å; T49-L173 HydrophobicContact CG2-CD1 3.87Å | ||
| 50 | P | 88.5 | Confident | 91.3 | Very high | 32 Ų | 32 | 51.2 Ų | 51.2 | 21% | 0.208 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -63 | -27.4 | 178.1 | 24.1 | -33.9 | 0 | 0 | 0 | 112.9 | V61 N62 F64 P169 | P50-V61 CarbonylContact O-C 3.28Å; P50-V61 WeakPolarHBondContact O-CA 3.49Å; P50-V61 WeakPolarHBondContact O-CB 3.42Å; P50-N62 WeakPolarHBondContact CA-O 3.28Å; P50-N62 PolarHBondContact O-N 3.13Å; P50-F64 HydrophobicContact CB-CB 4.17Å; P50-F64 HydrophobicContact CB-CD2 4.17Å; P50-P169 HydrophobicContact CG-CB 4.2Å; P50-P169 HydrophobicContact CG-CG 3.68Å |
| 51 | F | 90.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.5 | 171.1 | 170.1 | -108.7 | 0 | 0 | 0 | 110.2 | L41 S43 T49 R53 L54 F59 M168 P169 N174 | L41-F51 HydrophobicContact CB-CE1 4.4Å; L41-F51 HydrophobicContact CB-CZ 4.08Å; L41-F51 HydrophobicContact CD2-CE1 3.88Å; L41-F51 HydrophobicContact CD2-CZ 4.02Å; L41-F51 HydrophobicContact CG-CE1 3.99Å; L41-F51 HydrophobicContact CG-CZ 4.15Å; S43-F51 WeakPolarHBondContact CB-O 3.38Å; S43-F51 PolarHBondContact OG-O 2.62Å; T49-F51 PolarHBondContact O-N 3.16Å; T49-F51 PolarHBondContact OG1-O 2.56Å; F51-R53 WeakPolarHBondContact CE2-O 3.41Å; F51-L54 HydrophobicContact CE2-CB 3.68Å; F51-L54 HydrophobicContact CZ-CB 3.65Å; F51-F59 HydrophobicContact CD2-CE1 4.24Å; F51-F59 AromaticContact CD2-CE2 3.6Å; F51-F59 HydrophobicContact CD2-CE2 3.6Å; F51-F59 AromaticContact CD2-CZ 3.39Å; F51-F59 HydrophobicContact CD2-CZ 3.39Å; F51-F59 HydrophobicContact CE2-CD2 4.14Å; F51-F59 AromaticContact CE2-CE2 3.34Å; F51-F59 HydrophobicContact CE2-CE2 3.34Å; F51-F59 AromaticContact CE2-CZ 3.68Å; F51-F59 HydrophobicContact CE2-CZ 3.68Å; F51-M168 HydrophobicContact CD2-SD 4.06Å; F51-M168 HydrophobicContact CG-SD 4.24Å; F51-P169 HydrophobicContact CB-CG 4.44Å; F51-N174 WeakPolarHBondContact CD1-OD1 3.47Å |
| 52 | V | 92.5 | Very high | 91 | Very high | 54 Ų | 54 | 55.6 Ų | 55.6 | 33% | 0.327 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -60.2 | 177.5 | -176.2 | 0 | 0 | 0 | 0 | 111.1 | S43 C60 N62 | S43-V52 PolarHBondContact N-O 3.27Å; S43-V52 WeakPolarHBondContact OG-CA 3.04Å; S43-V52 PolarHBondContact OG-O 2.71Å; S43-V52 VanDerWaalsContact OG-O 3.07Å; V52-C60 HydrophobicContact CB-CB 4.26Å; V52-C60 WeakPolarHBondContact CB-O 3.45Å; V52-C60 PolarHBondContact N-O 2.96Å; V52-N62 HydrophobicContact CG2-CB 3.86Å |
| 53 | R | 93 | Very high | 90.8 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 153.8 | -178.5 | 61.8 | 179.9 | 177.2 | -148.1 | -7.1 | 112.2 | P38 Y39 L41 Q42 F51 C60 C78 | P38-R53 WeakPolarHBondContact O-CB 3.44Å; Y39-R53 PolarHBondContact OH-NH1 3.12Å; L41-R53 CarbonylContact O-C 3.59Å; L41-R53 WeakPolarHBondContact O-CA 3.49Å; Q42-R53 HydrophobicContact CG-CB 4.29Å; F51-R53 WeakPolarHBondContact CE2-O 3.41Å; R53-C60 HydrophobicContact CG-CB 3.5Å; R53-C60 PolarHBondContact N-O 3.48Å; R53-C60 PolarHBondContact NE-SG 2.89Å; R53-C60 PolarHBondContact O-N 3.19Å; R53-C78 PolarHBondContact NH2-SG 2.99Å; R53-C78 VanDerWaalsContact NH2-SG 3.42Å |
| 54 | L | 92.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 129.4 | -178 | 166.5 | 85.8 | 0 | 0 | 0 | 108.6 | P38 Y39 W40 L41 F51 F59 F98 W167 | P38-L54 CarbonylContact C-O 3.57Å; P38-L54 CarbonylContact O-C 3.57Å; Y39-L54 PolarHBondContact N-O 3.44Å; W40-L54 WeakPolarHBondContact CA-O 3.42Å; W40-L54 WeakPolarHBondContact CB-O 3.13Å; W40-L54 PolarHBondContact N-O 2.96Å; L41-L54 HydrophobicContact CB-CB 4.11Å; L41-L54 HydrophobicContact CB-CD2 3.9Å; L41-L54 PolarHBondContact N-O 3.07Å; L41-L54 PolarHBondContact O-N 2.74Å; F51-L54 HydrophobicContact CE2-CB 3.68Å; F51-L54 HydrophobicContact CZ-CB 3.65Å; L54-F59 HydrophobicContact CB-CD2 3.96Å; L54-F59 HydrophobicContact CB-CE2 3.98Å; L54-F59 HydrophobicContact CD1-CD2 3.4Å; L54-F59 HydrophobicContact CD1-CE2 3.66Å; L54-F59 HydrophobicContact CG-CD2 4.27Å; L54-F59 HydrophobicContact CG-CE2 4.37Å; L54-F98 HydrophobicContact CD1-CE1 4.01Å; L54-F98 HydrophobicContact CD1-CZ 3.82Å; L54-F98 HydrophobicContact CD2-CE2 4Å; L54-F98 HydrophobicContact CD2-CZ 3.93Å; L54-F98 HydrophobicContact CG-CZ 4.09Å; L54-W167 HydrophobicContact CD2-CH2 3.41Å; L54-W167 VanDerWaalsContact CD2-CH2 3.41Å; L54-W167 HydrophobicContact CD2-CZ2 3.81Å; L54-W167 HydrophobicContact CD2-CZ3 4.47Å |
| 55 | G | 94.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | trans | -103.2 | -176.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | W57 E58 | G55-W57 PolarHBondContact O-N 3.27Å; G55-E58 PolarHBondContact N-O 3.44Å | ||
| 56 | L | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -59.9 | -32.2 | 170.7 | -98.4 | 54.5 | 0 | 0 | 0 | 111.9 | F35 W40 F98 Q102 V105 | F35-L56 HydrophobicContact CD2-CD2 4.02Å; F35-L56 HydrophobicContact CE2-CD2 4.46Å; W40-L56 HydrophobicContact CD2-CD1 3.29Å; W40-L56 HydrophobicContact CE3-CD1 3.9Å; W40-L56 HydrophobicContact CG-CD1 3.6Å; W40-L56 HydrophobicContact CH2-CD1 4.07Å; W40-L56 HydrophobicContact CZ2-CD1 3.52Å; W40-L56 HydrophobicContact CZ2-CD2 4.25Å; W40-L56 HydrophobicContact CZ3-CD1 4.24Å; W40-L56 VanDerWaalsContact NE1-CD1 3.28Å; L56-F98 HydrophobicContact CD1-CZ 4.48Å; L56-Q102 HydrophobicContact CG-CG 4.32Å; L56-Q102 PolarHBondContact O-NE2 2.97Å; L56-V105 HydrophobicContact CD2-CB 3.76Å; L56-V105 HydrophobicContact CD2-CG1 3.66Å; L56-V105 HydrophobicContact CD2-CG2 4.11Å |
| 57 | W | 95.3 | Very high | 89.7 | Confident | 56 Ų | 56 | 45 Ų | 45 | 21% | 0.212 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -132.7 | -6.2 | -170.8 | -54.4 | 99.2 | 0 | 0 | 0 | 116.1 | F35 G55 W80 I81 Q102 T106 | F35-W57 AromaticContact CD2-NE1 3.71Å; F35-W57 AromaticContact CE1-NE1 3.64Å; F35-W57 AromaticContact CE2-CE2 3.81Å; F35-W57 HydrophobicContact CE2-CZ2 4.04Å; F35-W57 AromaticContact CE2-NE1 3.01Å; F35-W57 AromaticContact CZ-CD1 3.87Å; F35-W57 AromaticContact CZ-CE2 3.66Å; F35-W57 AromaticContact CZ-CZ2 3.99Å; F35-W57 HydrophobicContact CZ-CZ2 3.99Å; F35-W57 AromaticContact CZ-NE1 2.98Å; G55-W57 PolarHBondContact O-N 3.27Å; W57-W80 HydrophobicContact CB-CD2 4.26Å; W57-W80 HydrophobicContact CB-CE3 3.64Å; W57-W80 HydrophobicContact CB-CH2 3.08Å; W57-W80 HydrophobicContact CB-CZ2 3.7Å; W57-W80 HydrophobicContact CB-CZ3 3.03Å; W57-W80 AromaticContact CD2-CH2 3.7Å; W57-W80 HydrophobicContact CD2-CH2 3.7Å; W57-W80 AromaticContact CD2-CZ2 3.85Å; W57-W80 HydrophobicContact CD2-CZ2 3.85Å; W57-W80 AromaticContact CE3-CH2 3.87Å; W57-W80 HydrophobicContact CE3-CH2 3.87Å; W57-W80 AromaticContact CE3-CZ2 3.49Å; W57-W80 HydrophobicContact CE3-CZ2 3.49Å; W57-W80 VanDerWaalsContact CE3-CZ2 3.49Å; W57-W80 AromaticContact CG-CH2 3.38Å; W57-W80 HydrophobicContact CG-CH2 3.38Å; W57-W80 AromaticContact CG-CZ2 3.97Å; W57-W80 HydrophobicContact CG-CZ2 3.97Å; W57-W80 AromaticContact CG-CZ3 3.84Å; W57-W80 HydrophobicContact CG-CZ3 3.84Å; W57-W80 HydrophobicContact CZ3-CZ2 4.38Å; W57-W80 CarbonylContact O-C 3.36Å; W57-W80 WeakPolarHBondContact O-CA 3.48Å; W57-W80 VanDerWaalsContact O-CD2 3.29Å; W57-I81 HydrophobicContact CE3-CG2 3.98Å; W57-I81 WeakPolarHBondContact O-CB 3.35Å; W57-I81 PolarHBondContact O-N 3.47Å; W57-Q102 HydrophobicContact CH2-CB 4.19Å; W57-Q102 HydrophobicContact CZ2-CB 4.15Å; W57-T106 HydrophobicContact CH2-CG2 4.26Å; W57-T106 HydrophobicContact CZ2-CG2 3.49Å; W57-T106 VanDerWaalsContact CZ2-CG2 3.49Å |
| 58 | E | 93.8 | Very high | 89.3 | Confident | 64 Ų | 64 | 49.3 Ų | 49.3 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 136.7 | 177.6 | -177 | -178.3 | 135.3 | 0 | 0 | 109 | P38 G55 W79 | P38-E58 HydrophobicContact CB-CB 4.18Å; P38-E58 HydrophobicContact CB-CG 4.34Å; G55-E58 PolarHBondContact N-O 3.44Å; E58-W79 WeakPolarHBondContact CA-O 3.13Å |
| 59 | F | 90.8 | Very high | 89 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131 | -179.3 | -160.5 | -112.6 | 0 | 0 | 0 | 110.2 | F51 L54 V61 C78 W79 I81 L93 M168 | F51-F59 HydrophobicContact CD2-CE1 4.24Å; F51-F59 AromaticContact CD2-CE2 3.6Å; F51-F59 HydrophobicContact CD2-CE2 3.6Å; F51-F59 AromaticContact CD2-CZ 3.39Å; F51-F59 HydrophobicContact CD2-CZ 3.39Å; F51-F59 HydrophobicContact CE2-CD2 4.14Å; F51-F59 AromaticContact CE2-CE2 3.34Å; F51-F59 HydrophobicContact CE2-CE2 3.34Å; F51-F59 AromaticContact CE2-CZ 3.68Å; F51-F59 HydrophobicContact CE2-CZ 3.68Å; L54-F59 HydrophobicContact CB-CD2 3.96Å; L54-F59 HydrophobicContact CB-CE2 3.98Å; L54-F59 HydrophobicContact CD1-CD2 3.4Å; L54-F59 HydrophobicContact CD1-CE2 3.66Å; L54-F59 HydrophobicContact CG-CD2 4.27Å; L54-F59 HydrophobicContact CG-CE2 4.37Å; F59-V61 HydrophobicContact CD1-CG1 3.48Å; F59-V61 VanDerWaalsContact CD1-CG1 3.48Å; F59-V61 HydrophobicContact CE1-CG1 3.13Å; F59-V61 HydrophobicContact CZ-CG1 4.1Å; F59-C78 CarbonylContact O-C 3.59Å; F59-C78 WeakPolarHBondContact O-CA 3.49Å; F59-W79 PolarHBondContact N-O 3.39Å; F59-W79 PolarHBondContact O-N 3.09Å; F59-I81 HydrophobicContact CB-CD1 4.23Å; F59-L93 HydrophobicContact CB-CD2 4.49Å; F59-L93 HydrophobicContact CD1-CD2 3.22Å; F59-L93 HydrophobicContact CD1-CG 4.28Å; F59-L93 HydrophobicContact CD2-CD2 4.39Å; F59-L93 HydrophobicContact CE1-CD2 3.28Å; F59-L93 HydrophobicContact CE1-CG 3.89Å; F59-L93 HydrophobicContact CE2-CD2 4.46Å; F59-L93 HydrophobicContact CG-CD2 3.81Å; F59-L93 HydrophobicContact CZ-CD2 3.95Å; F59-L93 HydrophobicContact CZ-CG 4.17Å; F59-M168 HydrophobicContact CE2-CE 3.37Å; F59-M168 HydrophobicContact CE2-SD 4.19Å; F59-M168 HydrophobicContact CZ-CE 3.36Å; F59-M168 HydrophobicContact CZ-SD 3.75Å |
| 60 | C | 93.2 | Very high | 88.7 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.02 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 122.3 | 179.4 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | V52 R53 G77 C78 | V52-C60 HydrophobicContact CB-CB 4.26Å; V52-C60 WeakPolarHBondContact CB-O 3.45Å; V52-C60 PolarHBondContact N-O 2.96Å; R53-C60 HydrophobicContact CG-CB 3.5Å; R53-C60 PolarHBondContact N-O 3.48Å; R53-C60 PolarHBondContact NE-SG 2.89Å; R53-C60 PolarHBondContact O-N 3.19Å; C60-G77 WeakPolarHBondContact CA-O 3.43Å; C60-C78 HydrophobicContact CB-CB 4.13Å; C60-C78 WeakPolarHBondContact CB-SG 3.42Å; C60-C78 WeakPolarHBondContact SG-CB 3.4Å; C60-C78 CovalentContact SG-SG 2.04Å; C60-C78 PolarHBondContact SG-SG 3.29Å |
| 61 | V | 91.8 | Very high | 88.5 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 156.1 | -179.2 | -71.9 | 0 | 0 | 0 | 0 | 111.7 | P50 F59 F64 Y75 G77 M86 | P50-V61 CarbonylContact O-C 3.28Å; P50-V61 WeakPolarHBondContact O-CA 3.49Å; P50-V61 WeakPolarHBondContact O-CB 3.42Å; F59-V61 HydrophobicContact CD1-CG1 3.48Å; F59-V61 VanDerWaalsContact CD1-CG1 3.48Å; F59-V61 HydrophobicContact CE1-CG1 3.13Å; F59-V61 HydrophobicContact CZ-CG1 4.1Å; V61-F64 HydrophobicContact CB-CB 3.72Å; V61-F64 HydrophobicContact CG1-CB 3.69Å; V61-F64 HydrophobicContact CG1-CD2 4.48Å; V61-F64 HydrophobicContact CG1-CG 4.14Å; V61-F64 HydrophobicContact CG2-CB 4.29Å; V61-Y75 WeakPolarHBondContact CG2-O 3.44Å; V61-G77 PolarHBondContact N-O 3.27Å; V61-G77 PolarHBondContact O-N 3.03Å; V61-M86 HydrophobicContact CG2-CE 3.61Å |
| 62 | N | 91.2 | Very high | 88.2 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 47% | 0.465 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 90.2 | 174.6 | -172.7 | 17.2 | 0 | 0 | 0 | 109.9 | P50 V52 Y76 | P50-N62 WeakPolarHBondContact CA-O 3.28Å; P50-N62 PolarHBondContact O-N 3.13Å; V52-N62 HydrophobicContact CG2-CB 3.86Å; N62-Y76 WeakPolarHBondContact OD1-CD1 3.46Å |
| 63 | G | 88.4 | Confident | 88 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 23% | 0.227 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.9 | 34.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | Y75 Y76 | G63-Y75 WeakPolarHBondContact CA-O 3.14Å; G63-Y75 PolarHBondContact N-O 3.21Å; G63-Y76 VanDerWaalsContact CA-CE1 3.41Å; G63-Y76 VanDerWaalsContact N-CD1 3.27Å |
| 64 | F | 88.4 | Confident | 87.8 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 10% | 0.096 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 128.6 | 175.7 | -177 | -91.2 | 0 | 0 | 0 | 110.4 | P50 V61 S74 Y75 I89 L93 P169 | P50-F64 HydrophobicContact CB-CB 4.17Å; P50-F64 HydrophobicContact CB-CD2 4.17Å; V61-F64 HydrophobicContact CB-CB 3.72Å; V61-F64 HydrophobicContact CG1-CB 3.69Å; V61-F64 HydrophobicContact CG1-CD2 4.48Å; V61-F64 HydrophobicContact CG1-CG 4.14Å; V61-F64 HydrophobicContact CG2-CB 4.29Å; F64-S74 WeakPolarHBondContact O-CA 3.38Å; F64-Y75 HydrophobicContact CD1-CD2 4.49Å; F64-Y75 PolarHBondContact N-O 3.48Å; F64-Y75 VanDerWaalsContact N-O 3.13Å; F64-Y75 WeakPolarHBondContact O-CD2 3.5Å; F64-Y75 PolarHBondContact O-N 2.93Å; F64-I89 HydrophobicContact CD1-CD1 4.12Å; F64-I89 HydrophobicContact CE1-CD1 4.21Å; F64-L93 HydrophobicContact CE1-CD1 4.04Å; F64-L93 HydrophobicContact CZ-CD1 4.38Å; F64-P169 HydrophobicContact CD2-CG 4.41Å; F64-P169 HydrophobicContact CE2-CG 4.1Å |
| 65 | V | 86.3 | Confident | 87.7 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 35% | 0.352 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.6 | 176.2 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | M72 | V65-M72 HydrophobicContact CG1-SD 4.23Å |
| 66 | Q | 81.9 | Confident | 87.6 | Confident | 46 Ų | 46 | 61.5 Ų | 61.5 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | trans | -65.3 | 142.5 | 179.2 | -176.5 | 179.1 | 4.4 | 0 | 0 | 110.7 | L68 D69 I89 D92 | Q66-L68 PolarHBondContact O-N 3.02Å; Q66-D69 HydrophobicContact CB-CB 4.12Å; Q66-D69 PolarHBondContact O-N 2.91Å; Q66-I89 HydrophobicContact CB-CG2 3.86Å; Q66-I89 HydrophobicContact CG-CG2 4.23Å; Q66-D92 WeakPolarHBondContact CG-OD2 3.28Å; Q66-D92 PolarHBondContact NE2-OD2 3.5Å | ||
| 67 | R | 77 | Confident | 87.6 | Confident | 141 Ų | 141 | 63.3 Ų | 63.3 | 53% | 0.532 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 125.6 | 173.5 | -63.3 | -178.4 | -171.9 | -175.2 | 4.6 | 108.2 | E165 | R67-E165 PolarHBondContact NH1-O 3.46Å; R67-E165 VanDerWaalsContact NH1-O 3.12Å; R67-E165 PolarHBondContact NH2-O 3.41Å |
| 68 | L | 78.4 | Confident | 87.5 | Confident | 177 Ų | 177 | 63.2 Ų | 63.2 | 93% | 0.927 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 19.8 | 178.8 | -48.9 | 160.9 | 0 | 0 | 0 | 115.7 | Q66 P70 | Q66-L68 PolarHBondContact O-N 3.02Å; L68-P70 VanDerWaalsContact O-CD 3.32Å; L68-P70 WeakPolarHBondContact O-CD 3.47Å |
| 69 | D | 79.2 | Confident | 87.5 | Confident | 18 Ų | 18 | 65.2 Ų | 65.2 | 10% | 0.096 | 35% | 0.347 | C | S | . | . | trans | -75.1 | 118.8 | 172.2 | -179.5 | 22.3 | 0 | 0 | 0 | 111.4 | Q66 N71 M72 V73 | Q66-D69 HydrophobicContact CB-CB 4.12Å; Q66-D69 PolarHBondContact O-N 2.91Å; D69-N71 PolarHBondContact O-N 2.84Å; D69-N71 PolarHBondContact OD1-N 3.29Å; D69-M72 PolarHBondContact O-N 2.82Å; D69-M72 PolarHBondContact OD2-N 2.96Å; D69-V73 PolarHBondContact OD2-N 3.38Å | ||
| 70 | P | 80.8 | Confident | 87.6 | Confident | 115 Ų | 115 | 71.7 Ų | 71.7 | 75% | 0.747 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -25 | 176.8 | 27.4 | -35.8 | 0 | 0 | 0 | 113.1 | L68 M72 | L68-P70 VanDerWaalsContact O-CD 3.32Å; L68-P70 WeakPolarHBondContact O-CD 3.47Å; P70-M72 VanDerWaalsContact C-N 3.35Å |
| 71 | N | 85.9 | Confident | 87.5 | Confident | 113 Ų | 113 | 72 Ų | 72 | 60% | 0.604 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -7.7 | -177.4 | -58.4 | -61.9 | 0 | 0 | 0 | 113 | D69 V73 | D69-N71 PolarHBondContact O-N 2.84Å; D69-N71 PolarHBondContact OD1-N 3.29Å; N71-V73 HydrophobicContact CB-CG2 3.81Å; N71-V73 PolarHBondContact O-N 2.88Å |
| 72 | M | 83.2 | Confident | 87.4 | Confident | 135 Ų | 135 | 77.8 Ų | 77.8 | 67% | 0.665 | 40% | 0.403 | S | S | * | . | trans | 48.6 | 42.6 | -177.9 | -61.5 | -67.5 | 174.9 | 0 | 0 | 112.8 | V65 D69 P70 S74 | V65-M72 HydrophobicContact CG1-SD 4.23Å; D69-M72 PolarHBondContact O-N 2.82Å; D69-M72 PolarHBondContact OD2-N 2.96Å; P70-M72 VanDerWaalsContact C-N 3.35Å; M72-S74 PolarHBondContact O-N 3.46Å | ||
| 73 | V | 87.9 | Confident | 87.4 | Confident | 55 Ų | 55 | 74.3 Ų | 74.3 | 33% | 0.333 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 120.6 | -179.1 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | D69 N71 Y75 | D69-V73 PolarHBondContact OD2-N 3.38Å; N71-V73 HydrophobicContact CB-CG2 3.81Å; N71-V73 PolarHBondContact O-N 2.88Å; V73-Y75 HydrophobicContact CG1-CE2 4.27Å |
| 74 | S | 88.7 | Confident | 87.5 | Confident | 44 Ų | 44 | 77.4 Ų | 77.4 | 31% | 0.308 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 130.6 | 176.2 | 58.3 | 0 | 0 | 0 | 0 | 112.1 | F64 M72 Y76 | F64-S74 WeakPolarHBondContact O-CA 3.38Å; M72-S74 PolarHBondContact O-N 3.46Å; S74-Y76 WeakPolarHBondContact OG-CE2 3.47Å |
| 75 | Y | 90.5 | Very high | 87.5 | Confident | 10 Ų | 10 | 80.7 Ų | 80.7 | 4% | 0.039 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 136.8 | -179.7 | -65.9 | -85.5 | 0 | 0 | 0 | 112.2 | V61 G63 F64 V73 Y85 M86 I89 | V61-Y75 WeakPolarHBondContact CG2-O 3.44Å; G63-Y75 WeakPolarHBondContact CA-O 3.14Å; G63-Y75 PolarHBondContact N-O 3.21Å; F64-Y75 HydrophobicContact CD1-CD2 4.49Å; F64-Y75 PolarHBondContact N-O 3.48Å; F64-Y75 VanDerWaalsContact N-O 3.13Å; F64-Y75 WeakPolarHBondContact O-CD2 3.5Å; F64-Y75 PolarHBondContact O-N 2.93Å; V73-Y75 HydrophobicContact CG1-CE2 4.27Å; Y75-Y85 AromaticContact CD1-CD1 3.98Å; Y75-Y85 HydrophobicContact CD1-CD1 3.98Å; Y75-Y85 AromaticContact CD1-CE1 3.52Å; Y75-Y85 HydrophobicContact CD1-CE1 3.52Å; Y75-Y85 HydrophobicContact CD1-CE2 4.36Å; Y75-Y85 AromaticContact CD1-CZ 3.71Å; Y75-Y85 HydrophobicContact CE1-CE1 4.37Å; Y75-Y85 VanDerWaalsContact CE1-O 3.3Å; Y75-Y85 WeakPolarHBondContact CE1-O 3.4Å; Y75-Y85 HydrophobicContact CG-CE1 4.39Å; Y75-M86 HydrophobicContact CD1-CE 4.17Å; Y75-M86 HydrophobicContact CD1-SD 3.39Å; Y75-M86 WeakPolarHBondContact CD1-SD 3.3Å; Y75-M86 HydrophobicContact CE1-SD 3.99Å; Y75-M86 HydrophobicContact CG-CE 4.4Å; Y75-M86 HydrophobicContact CG-SD 3.87Å; Y75-I89 HydrophobicContact CD1-CD1 4.27Å; Y75-I89 HydrophobicContact CD2-CD1 3.81Å; Y75-I89 HydrophobicContact CD2-CG2 4.27Å; Y75-I89 HydrophobicContact CE1-CD1 4.39Å; Y75-I89 HydrophobicContact CE2-CD1 3.93Å; Y75-I89 HydrophobicContact CE2-CG1 4.37Å; Y75-I89 HydrophobicContact CE2-CG2 3.48Å; Y75-I89 VanDerWaalsContact CE2-CG2 3.48Å; Y75-I89 HydrophobicContact CG-CD1 3.99Å |
| 76 | Y | 93 | Very high | 87.6 | Confident | 119 Ų | 119 | 78 Ų | 78 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149.7 | -178.6 | -62.4 | -86.6 | 0 | 0 | 0 | 112.9 | N62 G63 S74 W79 Y85 | N62-Y76 WeakPolarHBondContact OD1-CD1 3.46Å; G63-Y76 VanDerWaalsContact CA-CE1 3.41Å; G63-Y76 VanDerWaalsContact N-CD1 3.27Å; S74-Y76 WeakPolarHBondContact OG-CE2 3.47Å; Y76-W79 PolarHBondContact O-NE1 3.13Å; Y76-Y85 PolarHBondContact N-OH 3.26Å |
| 77 | G | 93.1 | Very high | 87.9 | Confident | 37 Ų | 37 | 84.5 Ų | 84.5 | 38% | 0.381 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 91.3 | -174.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | C60 V61 | C60-G77 WeakPolarHBondContact CA-O 3.43Å; V61-G77 PolarHBondContact N-O 3.27Å; V61-G77 PolarHBondContact O-N 3.03Å |
| 78 | C | 93.8 | Very high | 88.4 | Confident | 54 Ų | 54 | 85 Ų | 85 | 37% | 0.365 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124.8 | 177.8 | -65.4 | 0 | 0 | 0 | 0 | 109.8 | R53 F59 C60 | R53-C78 PolarHBondContact NH2-SG 2.99Å; R53-C78 VanDerWaalsContact NH2-SG 3.42Å; F59-C78 CarbonylContact O-C 3.59Å; F59-C78 WeakPolarHBondContact O-CA 3.49Å; C60-C78 HydrophobicContact CB-CB 4.13Å; C60-C78 WeakPolarHBondContact CB-SG 3.42Å; C60-C78 WeakPolarHBondContact SG-CB 3.4Å; C60-C78 CovalentContact SG-SG 2.04Å; C60-C78 PolarHBondContact SG-SG 3.29Å |
| 79 | W | 94.4 | Very high | 88.8 | Confident | 106 Ų | 106 | 76.6 Ų | 76.6 | 40% | 0.402 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 149.1 | -177.8 | -64.3 | 91.4 | 0 | 0 | 0 | 110.8 | E58 F59 Y76 Y85 M86 | E58-W79 WeakPolarHBondContact CA-O 3.13Å; F59-W79 PolarHBondContact N-O 3.39Å; F59-W79 PolarHBondContact O-N 3.09Å; Y76-W79 PolarHBondContact O-NE1 3.13Å; W79-Y85 AromaticContact CD1-CD1 3.73Å; W79-Y85 HydrophobicContact CD2-CD1 4.09Å; W79-Y85 AromaticContact CE2-CD1 3.73Å; W79-Y85 HydrophobicContact CG-CD1 4.07Å; W79-Y85 HydrophobicContact CZ2-CD1 4.33Å; W79-Y85 AromaticContact NE1-CD1 3.48Å; W79-Y85 AromaticContact NE1-CE1 3.55Å; W79-M86 HydrophobicContact CB-CE 4.4Å; W79-M86 HydrophobicContact CB-CG 4.33Å; W79-M86 HydrophobicContact CG-CE 4.25Å |
| 80 | W | 93.2 | Very high | 89.3 | Confident | 138 Ų | 138 | 78.7 Ų | 78.7 | 52% | 0.523 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 143.1 | 165.5 | -176.5 | -108.3 | 0 | 0 | 0 | 110.3 | W57 L82 S83 | W57-W80 HydrophobicContact CB-CD2 4.26Å; W57-W80 HydrophobicContact CB-CE3 3.64Å; W57-W80 HydrophobicContact CB-CH2 3.08Å; W57-W80 HydrophobicContact CB-CZ2 3.7Å; W57-W80 HydrophobicContact CB-CZ3 3.03Å; W57-W80 AromaticContact CD2-CH2 3.7Å; W57-W80 HydrophobicContact CD2-CH2 3.7Å; W57-W80 AromaticContact CD2-CZ2 3.85Å; W57-W80 HydrophobicContact CD2-CZ2 3.85Å; W57-W80 AromaticContact CE3-CH2 3.87Å; W57-W80 HydrophobicContact CE3-CH2 3.87Å; W57-W80 AromaticContact CE3-CZ2 3.49Å; W57-W80 HydrophobicContact CE3-CZ2 3.49Å; W57-W80 VanDerWaalsContact CE3-CZ2 3.49Å; W57-W80 AromaticContact CG-CH2 3.38Å; W57-W80 HydrophobicContact CG-CH2 3.38Å; W57-W80 AromaticContact CG-CZ2 3.97Å; W57-W80 HydrophobicContact CG-CZ2 3.97Å; W57-W80 AromaticContact CG-CZ3 3.84Å; W57-W80 HydrophobicContact CG-CZ3 3.84Å; W57-W80 HydrophobicContact CZ3-CZ2 4.38Å; W57-W80 CarbonylContact O-C 3.36Å; W57-W80 WeakPolarHBondContact O-CA 3.48Å; W57-W80 VanDerWaalsContact O-CD2 3.29Å; W80-L82 VanDerWaalsContact CD1-N 3.32Å; W80-L82 PolarHBondContact O-N 2.88Å; W80-S83 WeakPolarHBondContact O-CB 3.46Å; W80-S83 PolarHBondContact O-N 3.35Å |
| 81 | I | 90.1 | Very high | 89.6 | Confident | 9 Ų | 9 | 77.9 Ų | 77.9 | 5% | 0.046 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -34.1 | -172 | -162.1 | 67.6 | 0 | 0 | 0 | 112.7 | W57 F59 S83 F90 V94 | W57-I81 HydrophobicContact CE3-CG2 3.98Å; W57-I81 WeakPolarHBondContact O-CB 3.35Å; W57-I81 PolarHBondContact O-N 3.47Å; F59-I81 HydrophobicContact CB-CD1 4.23Å; I81-S83 VanDerWaalsContact C-N 3.32Å; I81-F90 HydrophobicContact CG1-CD2 4.3Å; I81-F90 HydrophobicContact CG1-CE2 3.98Å; I81-F90 WeakPolarHBondContact O-CD2 3.37Å; I81-V94 HydrophobicContact CD1-CG2 3.55Å; I81-V94 HydrophobicContact CG1-CG2 3.41Å; I81-V94 VanDerWaalsContact CG1-CG2 3.41Å |
| 82 | L | 90.2 | Very high | 89.6 | Confident | 128 Ų | 128 | 76.1 Ų | 76.1 | 67% | 0.67 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 17.1 | 176.3 | -165.3 | 57.6 | 0 | 0 | 0 | 112.8 | W80 | W80-L82 VanDerWaalsContact CD1-N 3.32Å; W80-L82 PolarHBondContact O-N 2.88Å |
| 83 | S | 91.5 | Very high | 89.8 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | trans | -59 | 137.6 | 177 | 175 | 0 | 0 | 0 | 0 | 110.3 | W80 I81 Y85 M86 R87 | W80-S83 WeakPolarHBondContact O-CB 3.46Å; W80-S83 PolarHBondContact O-N 3.35Å; I81-S83 VanDerWaalsContact C-N 3.32Å; S83-Y85 PolarHBondContact O-N 3.47Å; S83-Y85 PolarHBondContact OG-N 3.1Å; S83-M86 PolarHBondContact O-N 3.3Å; S83-R87 PolarHBondContact O-N 3.43Å | ||
| 84 | P | 90.7 | Very high | 89.9 | Confident | 88 Ų | 88 | 67.8 Ų | 67.8 | 57% | 0.571 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -56.4 | -25.4 | 175.1 | 23.1 | -33.7 | 0 | 0 | 0 | 112.8 | R87 | P84-R87 WeakPolarHBondContact O-CB 3.45Š|
| 85 | Y | 88.9 | Confident | 90.1 | Very high | 90 Ų | 90 | 67 Ų | 67 | 35% | 0.353 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -62.9 | -41.8 | 176.1 | -175.2 | -115.2 | 0 | 0 | 0 | 112.2 | Y75 Y76 W79 S83 | Y75-Y85 AromaticContact CD1-CD1 3.98Å; Y75-Y85 HydrophobicContact CD1-CD1 3.98Å; Y75-Y85 AromaticContact CD1-CE1 3.52Å; Y75-Y85 HydrophobicContact CD1-CE1 3.52Å; Y75-Y85 HydrophobicContact CD1-CE2 4.36Å; Y75-Y85 AromaticContact CD1-CZ 3.71Å; Y75-Y85 HydrophobicContact CE1-CE1 4.37Å; Y75-Y85 VanDerWaalsContact CE1-O 3.3Å; Y75-Y85 WeakPolarHBondContact CE1-O 3.4Å; Y75-Y85 HydrophobicContact CG-CE1 4.39Å; Y76-Y85 PolarHBondContact N-OH 3.26Å; W79-Y85 AromaticContact CD1-CD1 3.73Å; W79-Y85 HydrophobicContact CD2-CD1 4.09Å; W79-Y85 AromaticContact CE2-CD1 3.73Å; W79-Y85 HydrophobicContact CG-CD1 4.07Å; W79-Y85 HydrophobicContact CZ2-CD1 4.33Å; W79-Y85 AromaticContact NE1-CD1 3.48Å; W79-Y85 AromaticContact NE1-CE1 3.55Å; S83-Y85 PolarHBondContact O-N 3.47Å; S83-Y85 PolarHBondContact OG-N 3.1Å |
| 86 | M | 86.7 | Confident | 90.3 | Very high | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.015 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -93.3 | 6.9 | -176.4 | -60.8 | -58.8 | -169.3 | 0 | 0 | 113.7 | V61 Y75 W79 S83 K88 I89 F90 | V61-M86 HydrophobicContact CG2-CE 3.61Å; Y75-M86 HydrophobicContact CD1-CE 4.17Å; Y75-M86 HydrophobicContact CD1-SD 3.39Å; Y75-M86 WeakPolarHBondContact CD1-SD 3.3Å; Y75-M86 HydrophobicContact CE1-SD 3.99Å; Y75-M86 HydrophobicContact CG-CE 4.4Å; Y75-M86 HydrophobicContact CG-SD 3.87Å; W79-M86 HydrophobicContact CB-CE 4.4Å; W79-M86 HydrophobicContact CB-CG 4.33Å; W79-M86 HydrophobicContact CG-CE 4.25Å; S83-M86 PolarHBondContact O-N 3.3Å; M86-K88 VanDerWaalsContact C-N 3.27Å; M86-K88 PolarHBondContact O-N 3.49Å; M86-K88 VanDerWaalsContact O-N 3.16Å; M86-I89 HydrophobicContact CB-CD1 4.4Å; M86-I89 HydrophobicContact CB-CG1 4.11Å; M86-I89 HydrophobicContact CG-CD1 4.48Å; M86-I89 VanDerWaalsContact O-CG1 3.3Å; M86-I89 WeakPolarHBondContact O-CG1 3.3Å; M86-I89 PolarHBondContact O-N 2.97Å; M86-I89 VanDerWaalsContact O-N 3.14Å; M86-I89 HydrophobicContact SD-CD1 3.42Å; M86-I89 WeakPolarHBondContact SD-CD1 3.43Å; M86-I89 HydrophobicContact SD-CG1 4.11Å; M86-F90 PolarHBondContact O-N 3.36Å |
| 87 | R | 89.1 | Confident | 90.3 | Very high | 182 Ų | 182 | 70 Ų | 70 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -37.1 | -172.3 | -171 | -175 | -63.7 | 129.3 | -4.7 | 113.6 | S83 P84 | S83-R87 PolarHBondContact O-N 3.43Å; P84-R87 WeakPolarHBondContact O-CB 3.45Å |
| 88 | K | 87.4 | Confident | 90.4 | Very high | 151 Ų | 151 | 68.3 Ų | 68.3 | 66% | 0.657 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -37.2 | -178.8 | -67.8 | -174.5 | 179.3 | -178.5 | 0 | 113 | M86 | M86-K88 VanDerWaalsContact C-N 3.27Å; M86-K88 PolarHBondContact O-N 3.49Å; M86-K88 VanDerWaalsContact O-N 3.16Å |
| 89 | I | 87.6 | Confident | 90.5 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -6.4 | -175.7 | 61.1 | 169.8 | 0 | 0 | 0 | 112.9 | F64 Q66 Y75 M86 T91 D92 L93 | F64-I89 HydrophobicContact CD1-CD1 4.12Å; F64-I89 HydrophobicContact CE1-CD1 4.21Å; Q66-I89 HydrophobicContact CB-CG2 3.86Å; Q66-I89 HydrophobicContact CG-CG2 4.23Å; Y75-I89 HydrophobicContact CD1-CD1 4.27Å; Y75-I89 HydrophobicContact CD2-CD1 3.81Å; Y75-I89 HydrophobicContact CD2-CG2 4.27Å; Y75-I89 HydrophobicContact CE1-CD1 4.39Å; Y75-I89 HydrophobicContact CE2-CD1 3.93Å; Y75-I89 HydrophobicContact CE2-CG1 4.37Å; Y75-I89 HydrophobicContact CE2-CG2 3.48Å; Y75-I89 VanDerWaalsContact CE2-CG2 3.48Å; Y75-I89 HydrophobicContact CG-CD1 3.99Å; M86-I89 HydrophobicContact CB-CD1 4.4Å; M86-I89 HydrophobicContact CB-CG1 4.11Å; M86-I89 HydrophobicContact CG-CD1 4.48Å; M86-I89 VanDerWaalsContact O-CG1 3.3Å; M86-I89 WeakPolarHBondContact O-CG1 3.3Å; M86-I89 PolarHBondContact O-N 2.97Å; M86-I89 VanDerWaalsContact O-N 3.14Å; M86-I89 HydrophobicContact SD-CD1 3.42Å; M86-I89 WeakPolarHBondContact SD-CD1 3.43Å; M86-I89 HydrophobicContact SD-CG1 4.11Å; I89-T91 VanDerWaalsContact C-N 3.28Å; I89-T91 PolarHBondContact O-N 2.74Å; I89-D92 PolarHBondContact O-N 2.85Å; I89-L93 HydrophobicContact CB-CD1 3.62Å; I89-L93 HydrophobicContact CD1-CD1 3.47Å; I89-L93 VanDerWaalsContact CD1-CD1 3.47Å; I89-L93 HydrophobicContact CD1-CD2 4.08Å; I89-L93 HydrophobicContact CD1-CG 4.46Å; I89-L93 HydrophobicContact CG1-CD1 3.56Å; I89-L93 HydrophobicContact CG1-CD2 4.46Å; I89-L93 WeakPolarHBondContact O-CD1 3.48Å; I89-L93 PolarHBondContact O-N 3Å |
| 90 | F | 89.4 | Confident | 90.6 | Very high | 62 Ų | 62 | 66.6 Ų | 66.6 | 27% | 0.272 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -52.5 | -42.1 | -172.7 | 174.1 | -97.8 | 0 | 0 | 0 | 113.6 | I81 M86 D92 L93 V94 | I81-F90 HydrophobicContact CG1-CD2 4.3Å; I81-F90 HydrophobicContact CG1-CE2 3.98Å; I81-F90 WeakPolarHBondContact O-CD2 3.37Å; M86-F90 PolarHBondContact O-N 3.36Å; F90-D92 PolarHBondContact O-N 3.17Å; F90-L93 PolarHBondContact O-N 3.44Å; F90-V94 HydrophobicContact CD2-CG2 3.99Å; F90-V94 HydrophobicContact CE2-CB 4.09Å; F90-V94 HydrophobicContact CE2-CG2 3.63Å; F90-V94 HydrophobicContact CZ-CB 4.08Å; F90-V94 HydrophobicContact CZ-CG1 4.24Å; F90-V94 HydrophobicContact CZ-CG2 4.12Å; F90-V94 PolarHBondContact O-N 3.23Å |
| 91 | T | 87 | Confident | 90.8 | Very high | 99 Ų | 99 | 60 Ų | 60 | 61% | 0.607 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.6 | -30.1 | -179.6 | 50.1 | 0 | 0 | 0 | 0 | 113.1 | I89 | I89-T91 VanDerWaalsContact C-N 3.28Å; I89-T91 PolarHBondContact O-N 2.74Å |
| 92 | D | 85.6 | Confident | 91.1 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 40% | 0.401 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -84.1 | -36.2 | 179.2 | -61.3 | -9.6 | 0 | 0 | 0 | 110.5 | Q66 I89 F90 | Q66-D92 WeakPolarHBondContact CG-OD2 3.28Å; Q66-D92 PolarHBondContact NE2-OD2 3.5Å; I89-D92 PolarHBondContact O-N 2.85Å; F90-D92 PolarHBondContact O-N 3.17Å |
| 93 | L | 86.8 | Confident | 91.5 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.2 | -36.3 | 178.3 | -87.7 | 76.1 | 0 | 0 | 0 | 112.9 | F59 F64 I89 F90 P95 W167 | F59-L93 HydrophobicContact CB-CD2 4.49Å; F59-L93 HydrophobicContact CD1-CD2 3.22Å; F59-L93 HydrophobicContact CD1-CG 4.28Å; F59-L93 HydrophobicContact CD2-CD2 4.39Å; F59-L93 HydrophobicContact CE1-CD2 3.28Å; F59-L93 HydrophobicContact CE1-CG 3.89Å; F59-L93 HydrophobicContact CE2-CD2 4.46Å; F59-L93 HydrophobicContact CG-CD2 3.81Å; F59-L93 HydrophobicContact CZ-CD2 3.95Å; F59-L93 HydrophobicContact CZ-CG 4.17Å; F64-L93 HydrophobicContact CE1-CD1 4.04Å; F64-L93 HydrophobicContact CZ-CD1 4.38Å; I89-L93 HydrophobicContact CB-CD1 3.62Å; I89-L93 HydrophobicContact CD1-CD1 3.47Å; I89-L93 VanDerWaalsContact CD1-CD1 3.47Å; I89-L93 HydrophobicContact CD1-CD2 4.08Å; I89-L93 HydrophobicContact CD1-CG 4.46Å; I89-L93 HydrophobicContact CG1-CD1 3.56Å; I89-L93 HydrophobicContact CG1-CD2 4.46Å; I89-L93 WeakPolarHBondContact O-CD1 3.48Å; I89-L93 PolarHBondContact O-N 3Å; F90-L93 PolarHBondContact O-N 3.44Å; L93-P95 VanDerWaalsContact C-CD 3.41Å; L93-P95 WeakPolarHBondContact O-CD 3.44Å; L93-W167 PolarHBondContact O-NE1 3.02Å |
| 94 | V | 91.4 | Very high | 91.8 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -114.9 | 77.9 | -176 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | I81 F90 F98 L99 | I81-V94 HydrophobicContact CD1-CG2 3.55Å; I81-V94 HydrophobicContact CG1-CG2 3.41Å; I81-V94 VanDerWaalsContact CG1-CG2 3.41Å; F90-V94 HydrophobicContact CD2-CG2 3.99Å; F90-V94 HydrophobicContact CE2-CB 4.09Å; F90-V94 HydrophobicContact CE2-CG2 3.63Å; F90-V94 HydrophobicContact CZ-CB 4.08Å; F90-V94 HydrophobicContact CZ-CG1 4.24Å; F90-V94 HydrophobicContact CZ-CG2 4.12Å; F90-V94 PolarHBondContact O-N 3.23Å; V94-F98 HydrophobicContact CG1-CD1 4.15Å; V94-L99 HydrophobicContact CG1-CB 4.21Å |
| 95 | P | 92.6 | Very high | 92.1 | Very high | 27 Ų | 27 | 55.4 Ų | 55.4 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | trans | -63.9 | 158.6 | 173.6 | 29.4 | -36.8 | 0 | 0 | 0 | 110 | L93 W97 F98 L99 W167 | L93-P95 VanDerWaalsContact C-CD 3.41Å; L93-P95 WeakPolarHBondContact O-CD 3.44Å; P95-W97 VanDerWaalsContact C-N 3.25Å; P95-W97 HydrophobicContact CG-CD2 4.15Å; P95-W97 HydrophobicContact CG-CG 4.35Å; P95-W97 HydrophobicContact CG-CZ2 3.75Å; P95-W97 PolarHBondContact O-N 3.02Å; P95-W97 VanDerWaalsContact O-N 3.13Å; P95-F98 HydrophobicContact CG-CB 3.93Å; P95-F98 WeakPolarHBondContact O-CA 3.22Å; P95-F98 WeakPolarHBondContact O-CB 3.17Å; P95-F98 PolarHBondContact O-N 3.03Å; P95-L99 PolarHBondContact O-N 3.45Å; P95-L99 VanDerWaalsContact O-N 3.09Å; P95-W167 HydrophobicContact CG-CD2 4.39Å; P95-W167 HydrophobicContact CG-CG 4.12Å | ||
| 96 | F | 93.3 | Very high | 92.6 | Very high | 157 Ų | 157 | 52.9 Ų | 52.9 | 69% | 0.689 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -52.6 | -40.4 | -175.6 | 176.8 | -106.3 | 0 | 0 | 0 | 113.8 | F98 L99 I100 | F96-F98 VanDerWaalsContact C-N 3.28Å; F96-F98 PolarHBondContact O-N 3.32Å; F96-L99 WeakPolarHBondContact O-CB 3.48Å; F96-L99 PolarHBondContact O-N 2.98Å; F96-I100 HydrophobicContact CD1-CD1 3.85Å; F96-I100 HydrophobicContact CE1-CD1 3.33Å; F96-I100 HydrophobicContact CE1-CG1 4.18Å; F96-I100 HydrophobicContact CZ-CD1 3.72Å; F96-I100 HydrophobicContact CZ-CG1 4.17Å; F96-I100 PolarHBondContact O-N 3.36Å |
| 97 | W | 94.7 | Very high | 93.1 | Very high | 36 Ų | 36 | 55.9 Ų | 55.9 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -32.3 | 178.2 | 66.7 | -103 | 0 | 0 | 0 | 112.5 | P95 I100 I101 I157 F158 N161 W167 | P95-W97 VanDerWaalsContact C-N 3.25Å; P95-W97 HydrophobicContact CG-CD2 4.15Å; P95-W97 HydrophobicContact CG-CG 4.35Å; P95-W97 HydrophobicContact CG-CZ2 3.75Å; P95-W97 PolarHBondContact O-N 3.02Å; P95-W97 VanDerWaalsContact O-N 3.13Å; W97-I100 PolarHBondContact O-N 3.05Å; W97-I101 HydrophobicContact CE3-CD1 3.56Å; W97-I101 HydrophobicContact CZ3-CD1 3.51Å; W97-I101 PolarHBondContact O-N 3.39Å; W97-I157 HydrophobicContact CB-CG2 4.03Å; W97-I157 HydrophobicContact CE3-CG2 4.03Å; W97-F158 HydrophobicContact CH2-CD2 4.39Å; W97-F158 HydrophobicContact CZ3-CD2 4.04Å; W97-N161 HydrophobicContact CD2-CB 3.61Å; W97-N161 HydrophobicContact CE3-CB 3.84Å; W97-N161 HydrophobicContact CG-CB 4.15Å; W97-N161 HydrophobicContact CH2-CB 4.04Å; W97-N161 HydrophobicContact CZ2-CB 3.81Å; W97-N161 HydrophobicContact CZ3-CB 4.05Å; W97-W167 HydrophobicContact CH2-CD2 4.15Å; W97-W167 AromaticContact CH2-CE3 3.74Å; W97-W167 HydrophobicContact CH2-CE3 3.74Å; W97-W167 AromaticContact CH2-CH2 3.42Å; W97-W167 HydrophobicContact CH2-CH2 3.42Å; W97-W167 VanDerWaalsContact CH2-CH2 3.42Å; W97-W167 AromaticContact CH2-CZ2 3.89Å; W97-W167 HydrophobicContact CH2-CZ2 3.89Å; W97-W167 AromaticContact CH2-CZ3 3.37Å; W97-W167 HydrophobicContact CH2-CZ3 3.37Å; W97-W167 AromaticContact CZ2-CD2 3.55Å; W97-W167 HydrophobicContact CZ2-CD2 3.55Å; W97-W167 AromaticContact CZ2-CE2 3.84Å; W97-W167 AromaticContact CZ2-CE3 3.45Å; W97-W167 HydrophobicContact CZ2-CE3 3.45Å; W97-W167 VanDerWaalsContact CZ2-CE3 3.45Å; W97-W167 HydrophobicContact CZ2-CG 4.2Å; W97-W167 AromaticContact CZ2-CH2 3.87Å; W97-W167 HydrophobicContact CZ2-CH2 3.87Å; W97-W167 AromaticContact CZ2-CZ2 3.99Å; W97-W167 HydrophobicContact CZ2-CZ2 3.99Å; W97-W167 AromaticContact CZ2-CZ3 3.62Å; W97-W167 HydrophobicContact CZ2-CZ3 3.62Å |
| 98 | F | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76 | -35.8 | 177.5 | -169.7 | -111.6 | 0 | 0 | 0 | 111.1 | L54 L56 V94 P95 F96 I100 I101 Q102 F158 W167 | L54-F98 HydrophobicContact CD1-CE1 4.01Å; L54-F98 HydrophobicContact CD1-CZ 3.82Å; L54-F98 HydrophobicContact CD2-CE2 4Å; L54-F98 HydrophobicContact CD2-CZ 3.93Å; L54-F98 HydrophobicContact CG-CZ 4.09Å; L56-F98 HydrophobicContact CD1-CZ 4.48Å; V94-F98 HydrophobicContact CG1-CD1 4.15Å; P95-F98 HydrophobicContact CG-CB 3.93Å; P95-F98 WeakPolarHBondContact O-CA 3.22Å; P95-F98 WeakPolarHBondContact O-CB 3.17Å; P95-F98 PolarHBondContact O-N 3.03Å; F96-F98 VanDerWaalsContact C-N 3.28Å; F96-F98 PolarHBondContact O-N 3.32Å; F98-I100 VanDerWaalsContact C-N 3.31Å; F98-I100 PolarHBondContact O-N 3.36Å; F98-I101 HydrophobicContact CD2-CD1 4.26Å; F98-I101 WeakPolarHBondContact O-CB 3.47Å; F98-I101 PolarHBondContact O-N 2.88Å; F98-I101 VanDerWaalsContact O-N 3.14Å; F98-Q102 HydrophobicContact CD1-CG 4.47Å; F98-Q102 HydrophobicContact CE1-CG 4.29Å; F98-Q102 PolarHBondContact O-N 3.42Å; F98-F158 HydrophobicContact CE2-CD2 4.49Å; F98-F158 HydrophobicContact CE2-CE2 4.41Å; F98-W167 HydrophobicContact CD2-CH2 4.27Å; F98-W167 HydrophobicContact CD2-CZ2 4.24Å; F98-W167 HydrophobicContact CE2-CH2 4.48Å; F98-W167 HydrophobicContact CG-CZ2 4.25Å |
| 99 | L | 95.2 | Very high | 94.1 | Very high | 77 Ų | 77 | 41 Ų | 41 | 40% | 0.403 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.5 | -42 | 170.4 | -174.8 | 66.2 | 0 | 0 | 0 | 111.4 | V94 P95 F96 I101 Q102 V103 | V94-L99 HydrophobicContact CG1-CB 4.21Å; P95-L99 PolarHBondContact O-N 3.45Å; P95-L99 VanDerWaalsContact O-N 3.09Å; F96-L99 WeakPolarHBondContact O-CB 3.48Å; F96-L99 PolarHBondContact O-N 2.98Å; L99-I101 VanDerWaalsContact C-N 3.31Å; L99-I101 PolarHBondContact O-N 3.46Å; L99-Q102 WeakPolarHBondContact O-CB 3.29Å; L99-Q102 PolarHBondContact O-N 2.91Å; L99-V103 WeakPolarHBondContact O-CG2 3.29Å; L99-V103 PolarHBondContact O-N 2.72Å |
| 100 | I | 97.2 | Very high | 94.6 | Very high | 47 Ų | 47 | 44.6 Ų | 44.6 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.9 | -46.4 | 173.5 | -70.2 | 168.4 | 0 | 0 | 0 | 110.5 | F96 W97 F98 Q102 V103 M104 I157 | F96-I100 HydrophobicContact CD1-CD1 3.85Å; F96-I100 HydrophobicContact CE1-CD1 3.33Å; F96-I100 HydrophobicContact CE1-CG1 4.18Å; F96-I100 HydrophobicContact CZ-CD1 3.72Å; F96-I100 HydrophobicContact CZ-CG1 4.17Å; F96-I100 PolarHBondContact O-N 3.36Å; W97-I100 PolarHBondContact O-N 3.05Å; F98-I100 VanDerWaalsContact C-N 3.31Å; F98-I100 PolarHBondContact O-N 3.36Å; I100-Q102 PolarHBondContact O-N 2.68Å; I100-V103 PolarHBondContact O-N 3.39Å; I100-M104 HydrophobicContact CG2-CE 4.19Å; I100-M104 HydrophobicContact CG2-CG 3.89Å; I100-M104 WeakPolarHBondContact O-CB 3.44Å; I100-M104 WeakPolarHBondContact O-CG 3.3Å; I100-M104 PolarHBondContact O-N 3.14Å; I100-I157 HydrophobicContact CG2-CD1 4.05Å |
| 101 | I | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59 | -47 | 178 | -67.7 | 161.8 | 0 | 0 | 0 | 110.8 | W40 W97 F98 L99 V103 M104 V105 I157 F158 | W40-I101 HydrophobicContact CH2-CG2 4.2Å; W40-I101 HydrophobicContact CZ3-CG2 4.11Å; W97-I101 HydrophobicContact CE3-CD1 3.56Å; W97-I101 HydrophobicContact CZ3-CD1 3.51Å; W97-I101 PolarHBondContact O-N 3.39Å; F98-I101 HydrophobicContact CD2-CD1 4.26Å; F98-I101 WeakPolarHBondContact O-CB 3.47Å; F98-I101 PolarHBondContact O-N 2.88Å; F98-I101 VanDerWaalsContact O-N 3.14Å; L99-I101 VanDerWaalsContact C-N 3.31Å; L99-I101 PolarHBondContact O-N 3.46Å; I101-V103 VanDerWaalsContact C-N 3.31Å; I101-V103 PolarHBondContact O-N 2.72Å; I101-M104 PolarHBondContact O-N 3.41Å; I101-V105 HydrophobicContact CG2-CG2 4.01Å; I101-V105 WeakPolarHBondContact O-CB 3.43Å; I101-V105 VanDerWaalsContact O-CG2 3.23Å; I101-V105 WeakPolarHBondContact O-CG2 3.25Å; I101-V105 PolarHBondContact O-N 3.42Å; I101-I157 HydrophobicContact CD1-CB 4.35Å; I101-I157 HydrophobicContact CD1-CG2 3.95Å; I101-I157 HydrophobicContact CG1-CB 4.32Å; I101-I157 HydrophobicContact CG1-CG2 4.12Å; I101-F158 HydrophobicContact CD1-CB 3.73Å; I101-F158 HydrophobicContact CD1-CD2 4.15Å; I101-F158 HydrophobicContact CD1-CG 4.46Å |
| 102 | Q | 96.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.4 | -45.2 | 177.5 | -70.2 | 169.9 | -22.5 | 0 | 0 | 111.5 | L56 W57 F98 L99 I100 T106 | L56-Q102 HydrophobicContact CG-CG 4.32Å; L56-Q102 PolarHBondContact O-NE2 2.97Å; W57-Q102 HydrophobicContact CH2-CB 4.19Å; W57-Q102 HydrophobicContact CZ2-CB 4.15Å; F98-Q102 HydrophobicContact CD1-CG 4.47Å; F98-Q102 HydrophobicContact CE1-CG 4.29Å; F98-Q102 PolarHBondContact O-N 3.42Å; L99-Q102 WeakPolarHBondContact O-CB 3.29Å; L99-Q102 PolarHBondContact O-N 2.91Å; I100-Q102 PolarHBondContact O-N 2.68Å; Q102-T106 WeakPolarHBondContact O-CB 3.24Å; Q102-T106 VanDerWaalsContact O-CG2 3.26Å; Q102-T106 WeakPolarHBondContact O-CG2 3.49Å; Q102-T106 PolarHBondContact O-N 3.37Å; Q102-T106 PolarHBondContact O-OG1 2.82Å |
| 103 | V | 97.4 | Very high | 96.1 | Very high | 73 Ų | 73 | 38.7 Ų | 38.7 | 44% | 0.442 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.3 | -45.3 | 177.9 | 179 | 0 | 0 | 0 | 0 | 112 | L99 I100 I101 V105 T106 V107 | L99-V103 WeakPolarHBondContact O-CG2 3.29Å; L99-V103 PolarHBondContact O-N 2.72Å; I100-V103 PolarHBondContact O-N 3.39Å; I101-V103 VanDerWaalsContact C-N 3.31Å; I101-V103 PolarHBondContact O-N 2.72Å; V103-V105 PolarHBondContact O-N 2.93Å; V103-T106 VanDerWaalsContact C-OG1 3.32Å; V103-T106 VanDerWaalsContact CA-OG1 3.3Å; V103-T106 WeakPolarHBondContact CA-OG1 3.44Å; V103-T106 PolarHBondContact O-N 2.95Å; V103-T106 PolarHBondContact O-OG1 3.24Å; V103-V107 HydrophobicContact CG1-CG2 4.41Å; V103-V107 VanDerWaalsContact O-CG2 3.29Å; V103-V107 WeakPolarHBondContact O-CG2 3.29Å; V103-V107 PolarHBondContact O-N 2.99Å |
| 104 | M | 97.9 | Very high | 96.6 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 30% | 0.3 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67 | -39.6 | -177.9 | -65.9 | -61.1 | 169.3 | 0 | 0 | 112 | I100 I101 S108 L150 S154 | I100-M104 HydrophobicContact CG2-CE 4.19Å; I100-M104 HydrophobicContact CG2-CG 3.89Å; I100-M104 WeakPolarHBondContact O-CB 3.44Å; I100-M104 WeakPolarHBondContact O-CG 3.3Å; I100-M104 PolarHBondContact O-N 3.14Å; I101-M104 PolarHBondContact O-N 3.41Å; M104-S108 WeakPolarHBondContact O-CB 3.46Å; M104-S108 PolarHBondContact O-N 3.27Å; M104-S108 PolarHBondContact O-OG 2.87Å; M104-L150 HydrophobicContact SD-CD2 3.46Å; M104-L150 WeakPolarHBondContact SD-CD2 3.43Å; M104-S154 WeakPolarHBondContact CB-OG 3.44Å |
| 105 | V | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.1 | -38.1 | 176.9 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | L31 F35 W40 L56 I101 V103 S108 L109 I151 | L31-V105 HydrophobicContact CD1-CG1 4.05Å; F35-V105 HydrophobicContact CD2-CG1 3.9Å; W40-V105 HydrophobicContact CH2-CG2 4.3Å; L56-V105 HydrophobicContact CD2-CB 3.76Å; L56-V105 HydrophobicContact CD2-CG1 3.66Å; L56-V105 HydrophobicContact CD2-CG2 4.11Å; I101-V105 HydrophobicContact CG2-CG2 4.01Å; I101-V105 WeakPolarHBondContact O-CB 3.43Å; I101-V105 VanDerWaalsContact O-CG2 3.23Å; I101-V105 WeakPolarHBondContact O-CG2 3.25Å; I101-V105 PolarHBondContact O-N 3.42Å; V103-V105 PolarHBondContact O-N 2.93Å; V105-S108 WeakPolarHBondContact O-CB 3.28Å; V105-S108 PolarHBondContact O-N 3.44Å; V105-L109 WeakPolarHBondContact O-CB 3.38Å; V105-L109 PolarHBondContact O-N 3.04Å; V105-I151 HydrophobicContact CB-CD1 4.46Å; V105-I151 HydrophobicContact CG1-CD1 4.27Å; V105-I151 HydrophobicContact CG2-CD1 4.05Å |
| 106 | T | 97.9 | Very high | 97 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 23% | 0.233 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 173.6 | 43.3 | 0 | 0 | 0 | 0 | 112.3 | F35 W57 Q102 V103 S108 L109 C110 | F35-T106 HydrophobicContact CE2-CG2 3.4Å; F35-T106 HydrophobicContact CZ-CG2 3.64Å; W57-T106 HydrophobicContact CH2-CG2 4.26Å; W57-T106 HydrophobicContact CZ2-CG2 3.49Å; W57-T106 VanDerWaalsContact CZ2-CG2 3.49Å; Q102-T106 WeakPolarHBondContact O-CB 3.24Å; Q102-T106 VanDerWaalsContact O-CG2 3.26Å; Q102-T106 WeakPolarHBondContact O-CG2 3.49Å; Q102-T106 PolarHBondContact O-N 3.37Å; Q102-T106 PolarHBondContact O-OG1 2.82Å; V103-T106 VanDerWaalsContact C-OG1 3.32Å; V103-T106 VanDerWaalsContact CA-OG1 3.3Å; V103-T106 WeakPolarHBondContact CA-OG1 3.44Å; V103-T106 PolarHBondContact O-N 2.95Å; V103-T106 PolarHBondContact O-OG1 3.24Å; T106-S108 VanDerWaalsContact C-N 3.28Å; T106-S108 PolarHBondContact O-N 2.97Å; T106-L109 WeakPolarHBondContact O-CB 3.48Å; T106-L109 PolarHBondContact O-N 3.47Å; T106-L109 VanDerWaalsContact O-N 3.14Å; T106-C110 PolarHBondContact O-N 3.29Å; T106-C110 PolarHBondContact O-SG 2.98Å; T106-C110 VanDerWaalsContact O-SG 3.36Å |
| 107 | V | 98.4 | Very high | 97.1 | Very high | 66 Ų | 66 | 37.1 Ų | 37.1 | 40% | 0.4 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | V103 L109 C110 L111 L150 | V103-V107 HydrophobicContact CG1-CG2 4.41Å; V103-V107 VanDerWaalsContact O-CG2 3.29Å; V103-V107 WeakPolarHBondContact O-CG2 3.29Å; V103-V107 PolarHBondContact O-N 2.99Å; V107-L109 VanDerWaalsContact C-N 3.34Å; V107-L109 PolarHBondContact O-N 2.89Å; V107-C110 PolarHBondContact O-N 2.85Å; V107-L111 HydrophobicContact CG1-CD1 4.15Å; V107-L111 WeakPolarHBondContact O-CG 3.25Å; V107-L111 PolarHBondContact O-N 3.36Å; V107-L150 HydrophobicContact CB-CD1 4.27Å; V107-L150 HydrophobicContact CG1-CD1 3.73Å |
| 108 | S | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.2 | -42.2 | 174.6 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | M104 V105 T106 L111 Q112 S147 L150 | M104-S108 WeakPolarHBondContact O-CB 3.46Å; M104-S108 PolarHBondContact O-N 3.27Å; M104-S108 PolarHBondContact O-OG 2.87Å; V105-S108 WeakPolarHBondContact O-CB 3.28Å; V105-S108 PolarHBondContact O-N 3.44Å; T106-S108 VanDerWaalsContact C-N 3.28Å; T106-S108 PolarHBondContact O-N 2.97Å; S108-L111 PolarHBondContact O-N 3.39Å; S108-Q112 WeakPolarHBondContact O-CB 3.36Å; S108-Q112 VanDerWaalsContact O-CG 3.26Å; S108-Q112 WeakPolarHBondContact O-CG 3.4Å; S108-Q112 PolarHBondContact O-N 3Å; S108-S147 PolarHBondContact O-OG 3.35Å; S108-L150 WeakPolarHBondContact OG-CB 3.36Å |
| 109 | L | 98.1 | Very high | 97 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 177.5 | 179.9 | 63.2 | 0 | 0 | 0 | 111.3 | F28 L31 I32 F35 V105 T106 V107 L111 Q112 I113 | F28-L109 HydrophobicContact CE2-CD1 4.33Å; L31-L109 HydrophobicContact CD2-CB 4.17Å; L31-L109 HydrophobicContact CD2-CD1 4.21Å; L31-L109 HydrophobicContact CG-CD1 4.23Å; I32-L109 HydrophobicContact CG1-CD1 3.65Å; F35-L109 HydrophobicContact CB-CD2 4.31Å; F35-L109 HydrophobicContact CD1-CD2 3.63Å; F35-L109 HydrophobicContact CD2-CD2 4.12Å; F35-L109 HydrophobicContact CE1-CD2 3.87Å; F35-L109 HydrophobicContact CE2-CD2 4.32Å; F35-L109 HydrophobicContact CG-CD2 3.75Å; F35-L109 HydrophobicContact CZ-CD2 4.2Å; V105-L109 WeakPolarHBondContact O-CB 3.38Å; V105-L109 PolarHBondContact O-N 3.04Å; T106-L109 WeakPolarHBondContact O-CB 3.48Å; T106-L109 PolarHBondContact O-N 3.47Å; T106-L109 VanDerWaalsContact O-N 3.14Å; V107-L109 VanDerWaalsContact C-N 3.34Å; V107-L109 PolarHBondContact O-N 2.89Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L109-L111 PolarHBondContact O-N 3.23Å; L109-Q112 PolarHBondContact O-N 3.01Å; L109-I113 HydrophobicContact CG-CD1 4.27Å; L109-I113 WeakPolarHBondContact O-CG1 3.36Å; L109-I113 PolarHBondContact O-N 2.97Å |
| 110 | C | 98.4 | Very high | 96.8 | Very high | 77 Ų | 77 | 36.3 Ų | 36.3 | 52% | 0.52 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.1 | -45.1 | 174.8 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | T106 V107 Q112 I113 V114 | T106-C110 PolarHBondContact O-N 3.29Å; T106-C110 PolarHBondContact O-SG 2.98Å; T106-C110 VanDerWaalsContact O-SG 3.36Å; V107-C110 PolarHBondContact O-N 2.85Å; C110-Q112 VanDerWaalsContact C-N 3.32Å; C110-Q112 PolarHBondContact O-N 2.86Å; C110-I113 PolarHBondContact O-N 2.97Å; C110-V114 WeakPolarHBondContact O-CG2 3.42Å; C110-V114 PolarHBondContact O-N 2.76Å |
| 111 | L | 98.1 | Very high | 96.5 | Very high | 34 Ų | 34 | 36 Ų | 36 | 18% | 0.178 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -38.6 | 176.2 | -71 | 170.5 | 0 | 0 | 0 | 112.2 | V107 S108 L109 V114 A115 C143 C146 S147 L150 | V107-L111 HydrophobicContact CG1-CD1 4.15Å; V107-L111 WeakPolarHBondContact O-CG 3.25Å; V107-L111 PolarHBondContact O-N 3.36Å; S108-L111 PolarHBondContact O-N 3.39Å; L109-L111 VanDerWaalsContact C-N 3.35Å; L109-L111 PolarHBondContact O-N 3.23Å; L111-V114 PolarHBondContact O-N 3.44Å; L111-A115 WeakPolarHBondContact O-CB 3.47Å; L111-A115 PolarHBondContact O-N 3.49Å; L111-C143 HydrophobicContact CB-CB 4.46Å; L111-C146 HydrophobicContact CD1-CB 3.91Å; L111-S147 WeakPolarHBondContact CB-OG 3.08Å; L111-L150 HydrophobicContact CD1-CD1 3.93Å |
| 112 | Q | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.1 | -37.2 | 176.3 | -72.1 | -78.7 | 24.7 | 0 | 0 | 112.6 | F28 L31 S108 L109 C110 V114 A115 V116 H144 S190 | F28-Q112 HydrophobicContact CD2-CB 4.09Å; L31-Q112 HydrophobicContact CD2-CB 4.25Å; L31-Q112 HydrophobicContact CD2-CG 3.73Å; S108-Q112 WeakPolarHBondContact O-CB 3.36Å; S108-Q112 VanDerWaalsContact O-CG 3.26Å; S108-Q112 WeakPolarHBondContact O-CG 3.4Å; S108-Q112 PolarHBondContact O-N 3Å; L109-Q112 PolarHBondContact O-N 3.01Å; C110-Q112 VanDerWaalsContact C-N 3.32Å; C110-Q112 PolarHBondContact O-N 2.86Å; Q112-V114 VanDerWaalsContact C-N 3.34Å; Q112-A115 WeakPolarHBondContact O-CB 3.2Å; Q112-A115 PolarHBondContact O-N 3.27Å; Q112-V116 WeakPolarHBondContact O-CG2 3.37Å; Q112-V116 PolarHBondContact O-N 2.92Å; Q112-H144 PolarHBondContact OE1-CE1 3.34Å; Q112-H144 PolarHBondContact OE1-ND1 3.31Å; Q112-S190 PolarHBondContact NE2-OG 3.4Å |
| 113 | I | 98 | Very high | 95.6 | Very high | 76 Ų | 76 | 41.2 Ų | 41.2 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 172.3 | -68.5 | 167.2 | 0 | 0 | 0 | 109.9 | F28 L109 C110 A115 V116 V117 | F28-I113 HydrophobicContact CE2-CG1 3.7Å; F28-I113 HydrophobicContact CZ-CG1 4.28Å; L109-I113 HydrophobicContact CG-CD1 4.27Å; L109-I113 WeakPolarHBondContact O-CG1 3.36Å; L109-I113 PolarHBondContact O-N 2.97Å; C110-I113 PolarHBondContact O-N 2.97Å; I113-A115 VanDerWaalsContact C-N 3.32Å; I113-A115 PolarHBondContact O-N 3.31Å; I113-V116 PolarHBondContact O-N 2.71Å; I113-V117 HydrophobicContact CG2-CG2 4.34Å; I113-V117 WeakPolarHBondContact O-CB 3.44Å; I113-V117 VanDerWaalsContact O-CG2 3.3Å; I113-V117 WeakPolarHBondContact O-CG2 3.3Å; I113-V117 PolarHBondContact O-N 2.72Å |
| 114 | V | 97.5 | Very high | 95 | Very high | 65 Ų | 65 | 42 Ų | 42 | 39% | 0.394 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.1 | -42.9 | 175.6 | 174.7 | 0 | 0 | 0 | 0 | 111 | C110 L111 Q112 V117 T118 | C110-V114 WeakPolarHBondContact O-CG2 3.42Å; C110-V114 PolarHBondContact O-N 2.76Å; L111-V114 PolarHBondContact O-N 3.44Å; Q112-V114 VanDerWaalsContact C-N 3.34Å; V114-V117 PolarHBondContact O-N 3.28Å; V114-T118 HydrophobicContact CG1-CG2 4.28Å; V114-T118 WeakPolarHBondContact O-CB 3.41Å; V114-T118 VanDerWaalsContact O-CG2 3.23Å; V114-T118 WeakPolarHBondContact O-CG2 3.31Å; V114-T118 PolarHBondContact O-N 2.92Å; V114-T118 PolarHBondContact O-OG1 2.96Å |
| 115 | A | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L111 Q112 I113 T118 L119 C143 | L111-A115 WeakPolarHBondContact O-CB 3.47Å; L111-A115 PolarHBondContact O-N 3.49Å; Q112-A115 WeakPolarHBondContact O-CB 3.2Å; Q112-A115 PolarHBondContact O-N 3.27Å; I113-A115 VanDerWaalsContact C-N 3.32Å; I113-A115 PolarHBondContact O-N 3.31Å; A115-T118 WeakPolarHBondContact CA-OG1 3.23Å; A115-T118 PolarHBondContact O-OG1 2.87Å; A115-L119 VanDerWaalsContact O-CB 3.23Å; A115-L119 WeakPolarHBondContact O-CB 3.26Å; A115-L119 PolarHBondContact O-N 3.45Å; A115-C143 HydrophobicContact CB-CB 3.89Å |
| 116 | V | 96.5 | Very high | 92.3 | Very high | 13 Ų | 13 | 58.5 Ų | 58.5 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.7 | -43.5 | 178.9 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | T24 Y25 F28 Q112 I113 T118 L119 I120 | T24-V116 HydrophobicContact CG2-CG2 4.18Å; Y25-V116 HydrophobicContact CE1-CG1 4.26Å; F28-V116 HydrophobicContact CB-CG2 3.91Å; F28-V116 HydrophobicContact CD1-CG2 4.16Å; F28-V116 HydrophobicContact CD2-CG2 4.12Å; F28-V116 HydrophobicContact CG-CG2 3.8Å; Q112-V116 WeakPolarHBondContact O-CG2 3.37Å; Q112-V116 PolarHBondContact O-N 2.92Å; I113-V116 PolarHBondContact O-N 2.71Å; V116-T118 PolarHBondContact O-N 3.02Å; V116-L119 WeakPolarHBondContact O-CB 3.44Å; V116-L119 PolarHBondContact O-N 3.49Å; V116-I120 HydrophobicContact CG1-CD1 3.9Å; V116-I120 HydrophobicContact CG1-CG1 4.5Å; V116-I120 VanDerWaalsContact O-CG1 3.3Å; V116-I120 WeakPolarHBondContact O-CG1 3.44Å; V116-I120 PolarHBondContact O-N 2.86Å |
| 117 | V | 95.4 | Very high | 90.9 | Very high | 89 Ų | 89 | 57.8 Ų | 57.8 | 54% | 0.539 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 177.7 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | I113 V114 L119 I120 A121 | I113-V117 HydrophobicContact CG2-CG2 4.34Å; I113-V117 WeakPolarHBondContact O-CB 3.44Å; I113-V117 VanDerWaalsContact O-CG2 3.3Å; I113-V117 WeakPolarHBondContact O-CG2 3.3Å; I113-V117 PolarHBondContact O-N 2.72Å; V114-V117 PolarHBondContact O-N 3.28Å; V117-L119 VanDerWaalsContact C-N 3.32Å; V117-L119 PolarHBondContact O-N 2.93Å; V117-I120 PolarHBondContact O-N 3.43Å; V117-A121 WeakPolarHBondContact O-CB 3.29Å; V117-A121 PolarHBondContact O-N 2.84Å |
| 118 | T | 93.1 | Very high | 89.5 | Confident | 15 Ų | 15 | 64 Ų | 64 | 9% | 0.092 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.3 | -34.8 | 176.4 | 52.5 | 0 | 0 | 0 | 0 | 112.1 | V114 A115 V116 A121 Y122 F136 L139 I140 | V114-T118 HydrophobicContact CG1-CG2 4.28Å; V114-T118 WeakPolarHBondContact O-CB 3.41Å; V114-T118 VanDerWaalsContact O-CG2 3.23Å; V114-T118 WeakPolarHBondContact O-CG2 3.31Å; V114-T118 PolarHBondContact O-N 2.92Å; V114-T118 PolarHBondContact O-OG1 2.96Å; A115-T118 WeakPolarHBondContact CA-OG1 3.23Å; A115-T118 PolarHBondContact O-OG1 2.87Å; V116-T118 PolarHBondContact O-N 3.02Å; T118-A121 PolarHBondContact O-N 2.8Å; T118-Y122 WeakPolarHBondContact O-CB 3.38Å; T118-Y122 PolarHBondContact O-N 3.34Å; T118-F136 HydrophobicContact CG2-CD1 4.29Å; T118-L139 HydrophobicContact CG2-CD2 3.84Å; T118-I140 VanDerWaalsContact OG1-CG1 3.26Å; T118-I140 WeakPolarHBondContact OG1-CG1 3.25Å |
| 119 | L | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.2 | -46.4 | 173.1 | -170.4 | 66.1 | 0 | 0 | 0 | 112.1 | Y21 T24 Y25 A115 V116 V117 A121 Y122 M123 I140 F197 | Y21-L119 HydrophobicContact CD1-CD1 3.65Å; Y21-L119 HydrophobicContact CD1-CD2 4.04Å; Y21-L119 HydrophobicContact CD1-CG 4.18Å; Y21-L119 HydrophobicContact CE1-CD1 3.5Å; Y21-L119 VanDerWaalsContact CE1-CD1 3.5Å; Y21-L119 HydrophobicContact CE1-CG 4.35Å; T24-L119 HydrophobicContact CG2-CD2 3.75Å; Y25-L119 HydrophobicContact CE2-CD2 4.16Å; A115-L119 VanDerWaalsContact O-CB 3.23Å; A115-L119 WeakPolarHBondContact O-CB 3.26Å; A115-L119 PolarHBondContact O-N 3.45Å; V116-L119 WeakPolarHBondContact O-CB 3.44Å; V116-L119 PolarHBondContact O-N 3.49Å; V117-L119 VanDerWaalsContact C-N 3.32Å; V117-L119 PolarHBondContact O-N 2.93Å; L119-A121 VanDerWaalsContact C-N 3.34Å; L119-A121 PolarHBondContact O-N 3.3Å; L119-Y122 WeakPolarHBondContact O-CB 3.49Å; L119-Y122 PolarHBondContact O-N 3.47Å; L119-M123 VanDerWaalsContact O-CG 3.31Å; L119-M123 WeakPolarHBondContact O-CG 3.5Å; L119-M123 PolarHBondContact O-N 2.91Å; L119-I140 HydrophobicContact CB-CD1 4.36Å; L119-I140 HydrophobicContact CD1-CD1 4.05Å; L119-F197 HydrophobicContact CD1-CE1 4.32Å; L119-F197 HydrophobicContact CD1-CZ 3.79Å |
| 120 | I | 92.2 | Very high | 87.9 | Confident | 82 Ų | 82 | 69.9 Ų | 69.9 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 176.5 | -67.3 | 164.8 | 0 | 0 | 0 | 109.9 | V116 V117 Y122 M123 C124 | V116-I120 HydrophobicContact CG1-CD1 3.9Å; V116-I120 HydrophobicContact CG1-CG1 4.5Å; V116-I120 VanDerWaalsContact O-CG1 3.3Å; V116-I120 WeakPolarHBondContact O-CG1 3.44Å; V116-I120 PolarHBondContact O-N 2.86Å; V117-I120 PolarHBondContact O-N 3.43Å; I120-Y122 VanDerWaalsContact C-N 3.28Å; I120-Y122 PolarHBondContact O-N 2.99Å; I120-M123 PolarHBondContact O-N 3.43Å; I120-M123 VanDerWaalsContact O-N 3.16Å; I120-C124 PolarHBondContact O-N 3.14Å; I120-C124 PolarHBondContact O-SG 2.94Å; I120-C124 VanDerWaalsContact O-SG 3.32Å |
| 121 | A | 90.5 | Very high | 87.2 | Confident | 40 Ų | 40 | 74 Ų | 74 | 33% | 0.331 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V117 T118 L119 | V117-A121 WeakPolarHBondContact O-CB 3.29Å; V117-A121 PolarHBondContact O-N 2.84Å; T118-A121 PolarHBondContact O-N 2.8Å; L119-A121 VanDerWaalsContact C-N 3.34Å; L119-A121 PolarHBondContact O-N 3.3Å |
| 122 | Y | 87.8 | Confident | 86.7 | Confident | 37 Ų | 37 | 80 Ų | 80 | 15% | 0.145 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 172.9 | 179.8 | -92.6 | 0 | 0 | 0 | 111.8 | Y21 T118 L119 I120 C124 K125 Q133 I137 | Y21-Y122 WeakPolarHBondContact OH-CE1 3.4Å; T118-Y122 WeakPolarHBondContact O-CB 3.38Å; T118-Y122 PolarHBondContact O-N 3.34Å; L119-Y122 WeakPolarHBondContact O-CB 3.49Å; L119-Y122 PolarHBondContact O-N 3.47Å; I120-Y122 VanDerWaalsContact C-N 3.28Å; I120-Y122 PolarHBondContact O-N 2.99Å; Y122-C124 VanDerWaalsContact C-N 3.32Å; Y122-C124 PolarHBondContact O-N 3.3Å; Y122-K125 PolarHBondContact O-N 3.36Å; Y122-Q133 HydrophobicContact CE2-CB 4.38Å; Y122-Q133 HydrophobicContact CE2-CG 4.42Å; Y122-I137 HydrophobicContact CD2-CG1 4.41Å; Y122-I137 HydrophobicContact CE2-CD1 3.94Å; Y122-I137 HydrophobicContact CE2-CG1 3.94Å |
| 123 | M | 86.5 | Confident | 86.2 | Confident | 79 Ų | 79 | 82.5 Ų | 82.5 | 39% | 0.389 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.9 | -30.7 | -179.4 | -71.6 | -62.2 | -137.3 | 0 | 0 | 113.9 | Y21 L119 I120 K125 | Y21-M123 HydrophobicContact CD1-CE 3.49Å; Y21-M123 VanDerWaalsContact CD1-CE 3.49Å; Y21-M123 HydrophobicContact CD2-CE 3.43Å; Y21-M123 VanDerWaalsContact CD2-CE 3.43Å; Y21-M123 HydrophobicContact CE1-CE 3.39Å; Y21-M123 HydrophobicContact CE1-SD 3.9Å; Y21-M123 HydrophobicContact CE2-CE 3.33Å; Y21-M123 HydrophobicContact CE2-SD 4.11Å; Y21-M123 HydrophobicContact CG-CE 3.52Å; L119-M123 VanDerWaalsContact O-CG 3.31Å; L119-M123 WeakPolarHBondContact O-CG 3.5Å; L119-M123 PolarHBondContact O-N 2.91Å; I120-M123 PolarHBondContact O-N 3.43Å; I120-M123 VanDerWaalsContact O-N 3.16Å; M123-K125 PolarHBondContact O-N 3.45Å |
| 124 | C | 86.1 | Confident | 85.8 | Confident | 88 Ų | 88 | 79.7 Ų | 79.7 | 60% | 0.595 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 2.5 | 175.1 | -70.9 | 0 | 0 | 0 | 0 | 114 | I120 Y122 R126 | I120-C124 PolarHBondContact O-N 3.14Å; I120-C124 PolarHBondContact O-SG 2.94Å; I120-C124 VanDerWaalsContact O-SG 3.32Å; Y122-C124 VanDerWaalsContact C-N 3.32Å; Y122-C124 PolarHBondContact O-N 3.3Å; C124-R126 PolarHBondContact O-N 3.46Å |
| 125 | K | 71.5 | Confident | 85.5 | Confident | 185 Ų | 185 | 82.9 Ų | 82.9 | 80% | 0.804 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 16.2 | 176 | -68.7 | -177.3 | -177.8 | 177.4 | 0 | 115.1 | Y122 M123 I127 | Y122-K125 PolarHBondContact O-N 3.36Å; M123-K125 PolarHBondContact O-N 3.45Å; K125-I127 PolarHBondContact O-N 3.01Å |
| 126 | R | 67.2 | Low | 85.3 | Confident | 224 Ų | 224 | 85.2 Ų | 85.2 | 85% | 0.845 | 40% | 0.397 | S | S | * | . | trans | -66.5 | -26.2 | 179.4 | -173.2 | -179 | -81.3 | -170.3 | -3.9 | 111.2 | C124 R128 | C124-R126 PolarHBondContact O-N 3.46Å; R126-R128 PolarHBondContact O-N 3.03Å | ||
| 127 | I | 69 | Low | 85.1 | Confident | 24 Ų | 24 | 84.6 Ų | 84.6 | 12% | 0.123 | 39% | 0.394 | C | S | . | . | trans | -90.4 | 97.7 | -173.5 | -56.7 | 147.2 | 0 | 0 | 0 | 109.9 | K125 R132 Q133 F136 | K125-I127 PolarHBondContact O-N 3.01Å; I127-R132 HydrophobicContact CG2-CB 3.5Å; I127-Q133 HydrophobicContact CB-CG 4.37Å; I127-Q133 HydrophobicContact CG2-CG 3.74Å; I127-Q133 PolarHBondContact O-NE2 2.99Å; I127-F136 HydrophobicContact CD1-CD2 3.43Å; I127-F136 VanDerWaalsContact CD1-CD2 3.43Å; I127-F136 HydrophobicContact CD1-CE2 3.39Å; I127-F136 HydrophobicContact CD1-CG 4.11Å; I127-F136 HydrophobicContact CD1-CZ 4Å; I127-F136 HydrophobicContact CG1-CD2 4.25Å; I127-F136 HydrophobicContact CG1-CE2 3.92Å; I127-F136 HydrophobicContact CG2-CD2 4.48Å | ||
| 128 | R | 67.6 | Low | 85.1 | Confident | 195 Ų | 195 | 82.5 Ų | 82.5 | 74% | 0.736 | 38% | 0.383 | S | S | * | . | trans | -87.9 | -18.9 | 176.7 | -66.1 | -172.6 | -68 | -176.9 | -2.5 | 114.2 | R126 | R126-R128 PolarHBondContact O-N 3.03Š| ||
| 129 | H | 82.4 | Confident | 85.2 | Confident | 109 Ų | 109 | 84.3 Ų | 84.3 | 51% | 0.505 | 39% | 0.392 | S | S | . | . | trans | -82.9 | 123.1 | -177.4 | -66.6 | -87.8 | 0 | 0 | 0 | 110.3 | E131 R132 Q133 | H129-E131 VanDerWaalsContact C-N 3.31Å; H129-E131 PolarHBondContact O-N 3.01Å; H129-R132 HydrophobicContact CB-CB 4.24Å; H129-R132 HydrophobicContact CB-CG 4.08Å; H129-R132 PolarHBondContact O-N 3.22Å; H129-R132 VanDerWaalsContact O-N 3.13Å; H129-Q133 PolarHBondContact O-N 3.14Å | ||
| 130 | V | 80.7 | Confident | 85.4 | Confident | 34 Ų | 34 | 84.3 Ų | 84.3 | 21% | 0.206 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.2 | -38.6 | -175.6 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | I3 R132 Q133 S134 L204 I208 | I3-V130 HydrophobicContact CD1-CG2 3.78Å; V130-R132 PolarHBondContact O-N 3.45Å; V130-Q133 WeakPolarHBondContact O-CB 3.19Å; V130-Q133 PolarHBondContact O-N 3.49Å; V130-S134 PolarHBondContact O-N 3.41Å; V130-L204 HydrophobicContact CG1-CD1 4.24Å; V130-I208 HydrophobicContact CG1-CD1 3.61Å; V130-I208 HydrophobicContact CG1-CG1 3.54Å |
| 131 | E | 84 | Confident | 85.6 | Confident | 163 Ų | 163 | 81.2 Ų | 81.2 | 76% | 0.762 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.7 | -43.5 | 175.3 | -67.9 | 170.4 | -179.5 | 0 | 0 | 112.2 | H129 S134 F135 | H129-E131 VanDerWaalsContact C-N 3.31Å; H129-E131 PolarHBondContact O-N 3.01Å; E131-S134 PolarHBondContact O-N 2.86Å; E131-F135 PolarHBondContact O-N 2.9Å |
| 132 | R | 87.2 | Confident | 86 | Confident | 160 Ų | 160 | 85.6 Ų | 85.6 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66 | -40.3 | 177 | -65.9 | -173.2 | -172.5 | -148.7 | 1.8 | 111.1 | I127 H129 V130 S134 F135 F136 | I127-R132 HydrophobicContact CG2-CB 3.5Å; H129-R132 HydrophobicContact CB-CB 4.24Å; H129-R132 HydrophobicContact CB-CG 4.08Å; H129-R132 PolarHBondContact O-N 3.22Å; H129-R132 VanDerWaalsContact O-N 3.13Å; V130-R132 PolarHBondContact O-N 3.45Å; R132-S134 VanDerWaalsContact C-N 3.34Å; R132-S134 PolarHBondContact O-N 3.24Å; R132-F135 WeakPolarHBondContact O-CB 3.32Å; R132-F135 PolarHBondContact O-N 3.44Å; R132-F136 WeakPolarHBondContact O-CD2 3.47Å; R132-F136 PolarHBondContact O-N 3.2Å |
| 133 | Q | 86.9 | Confident | 86.5 | Confident | 54 Ų | 54 | 84 Ų | 84 | 25% | 0.252 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.4 | -47.4 | 175.8 | -68.3 | -179 | -12.6 | 0 | 0 | 111.3 | Y122 I127 H129 V130 F135 F136 I137 | Y122-Q133 HydrophobicContact CE2-CB 4.38Å; Y122-Q133 HydrophobicContact CE2-CG 4.42Å; I127-Q133 HydrophobicContact CB-CG 4.37Å; I127-Q133 HydrophobicContact CG2-CG 3.74Å; I127-Q133 PolarHBondContact O-NE2 2.99Å; H129-Q133 PolarHBondContact O-N 3.14Å; V130-Q133 WeakPolarHBondContact O-CB 3.19Å; V130-Q133 PolarHBondContact O-N 3.49Å; Q133-F135 VanDerWaalsContact C-N 3.3Å; Q133-F135 PolarHBondContact O-N 2.93Å; Q133-F136 PolarHBondContact O-N 3.34Å; Q133-I137 VanDerWaalsContact O-CD1 3.3Å; Q133-I137 WeakPolarHBondContact O-CD1 3.47Å; Q133-I137 VanDerWaalsContact O-CG1 3.3Å; Q133-I137 WeakPolarHBondContact O-CG1 3.46Å; Q133-I137 PolarHBondContact O-N 2.72Å |
| 134 | S | 89.5 | Confident | 87 | Confident | 18 Ų | 18 | 80.2 Ų | 80.2 | 13% | 0.126 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.9 | -43.8 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | V130 E131 R132 I137 S138 | V130-S134 PolarHBondContact O-N 3.41Å; E131-S134 PolarHBondContact O-N 2.86Å; R132-S134 VanDerWaalsContact C-N 3.34Å; R132-S134 PolarHBondContact O-N 3.24Å; S134-I137 PolarHBondContact O-N 3.29Å; S134-S138 VanDerWaalsContact O-CB 3.23Å; S134-S138 WeakPolarHBondContact O-CB 3.22Å; S134-S138 PolarHBondContact O-N 2.96Å |
| 135 | F | 91.7 | Very high | 87.6 | Confident | 132 Ų | 132 | 78.2 Ų | 78.2 | 58% | 0.579 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.7 | -50 | 175.4 | 178.4 | -96.6 | 0 | 0 | 0 | 112.9 | E131 R132 Q133 I137 S138 L139 | E131-F135 PolarHBondContact O-N 2.9Å; R132-F135 WeakPolarHBondContact O-CB 3.32Å; R132-F135 PolarHBondContact O-N 3.44Å; Q133-F135 VanDerWaalsContact C-N 3.3Å; Q133-F135 PolarHBondContact O-N 2.93Å; F135-I137 PolarHBondContact O-N 3.46Å; F135-S138 PolarHBondContact O-N 3.05Å; F135-L139 HydrophobicContact CE1-CD2 4.37Å; F135-L139 WeakPolarHBondContact O-CB 3.44Å; F135-L139 PolarHBondContact O-N 2.93Å |
| 136 | F | 92.7 | Very high | 88.9 | Confident | 48 Ų | 48 | 71.3 Ų | 71.3 | 21% | 0.211 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.8 | -44 | 179.5 | -79.3 | -76.2 | 0 | 0 | 0 | 112.6 | T118 I127 R132 Q133 S138 L139 I140 | T118-F136 HydrophobicContact CG2-CD1 4.29Å; I127-F136 HydrophobicContact CD1-CD2 3.43Å; I127-F136 VanDerWaalsContact CD1-CD2 3.43Å; I127-F136 HydrophobicContact CD1-CE2 3.39Å; I127-F136 HydrophobicContact CD1-CG 4.11Å; I127-F136 HydrophobicContact CD1-CZ 4Å; I127-F136 HydrophobicContact CG1-CD2 4.25Å; I127-F136 HydrophobicContact CG1-CE2 3.92Å; I127-F136 HydrophobicContact CG2-CD2 4.48Å; R132-F136 WeakPolarHBondContact O-CD2 3.47Å; R132-F136 PolarHBondContact O-N 3.2Å; Q133-F136 PolarHBondContact O-N 3.34Å; F136-S138 VanDerWaalsContact C-N 3.33Å; F136-S138 PolarHBondContact O-N 3.31Å; F136-L139 PolarHBondContact O-N 3.36Å; F136-I140 WeakPolarHBondContact O-CD1 3.45Å; F136-I140 WeakPolarHBondContact O-CG1 3.32Å; F136-I140 PolarHBondContact O-N 2.77Å |
| 137 | I | 92.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 178.4 | -62.5 | 154.3 | 0 | 0 | 0 | 110.6 | Y122 Q133 S134 F135 L139 I140 T141 F197 F200 N201 L204 | Y122-I137 HydrophobicContact CD2-CG1 4.41Å; Y122-I137 HydrophobicContact CE2-CD1 3.94Å; Y122-I137 HydrophobicContact CE2-CG1 3.94Å; Q133-I137 VanDerWaalsContact O-CD1 3.3Å; Q133-I137 WeakPolarHBondContact O-CD1 3.47Å; Q133-I137 VanDerWaalsContact O-CG1 3.3Å; Q133-I137 WeakPolarHBondContact O-CG1 3.46Å; Q133-I137 PolarHBondContact O-N 2.72Å; S134-I137 PolarHBondContact O-N 3.29Å; F135-I137 PolarHBondContact O-N 3.46Å; I137-L139 VanDerWaalsContact C-N 3.33Å; I137-I140 PolarHBondContact O-N 2.96Å; I137-T141 WeakPolarHBondContact O-CB 3.28Å; I137-T141 PolarHBondContact O-N 3.38Å; I137-T141 PolarHBondContact O-OG1 2.94Å; I137-F197 HydrophobicContact CG2-CD1 4.36Å; I137-F200 HydrophobicContact CD1-CD1 3.85Å; I137-F200 HydrophobicContact CD1-CE1 3.14Å; I137-F200 HydrophobicContact CD1-CZ 3.74Å; I137-F200 HydrophobicContact CG1-CD1 4.13Å; I137-F200 HydrophobicContact CG1-CE1 3.74Å; I137-F200 HydrophobicContact CG2-CD1 3.69Å; I137-F200 HydrophobicContact CG2-CE1 4.16Å; I137-N201 HydrophobicContact CG2-CB 3.91Å; I137-L204 HydrophobicContact CD1-CD2 3.5Å |
| 138 | S | 94.9 | Very high | 91.7 | Very high | 45 Ų | 45 | 60.4 Ų | 60.4 | 32% | 0.315 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 176.1 | -164.6 | 0 | 0 | 0 | 0 | 111.7 | S134 F135 F136 T141 F142 N201 | S134-S138 VanDerWaalsContact O-CB 3.23Å; S134-S138 WeakPolarHBondContact O-CB 3.22Å; S134-S138 PolarHBondContact O-N 2.96Å; F135-S138 PolarHBondContact O-N 3.05Å; F136-S138 VanDerWaalsContact C-N 3.33Å; F136-S138 PolarHBondContact O-N 3.31Å; S138-T141 PolarHBondContact O-N 3.4Å; S138-F142 WeakPolarHBondContact O-CB 3.27Å; S138-F142 PolarHBondContact O-N 3.49Å; S138-N201 WeakPolarHBondContact CB-ND2 3.49Å; S138-N201 PolarHBondContact OG-ND2 3.13Å |
| 139 | L | 96 | Very high | 93.2 | Very high | 52 Ų | 52 | 56 Ų | 56 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 176.4 | -179.6 | 59.7 | 0 | 0 | 0 | 111.6 | T118 F135 F136 I137 T141 F142 C143 | T118-L139 HydrophobicContact CG2-CD2 3.84Å; F135-L139 HydrophobicContact CE1-CD2 4.37Å; F135-L139 WeakPolarHBondContact O-CB 3.44Å; F135-L139 PolarHBondContact O-N 2.93Å; F136-L139 PolarHBondContact O-N 3.36Å; I137-L139 VanDerWaalsContact C-N 3.33Å; L139-T141 VanDerWaalsContact C-N 3.32Å; L139-T141 PolarHBondContact O-N 3.06Å; L139-F142 WeakPolarHBondContact O-CB 3.3Å; L139-F142 PolarHBondContact O-N 3.19Å; L139-C143 PolarHBondContact O-N 2.94Å; L139-C143 PolarHBondContact O-SG 2.75Å; L139-C143 VanDerWaalsContact O-SG 3.34Å |
| 140 | I | 96.2 | Very high | 94 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 175.4 | -68.8 | 160.5 | 0 | 0 | 0 | 110.8 | T118 L119 F136 I137 F142 C143 H144 F197 | T118-I140 VanDerWaalsContact OG1-CG1 3.26Å; T118-I140 WeakPolarHBondContact OG1-CG1 3.25Å; L119-I140 HydrophobicContact CB-CD1 4.36Å; L119-I140 HydrophobicContact CD1-CD1 4.05Å; F136-I140 WeakPolarHBondContact O-CD1 3.45Å; F136-I140 WeakPolarHBondContact O-CG1 3.32Å; F136-I140 PolarHBondContact O-N 2.77Å; I137-I140 PolarHBondContact O-N 2.96Å; I140-F142 VanDerWaalsContact C-N 3.33Å; I140-F142 PolarHBondContact O-N 2.94Å; I140-C143 PolarHBondContact O-N 3.22Å; I140-H144 PolarHBondContact O-CD2 3Å; I140-H144 PolarHBondContact O-N 3.39Å; I140-F197 HydrophobicContact CG2-CD1 4.45Å; I140-F197 HydrophobicContact CG2-CD2 3.72Å; I140-F197 HydrophobicContact CG2-CE2 3.92Å; I140-F197 HydrophobicContact CG2-CG 4.03Å; I140-F197 HydrophobicContact CG2-CZ 4.37Å |
| 141 | T | 97 | Very high | 94.8 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 10% | 0.104 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 177.5 | -54.8 | 0 | 0 | 0 | 0 | 111.2 | I137 S138 L139 S145 F197 | I137-T141 WeakPolarHBondContact O-CB 3.28Å; I137-T141 PolarHBondContact O-N 3.38Å; I137-T141 PolarHBondContact O-OG1 2.94Å; S138-T141 PolarHBondContact O-N 3.4Å; L139-T141 VanDerWaalsContact C-N 3.32Å; L139-T141 PolarHBondContact O-N 3.06Å; T141-S145 WeakPolarHBondContact O-CB 3.07Å; T141-S145 PolarHBondContact O-N 3.38Å; T141-S145 PolarHBondContact O-OG 3.39Å; T141-F197 WeakPolarHBondContact OG1-CB 3.3Å |
| 142 | F | 97.8 | Very high | 95.5 | Very high | 131 Ų | 131 | 49.4 Ų | 49.4 | 58% | 0.575 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -62.8 | -47.8 | 178.3 | 175.6 | -101.8 | 0 | 0 | 0 | 111.9 | S138 L139 I140 H144 S145 C146 | S138-F142 WeakPolarHBondContact O-CB 3.27Å; S138-F142 PolarHBondContact O-N 3.49Å; L139-F142 WeakPolarHBondContact O-CB 3.3Å; L139-F142 PolarHBondContact O-N 3.19Å; I140-F142 VanDerWaalsContact C-N 3.33Å; I140-F142 PolarHBondContact O-N 2.94Å; F142-H144 PolarHBondContact O-N 3.46Å; F142-S145 PolarHBondContact O-N 3.42Å; F142-C146 WeakPolarHBondContact O-CB 3.46Å; F142-C146 PolarHBondContact O-N 3Å |
| 143 | C | 98.1 | Very high | 96 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.3 | -46.6 | 177.2 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | L111 A115 L139 I140 S147 | L111-C143 HydrophobicContact CB-CB 4.46Å; A115-C143 HydrophobicContact CB-CB 3.89Å; L139-C143 PolarHBondContact O-N 2.94Å; L139-C143 PolarHBondContact O-SG 2.75Å; L139-C143 VanDerWaalsContact O-SG 3.34Å; I140-C143 PolarHBondContact O-N 3.22Å; C143-S147 VanDerWaalsContact O-CB 3.3Å; C143-S147 WeakPolarHBondContact O-CB 3.2Å; C143-S147 PolarHBondContact O-N 2.69Å; C143-S147 PolarHBondContact O-OG 2.83Å |
| 144 | H | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.2 | -38.9 | 177.1 | -80.3 | -57.6 | 0 | 0 | 0 | 112.9 | T24 Q112 I140 F142 T148 A194 | T24-H144 WeakPolarHBondContact CG2-NE2 3.42Å; T24-H144 PolarHBondContact OG1-CE1 3.16Å; T24-H144 PolarHBondContact OG1-NE2 3.5Å; Q112-H144 PolarHBondContact OE1-CE1 3.34Å; Q112-H144 PolarHBondContact OE1-ND1 3.31Å; I140-H144 PolarHBondContact O-CD2 3Å; I140-H144 PolarHBondContact O-N 3.39Å; F142-H144 PolarHBondContact O-N 3.46Å; H144-T148 WeakPolarHBondContact O-CB 3.3Å; H144-T148 PolarHBondContact O-N 2.7Å; H144-T148 PolarHBondContact O-OG1 2.94Å; H144-A194 HydrophobicContact CB-CB 3.89Å |
| 145 | S | 97.9 | Very high | 96.9 | Very high | 47 Ų | 47 | 42.7 Ų | 42.7 | 33% | 0.329 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.7 | -47.7 | 178.8 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | T141 F142 T148 I149 | T141-S145 WeakPolarHBondContact O-CB 3.07Å; T141-S145 PolarHBondContact O-N 3.38Å; T141-S145 PolarHBondContact O-OG 3.39Å; F142-S145 PolarHBondContact O-N 3.42Å; S145-T148 PolarHBondContact O-N 2.94Å; S145-I149 WeakPolarHBondContact O-CG1 3.39Å; S145-I149 PolarHBondContact O-N 3.01Å |
| 146 | C | 98.4 | Very high | 97.2 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 26% | 0.264 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.6 | -46.7 | 177.4 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | L111 F142 T148 I149 L150 | L111-C146 HydrophobicContact CD1-CB 3.91Å; F142-C146 WeakPolarHBondContact O-CB 3.46Å; F142-C146 PolarHBondContact O-N 3Å; C146-T148 VanDerWaalsContact C-N 3.28Å; C146-T148 PolarHBondContact O-N 2.94Å; C146-I149 PolarHBondContact O-N 3.25Å; C146-I149 VanDerWaalsContact O-N 3.15Å; C146-L150 VanDerWaalsContact O-CG 3.3Å; C146-L150 WeakPolarHBondContact O-CG 3.49Å; C146-L150 PolarHBondContact O-N 3.15Å |
| 147 | S | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.5 | -39.6 | 176.6 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | S108 L111 C143 I149 L150 I151 | S108-S147 PolarHBondContact O-OG 3.35Å; L111-S147 WeakPolarHBondContact CB-OG 3.08Å; C143-S147 VanDerWaalsContact O-CB 3.3Å; C143-S147 WeakPolarHBondContact O-CB 3.2Å; C143-S147 PolarHBondContact O-N 2.69Å; C143-S147 PolarHBondContact O-OG 2.83Å; S147-I149 PolarHBondContact O-N 3.17Å; S147-L150 PolarHBondContact O-N 3.28Å; S147-I151 WeakPolarHBondContact O-CB 3.35Å; S147-I151 VanDerWaalsContact O-CG1 3.25Å; S147-I151 WeakPolarHBondContact O-CG1 3.29Å; S147-I151 PolarHBondContact O-N 3Å |
| 148 | T | 98.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 39.1 Ų | 39.1 | 12% | 0.123 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 177.9 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | H144 S145 C146 F152 S190 L191 | H144-T148 WeakPolarHBondContact O-CB 3.3Å; H144-T148 PolarHBondContact O-N 2.7Å; H144-T148 PolarHBondContact O-OG1 2.94Å; S145-T148 PolarHBondContact O-N 2.94Å; C146-T148 VanDerWaalsContact C-N 3.28Å; C146-T148 PolarHBondContact O-N 2.94Å; T148-F152 WeakPolarHBondContact O-CB 3.26Å; T148-F152 PolarHBondContact O-N 3.21Å; T148-S190 VanDerWaalsContact OG1-CB 3.27Å; T148-S190 WeakPolarHBondContact OG1-CB 3.44Å; T148-L191 HydrophobicContact CG2-CB 3.82Å; T148-L191 HydrophobicContact CG2-CD1 4.17Å; T148-L191 HydrophobicContact CG2-CG 4.48Å; T148-L191 PolarHBondContact OG1-N 2.89Å |
| 149 | I | 98.4 | Very high | 97.5 | Very high | 101 Ų | 101 | 38.4 Ų | 38.4 | 52% | 0.518 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65 | -47 | 178.9 | -66 | 165.9 | 0 | 0 | 0 | 110.6 | S145 C146 S147 F152 I153 | S145-I149 WeakPolarHBondContact O-CG1 3.39Å; S145-I149 PolarHBondContact O-N 3.01Å; C146-I149 PolarHBondContact O-N 3.25Å; C146-I149 VanDerWaalsContact O-N 3.15Å; S147-I149 PolarHBondContact O-N 3.17Å; I149-F152 PolarHBondContact O-N 3.09Å; I149-I153 HydrophobicContact CG2-CD1 3.86Å; I149-I153 WeakPolarHBondContact O-CG1 3.49Å; I149-I153 PolarHBondContact O-N 3.5Å |
| 150 | L | 98.5 | Very high | 97.4 | Very high | 24 Ų | 24 | 41 Ų | 41 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -43.5 | -179.1 | -66.8 | 173.8 | 0 | 0 | 0 | 112.2 | M104 V107 S108 L111 C146 S147 S154 | M104-L150 HydrophobicContact SD-CD2 3.46Å; M104-L150 WeakPolarHBondContact SD-CD2 3.43Å; V107-L150 HydrophobicContact CB-CD1 4.27Å; V107-L150 HydrophobicContact CG1-CD1 3.73Å; S108-L150 WeakPolarHBondContact OG-CB 3.36Å; L111-L150 HydrophobicContact CD1-CD1 3.93Å; C146-L150 VanDerWaalsContact O-CG 3.3Å; C146-L150 WeakPolarHBondContact O-CG 3.49Å; C146-L150 PolarHBondContact O-N 3.15Å; S147-L150 PolarHBondContact O-N 3.28Å; L150-S154 WeakPolarHBondContact O-CB 3.35Å; L150-S154 PolarHBondContact O-N 2.71Å; L150-S154 PolarHBondContact O-OG 2.91Å |
| 151 | I | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67 | -40.9 | 175.6 | -66.8 | -60.5 | 0 | 0 | 0 | 111.2 | L31 V105 S147 I153 S154 V155 A183 | L31-I151 HydrophobicContact CD1-CD1 3.54Å; L31-I151 HydrophobicContact CD1-CG1 4.33Å; V105-I151 HydrophobicContact CB-CD1 4.46Å; V105-I151 HydrophobicContact CG1-CD1 4.27Å; V105-I151 HydrophobicContact CG2-CD1 4.05Å; S147-I151 WeakPolarHBondContact O-CB 3.35Å; S147-I151 VanDerWaalsContact O-CG1 3.25Å; S147-I151 WeakPolarHBondContact O-CG1 3.29Å; S147-I151 PolarHBondContact O-N 3Å; I151-I153 PolarHBondContact O-N 3.39Å; I151-S154 PolarHBondContact O-N 3.45Å; I151-V155 HydrophobicContact CG2-CG2 4.15Å; I151-V155 WeakPolarHBondContact O-CB 3.44Å; I151-V155 VanDerWaalsContact O-CG2 3.3Å; I151-V155 WeakPolarHBondContact O-CG2 3.41Å; I151-V155 PolarHBondContact O-N 3.49Å; I151-A183 WeakPolarHBondContact CG2-O 3.3Å |
| 152 | F | 98.2 | Very high | 97 | Very high | 141 Ų | 141 | 44.3 Ų | 44.3 | 62% | 0.618 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -58.8 | -49.3 | 176.3 | 178.6 | -103.2 | 0 | 0 | 0 | 111.6 | T148 I149 S154 V155 V156 | T148-F152 WeakPolarHBondContact O-CB 3.26Å; T148-F152 PolarHBondContact O-N 3.21Å; I149-F152 PolarHBondContact O-N 3.09Å; F152-S154 VanDerWaalsContact C-N 3.32Å; F152-S154 PolarHBondContact O-N 2.86Å; F152-V155 PolarHBondContact O-N 3.28Å; F152-V156 HydrophobicContact CD2-CG2 4.47Å; F152-V156 HydrophobicContact CE1-CG2 4.19Å; F152-V156 HydrophobicContact CE2-CG2 4.12Å; F152-V156 HydrophobicContact CZ-CG2 3.98Å; F152-V156 VanDerWaalsContact O-CG2 3.29Å; F152-V156 WeakPolarHBondContact O-CG2 3.4Å; F152-V156 PolarHBondContact O-N 2.88Å |
| 153 | I | 98.2 | Very high | 96.6 | Very high | 71 Ų | 71 | 43.8 Ų | 43.8 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 176.2 | -67.6 | 167.6 | 0 | 0 | 0 | 110.5 | I149 I151 V155 V156 I157 | I149-I153 HydrophobicContact CG2-CD1 3.86Å; I149-I153 WeakPolarHBondContact O-CG1 3.49Å; I149-I153 PolarHBondContact O-N 3.5Å; I151-I153 PolarHBondContact O-N 3.39Å; I153-V155 PolarHBondContact O-N 2.9Å; I153-V156 PolarHBondContact O-N 3.43Å; I153-I157 HydrophobicContact CG2-CD1 3.59Å; I153-I157 HydrophobicContact CG2-CG1 4.24Å; I153-I157 VanDerWaalsContact O-CG1 3.28Å; I153-I157 WeakPolarHBondContact O-CG1 3.44Å; I153-I157 PolarHBondContact O-N 2.93Å |
| 154 | S | 97.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | -179.9 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | M104 L150 I151 F152 I157 F158 | M104-S154 WeakPolarHBondContact CB-OG 3.44Å; L150-S154 WeakPolarHBondContact O-CB 3.35Å; L150-S154 PolarHBondContact O-N 2.71Å; L150-S154 PolarHBondContact O-OG 2.91Å; I151-S154 PolarHBondContact O-N 3.45Å; F152-S154 VanDerWaalsContact C-N 3.32Å; F152-S154 PolarHBondContact O-N 2.86Å; S154-I157 PolarHBondContact O-N 3.01Å; S154-F158 WeakPolarHBondContact O-CB 3.22Å; S154-F158 PolarHBondContact O-N 3.25Å |
| 155 | V | 97.5 | Very high | 95.5 | Very high | 19 Ų | 19 | 53 Ų | 53 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 179.2 | 165.1 | 0 | 0 | 0 | 0 | 111.3 | I151 F152 I153 G159 Y180 A183 I184 | I151-V155 HydrophobicContact CG2-CG2 4.15Å; I151-V155 WeakPolarHBondContact O-CB 3.44Å; I151-V155 VanDerWaalsContact O-CG2 3.3Å; I151-V155 WeakPolarHBondContact O-CG2 3.41Å; I151-V155 PolarHBondContact O-N 3.49Å; F152-V155 PolarHBondContact O-N 3.28Å; I153-V155 PolarHBondContact O-N 2.9Å; V155-G159 PolarHBondContact O-N 3.39Å; V155-Y180 HydrophobicContact CB-CE2 4.29Å; V155-Y180 HydrophobicContact CG1-CE2 3.95Å; V155-Y180 WeakPolarHBondContact CG1-OH 3.45Å; V155-Y180 HydrophobicContact CG2-CE2 4.32Å; V155-Y180 PolarHBondContact O-OH 3.42Å; V155-A183 HydrophobicContact CG2-CB 4.37Å; V155-I184 HydrophobicContact CB-CG1 4.47Å; V155-I184 HydrophobicContact CG1-CD1 4.06Å; V155-I184 HydrophobicContact CG1-CG1 3.59Å; V155-I184 HydrophobicContact CG2-CG1 3.96Å |
| 156 | V | 97.7 | Very high | 94.8 | Very high | 66 Ų | 66 | 56 Ų | 56 | 40% | 0.4 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67 | -47.8 | 177.8 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | F152 I153 F158 G159 V160 | F152-V156 HydrophobicContact CD2-CG2 4.47Å; F152-V156 HydrophobicContact CE1-CG2 4.19Å; F152-V156 HydrophobicContact CE2-CG2 4.12Å; F152-V156 HydrophobicContact CZ-CG2 3.98Å; F152-V156 VanDerWaalsContact O-CG2 3.29Å; F152-V156 WeakPolarHBondContact O-CG2 3.4Å; F152-V156 PolarHBondContact O-N 2.88Å; I153-V156 PolarHBondContact O-N 3.43Å; V156-F158 VanDerWaalsContact C-N 3.31Å; V156-F158 PolarHBondContact O-N 2.9Å; V156-G159 PolarHBondContact O-N 2.75Å; V156-V160 WeakPolarHBondContact O-CG2 2.98Å; V156-V160 PolarHBondContact O-N 3.36Å |
| 157 | I | 97.3 | Very high | 94.2 | Very high | 40 Ų | 40 | 55 Ų | 55 | 21% | 0.205 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 178.1 | -68.3 | 171.5 | 0 | 0 | 0 | 110.3 | W97 I100 I101 I153 S154 V160 N161 | W97-I157 HydrophobicContact CB-CG2 4.03Å; W97-I157 HydrophobicContact CE3-CG2 4.03Å; I100-I157 HydrophobicContact CG2-CD1 4.05Å; I101-I157 HydrophobicContact CD1-CB 4.35Å; I101-I157 HydrophobicContact CD1-CG2 3.95Å; I101-I157 HydrophobicContact CG1-CB 4.32Å; I101-I157 HydrophobicContact CG1-CG2 4.12Å; I153-I157 HydrophobicContact CG2-CD1 3.59Å; I153-I157 HydrophobicContact CG2-CG1 4.24Å; I153-I157 VanDerWaalsContact O-CG1 3.28Å; I153-I157 WeakPolarHBondContact O-CG1 3.44Å; I153-I157 PolarHBondContact O-N 2.93Å; S154-I157 PolarHBondContact O-N 3.01Å; I157-V160 PolarHBondContact O-N 2.98Å; I157-N161 WeakPolarHBondContact O-CB 3.45Å; I157-N161 PolarHBondContact O-N 3.09Å; I157-N161 PolarHBondContact O-ND2 3.48Å |
| 158 | F | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 176.8 | -173.7 | -93.3 | 0 | 0 | 0 | 111.5 | W40 L41 W97 F98 I101 S154 V156 V160 N161 Y162 W167 P176 Y180 | W40-F158 HydrophobicContact CB-CZ 4.4Å; W40-F158 HydrophobicContact CE3-CD1 4.42Å; W40-F158 AromaticContact CE3-CD2 3.91Å; W40-F158 HydrophobicContact CE3-CD2 3.91Å; W40-F158 HydrophobicContact CE3-CE2 4.06Å; W40-F158 HydrophobicContact CE3-CG 4.1Å; W40-F158 HydrophobicContact CE3-CZ 4.37Å; W40-F158 HydrophobicContact CZ3-CB 4.36Å; W40-F158 HydrophobicContact CZ3-CD2 4.3Å; W40-F158 HydrophobicContact CZ3-CG 4.21Å; L41-F158 HydrophobicContact CB-CZ 4.17Å; L41-F158 HydrophobicContact CD1-CZ 4.18Å; W97-F158 HydrophobicContact CH2-CD2 4.39Å; W97-F158 HydrophobicContact CZ3-CD2 4.04Å; F98-F158 HydrophobicContact CE2-CD2 4.49Å; F98-F158 HydrophobicContact CE2-CE2 4.41Å; I101-F158 HydrophobicContact CD1-CB 3.73Å; I101-F158 HydrophobicContact CD1-CD2 4.15Å; I101-F158 HydrophobicContact CD1-CG 4.46Å; S154-F158 WeakPolarHBondContact O-CB 3.22Å; S154-F158 PolarHBondContact O-N 3.25Å; V156-F158 VanDerWaalsContact C-N 3.31Å; V156-F158 PolarHBondContact O-N 2.9Å; F158-V160 PolarHBondContact O-N 2.91Å; F158-N161 PolarHBondContact O-N 3.48Å; F158-Y162 HydrophobicContact CE1-CG 4.39Å; F158-Y162 WeakPolarHBondContact O-CB 3.41Å; F158-Y162 WeakPolarHBondContact O-CD1 3.39Å; F158-Y162 PolarHBondContact O-N 3.09Å; F158-W167 HydrophobicContact CE2-CH2 4.4Å; F158-P176 HydrophobicContact CE1-CB 4.14Å; F158-P176 HydrophobicContact CE1-CG 4.37Å; F158-Y180 HydrophobicContact CB-CE2 3.96Å; F158-Y180 AromaticContact CD1-CD2 3.45Å; F158-Y180 HydrophobicContact CD1-CD2 3.45Å; F158-Y180 VanDerWaalsContact CD1-CD2 3.45Å; F158-Y180 AromaticContact CD1-CE2 3.32Å; F158-Y180 HydrophobicContact CD1-CE2 3.32Å; F158-Y180 HydrophobicContact CD1-CG 4.13Å; F158-Y180 AromaticContact CD1-CZ 3.89Å; F158-Y180 AromaticContact CE1-CD2 3.86Å; F158-Y180 HydrophobicContact CE1-CD2 3.86Å; F158-Y180 HydrophobicContact CE1-CE2 4.13Å; F158-Y180 HydrophobicContact CE1-CG 4.12Å; F158-Y180 HydrophobicContact CG-CD2 4.14Å; F158-Y180 AromaticContact CG-CE2 3.96Å; F158-Y180 HydrophobicContact CG-CE2 3.96Å |
| 159 | G | 94.1 | Very high | 93 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.8 | -33.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V155 V156 Y162 | V155-G159 PolarHBondContact O-N 3.39Å; V156-G159 PolarHBondContact O-N 2.75Å; G159-Y162 VanDerWaalsContact O-CD1 3.28Å; G159-Y162 WeakPolarHBondContact O-CD1 3.38Å; G159-Y162 WeakPolarHBondContact O-CE1 3.38Å |
| 160 | V | 94.3 | Very high | 92.4 | Very high | 108 Ų | 108 | 57.4 Ų | 57.4 | 66% | 0.655 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -79.2 | -40.3 | 176.3 | 174.6 | 0 | 0 | 0 | 0 | 112 | V156 I157 F158 | V156-V160 WeakPolarHBondContact O-CG2 2.98Å; V156-V160 PolarHBondContact O-N 3.36Å; I157-V160 PolarHBondContact O-N 2.98Å; F158-V160 PolarHBondContact O-N 2.91Å |
| 161 | N | 92.9 | Very high | 91.8 | Very high | 46 Ų | 46 | 57 Ų | 57 | 25% | 0.246 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -93.1 | -18 | -168.6 | -71.3 | -84.4 | 0 | 0 | 0 | 114.9 | W97 I157 F158 Q163 T164 | W97-N161 HydrophobicContact CD2-CB 3.61Å; W97-N161 HydrophobicContact CE3-CB 3.84Å; W97-N161 HydrophobicContact CG-CB 4.15Å; W97-N161 HydrophobicContact CH2-CB 4.04Å; W97-N161 HydrophobicContact CZ2-CB 3.81Å; W97-N161 HydrophobicContact CZ3-CB 4.05Å; I157-N161 WeakPolarHBondContact O-CB 3.45Å; I157-N161 PolarHBondContact O-N 3.09Å; I157-N161 PolarHBondContact O-ND2 3.48Å; F158-N161 PolarHBondContact O-N 3.48Å; N161-Q163 PolarHBondContact O-N 3.46Å; N161-T164 WeakPolarHBondContact O-CB 3.39Å; N161-T164 PolarHBondContact O-N 3.13Å; N161-T164 VanDerWaalsContact O-N 3.16Å; N161-T164 PolarHBondContact O-OG1 2.87Å |
| 162 | Y | 91.3 | Very high | 91.3 | Very high | 40 Ų | 40 | 62.9 Ų | 62.9 | 16% | 0.157 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24.7 | -171.1 | 85.7 | -85.4 | 0 | 0 | 0 | 114.5 | L41 F158 G159 T164 P176 | L41-Y162 HydrophobicContact CD1-CD2 3.81Å; L41-Y162 HydrophobicContact CD1-CG 4.47Å; F158-Y162 HydrophobicContact CE1-CG 4.39Å; F158-Y162 WeakPolarHBondContact O-CB 3.41Å; F158-Y162 WeakPolarHBondContact O-CD1 3.39Å; F158-Y162 PolarHBondContact O-N 3.09Å; G159-Y162 VanDerWaalsContact O-CD1 3.28Å; G159-Y162 WeakPolarHBondContact O-CD1 3.38Å; G159-Y162 WeakPolarHBondContact O-CE1 3.38Å; Y162-T164 VanDerWaalsContact C-N 3.3Å; Y162-T164 PolarHBondContact O-N 3.43Å; Y162-P176 HydrophobicContact CD1-CG 4.27Å; Y162-P176 HydrophobicContact CD2-CG 4.03Å; Y162-P176 HydrophobicContact CE1-CG 3.95Å; Y162-P176 HydrophobicContact CE2-CG 3.7Å; Y162-P176 HydrophobicContact CG-CG 4.29Å |
| 163 | Q | 89 | Confident | 90.9 | Very high | 120 Ų | 120 | 58.4 Ų | 58.4 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 2.8 | -179.7 | -65.2 | -172 | -26.3 | 0 | 0 | 113.9 | N161 E165 P171 | N161-Q163 PolarHBondContact O-N 3.46Å; Q163-E165 PolarHBondContact O-N 3.34Å; Q163-P171 WeakPolarHBondContact O-CB 3.32Å |
| 164 | T | 88.9 | Confident | 90.6 | Very high | 51 Ų | 51 | 55.4 Ų | 55.4 | 31% | 0.313 | 30% | 0.3 | S | S | . | . | trans | -69.9 | 125.7 | -174.7 | -47 | 0 | 0 | 0 | 0 | 111.6 | N161 Y162 T166 W167 | N161-T164 WeakPolarHBondContact O-CB 3.39Å; N161-T164 PolarHBondContact O-N 3.13Å; N161-T164 VanDerWaalsContact O-N 3.16Å; N161-T164 PolarHBondContact O-OG1 2.87Å; Y162-T164 VanDerWaalsContact C-N 3.3Å; Y162-T164 PolarHBondContact O-N 3.43Å; T164-T166 HydrophobicContact CG2-CG2 4.47Å; T164-T166 WeakPolarHBondContact CG2-OG1 3.44Å; T164-T166 PolarHBondContact O-N 3.3Å; T164-W167 PolarHBondContact O-N 3.32Å | ||
| 165 | E | 84.5 | Confident | 90.4 | Very high | 147 Ų | 147 | 59.7 Ų | 59.7 | 69% | 0.687 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.5 | -179.9 | -62.7 | -177.6 | -179.1 | 0 | 0 | 114.5 | R67 Q163 P171 | R67-E165 PolarHBondContact NH1-O 3.46Å; R67-E165 VanDerWaalsContact NH1-O 3.12Å; R67-E165 PolarHBondContact NH2-O 3.41Å; Q163-E165 PolarHBondContact O-N 3.34Å; E165-P171 HydrophobicContact CB-CG 4.39Å; E165-P171 HydrophobicContact CG-CG 3.82Å |
| 166 | T | 83.4 | Confident | 90.2 | Very high | 110 Ų | 110 | 60.4 Ų | 60.4 | 68% | 0.675 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -27.2 | -179.7 | 58.1 | 0 | 0 | 0 | 0 | 113 | T164 | T164-T166 HydrophobicContact CG2-CG2 4.47Å; T164-T166 WeakPolarHBondContact CG2-OG1 3.44Å; T164-T166 PolarHBondContact O-N 3.3Å |
| 167 | W | 86.4 | Confident | 90 | Very high | 18 Ų | 18 | 57.5 Ų | 57.5 | 7% | 0.068 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -57.6 | -171.3 | 179.2 | 40.9 | 0 | 0 | 0 | 112.8 | L41 L54 L93 P95 W97 F98 F158 T164 | L41-W167 HydrophobicContact CD2-CH2 4.46Å; L41-W167 HydrophobicContact CD2-CZ3 4.03Å; L54-W167 HydrophobicContact CD2-CH2 3.41Å; L54-W167 VanDerWaalsContact CD2-CH2 3.41Å; L54-W167 HydrophobicContact CD2-CZ2 3.81Å; L54-W167 HydrophobicContact CD2-CZ3 4.47Å; L93-W167 PolarHBondContact O-NE1 3.02Å; P95-W167 HydrophobicContact CG-CD2 4.39Å; P95-W167 HydrophobicContact CG-CG 4.12Å; W97-W167 HydrophobicContact CH2-CD2 4.15Å; W97-W167 AromaticContact CH2-CE3 3.74Å; W97-W167 HydrophobicContact CH2-CE3 3.74Å; W97-W167 AromaticContact CH2-CH2 3.42Å; W97-W167 HydrophobicContact CH2-CH2 3.42Å; W97-W167 VanDerWaalsContact CH2-CH2 3.42Å; W97-W167 AromaticContact CH2-CZ2 3.89Å; W97-W167 HydrophobicContact CH2-CZ2 3.89Å; W97-W167 AromaticContact CH2-CZ3 3.37Å; W97-W167 HydrophobicContact CH2-CZ3 3.37Å; W97-W167 AromaticContact CZ2-CD2 3.55Å; W97-W167 HydrophobicContact CZ2-CD2 3.55Å; W97-W167 AromaticContact CZ2-CE2 3.84Å; W97-W167 AromaticContact CZ2-CE3 3.45Å; W97-W167 HydrophobicContact CZ2-CE3 3.45Å; W97-W167 VanDerWaalsContact CZ2-CE3 3.45Å; W97-W167 HydrophobicContact CZ2-CG 4.2Å; W97-W167 AromaticContact CZ2-CH2 3.87Å; W97-W167 HydrophobicContact CZ2-CH2 3.87Å; W97-W167 AromaticContact CZ2-CZ2 3.99Å; W97-W167 HydrophobicContact CZ2-CZ2 3.99Å; W97-W167 AromaticContact CZ2-CZ3 3.62Å; W97-W167 HydrophobicContact CZ2-CZ3 3.62Å; F98-W167 HydrophobicContact CD2-CH2 4.27Å; F98-W167 HydrophobicContact CD2-CZ2 4.24Å; F98-W167 HydrophobicContact CE2-CH2 4.48Å; F98-W167 HydrophobicContact CG-CZ2 4.25Å; F158-W167 HydrophobicContact CE2-CH2 4.4Å; T164-W167 PolarHBondContact O-N 3.32Å |
| 168 | M | 85.6 | Confident | 90 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -119.3 | 142.7 | -177.8 | -70.8 | -66.2 | 167.2 | 0 | 0 | 111.1 | L41 F51 F59 | L41-M168 HydrophobicContact CD2-CG 4.43Å; F51-M168 HydrophobicContact CD2-SD 4.06Å; F51-M168 HydrophobicContact CG-SD 4.24Å; F59-M168 HydrophobicContact CE2-CE 3.37Å; F59-M168 HydrophobicContact CE2-SD 4.19Å; F59-M168 HydrophobicContact CZ-CE 3.36Å; F59-M168 HydrophobicContact CZ-SD 3.75Å |
| 169 | P | 84.3 | Confident | 90 | Very high | 22 Ų | 22 | 60.3 Ų | 60.3 | 14% | 0.143 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -65.2 | 142 | 174.8 | 27.8 | -32.6 | 0 | 0 | 0 | 110.2 | P50 F51 F64 N174 | P50-P169 HydrophobicContact CG-CB 4.2Å; P50-P169 HydrophobicContact CG-CG 3.68Å; F51-P169 HydrophobicContact CB-CG 4.44Å; F64-P169 HydrophobicContact CD2-CG 4.41Å; F64-P169 HydrophobicContact CE2-CG 4.1Å; P169-N174 PolarHBondContact O-ND2 2.96Å; P169-N174 VanDerWaalsContact O-ND2 3.14Å |
| 170 | Y | 86.4 | Confident | 90.1 | Very high | 146 Ų | 146 | 60.5 Ų | 60.5 | 57% | 0.573 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 51 | 61 | 179.4 | -50.9 | -73.7 | 0 | 0 | 0 | 113.3 | T49 T172 L173 N174 | T49-Y170 HydrophobicContact CG2-CD2 4.29Å; Y170-T172 PolarHBondContact O-N 3.06Å; Y170-T172 VanDerWaalsContact O-N 3.13Å; Y170-L173 HydrophobicContact CG-CD1 4.29Å; Y170-L173 WeakPolarHBondContact O-CB 3.39Å; Y170-L173 PolarHBondContact O-N 2.84Å; Y170-N174 PolarHBondContact O-ND2 3.42Å |
| 171 | P | 86.2 | Confident | 90.3 | Very high | 17 Ų | 17 | 57 Ų | 57 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -60.1 | -28.3 | -175.1 | 27.2 | -36.9 | 0 | 0 | 0 | 113.3 | Q163 E165 L173 N174 | Q163-P171 WeakPolarHBondContact O-CB 3.32Å; E165-P171 HydrophobicContact CB-CG 4.39Å; E165-P171 HydrophobicContact CG-CG 3.82Å; P171-L173 PolarHBondContact O-N 2.78Å; P171-N174 PolarHBondContact O-N 2.89Å; P171-N174 VanDerWaalsContact O-N 3.09Å |
| 172 | T | 87.9 | Confident | 90.5 | Very high | 126 Ų | 126 | 57.8 Ų | 57.8 | 77% | 0.773 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -65.3 | -20.6 | 175.7 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | Y170 | Y170-T172 PolarHBondContact O-N 3.06Å; Y170-T172 VanDerWaalsContact O-N 3.13Å |
| 173 | L | 89.9 | Confident | 90.8 | Very high | 47 Ų | 47 | 56 Ų | 56 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -92.9 | -5.3 | 176.2 | -58.4 | -177.6 | 0 | 0 | 0 | 112.9 | W44 L47 T49 Y170 P171 | W44-L173 PolarHBondContact N-O 2.71Å; L47-L173 HydrophobicContact CD1-CD1 3.94Å; L47-L173 HydrophobicContact CD1-CD2 3.61Å; L47-L173 HydrophobicContact CD1-CG 4.32Å; T49-L173 HydrophobicContact CG2-CD1 3.87Å; Y170-L173 HydrophobicContact CG-CD1 4.29Å; Y170-L173 WeakPolarHBondContact O-CB 3.39Å; Y170-L173 PolarHBondContact O-N 2.84Å; P171-L173 PolarHBondContact O-N 2.78Å |
| 174 | N | 91.5 | Very high | 91.3 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.5 | -178.6 | -59.3 | -33.3 | 0 | 0 | 0 | 109.4 | L41 Q42 S43 F51 P169 Y170 P171 | L41-N174 HydrophobicContact CD1-CB 4.17Å; L41-N174 HydrophobicContact CD2-CB 4.06Å; L41-N174 HydrophobicContact CG-CB 4.09Å; Q42-N174 WeakPolarHBondContact O-CA 3.23Å; S43-N174 WeakPolarHBondContact CB-OD1 3.3Å; F51-N174 WeakPolarHBondContact CD1-OD1 3.47Å; P169-N174 PolarHBondContact O-ND2 2.96Å; P169-N174 VanDerWaalsContact O-ND2 3.14Å; Y170-N174 PolarHBondContact O-ND2 3.42Å; P171-N174 PolarHBondContact O-N 2.89Å; P171-N174 VanDerWaalsContact O-N 3.09Å |
| 175 | W | 92.8 | Very high | 91.7 | Very high | 92 Ų | 92 | 54 Ų | 54 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.3 | -177.4 | 60.2 | -78.6 | 0 | 0 | 0 | 111.3 | Q42 S177 | Q42-W175 HydrophobicContact CB-CZ2 4.26Å; Q42-W175 PolarHBondContact N-O 3.41Å; Q42-W175 VanDerWaalsContact N-O 3.08Å; Q42-W175 PolarHBondContact O-N 2.87Å; Q42-W175 PolarHBondContact O-NE1 3.44Å; W175-S177 PolarHBondContact O-N 2.97Å; W175-S177 PolarHBondContact O-OG 3.38Å |
| 176 | P | 94.3 | Very high | 92.3 | Very high | 34 Ų | 34 | 47 Ų | 47 | 22% | 0.221 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 120.9 | 175.4 | -21.5 | 34.1 | 0 | 0 | 0 | 110.2 | W40 F158 Y162 Y180 | W40-P176 WeakPolarHBondContact O-CA 3.39Å; F158-P176 HydrophobicContact CE1-CB 4.14Å; F158-P176 HydrophobicContact CE1-CG 4.37Å; Y162-P176 HydrophobicContact CD1-CG 4.27Å; Y162-P176 HydrophobicContact CD2-CG 4.03Å; Y162-P176 HydrophobicContact CE1-CG 3.95Å; Y162-P176 HydrophobicContact CE2-CG 3.7Å; Y162-P176 HydrophobicContact CG-CG 4.29Å; P176-Y180 HydrophobicContact CB-CD1 3.49Å; P176-Y180 VanDerWaalsContact CB-CD1 3.49Å; P176-Y180 HydrophobicContact CB-CE1 4Å; P176-Y180 HydrophobicContact CB-CG 4.08Å |
| 177 | S | 94.3 | Very high | 93 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | trans | -92.3 | -175.9 | -171.9 | -76.3 | 0 | 0 | 0 | 0 | 113.1 | Y39 W40 Q42 W175 S179 Y180 G181 | Y39-S177 CarbonylContact O-C 3.47Å; Y39-S177 VanDerWaalsContact O-C 3.28Å; Y39-S177 WeakPolarHBondContact O-CB 3.36Å; W40-S177 PolarHBondContact O-N 3.43Å; Q42-S177 WeakPolarHBondContact CB-OG 3.38Å; Q42-S177 PolarHBondContact N-OG 2.91Å; Q42-S177 PolarHBondContact OE1-OG 3.46Å; W175-S177 PolarHBondContact O-N 2.97Å; W175-S177 PolarHBondContact O-OG 3.38Å; S177-S179 VanDerWaalsContact C-N 3.29Å; S177-S179 PolarHBondContact O-N 3.2Å; S177-Y180 WeakPolarHBondContact O-CB 3.42Å; S177-Y180 PolarHBondContact O-N 2.91Å; S177-Y180 VanDerWaalsContact O-N 3.13Å; S177-G181 PolarHBondContact O-N 3.03Å | ||
| 178 | W | 95.5 | Very high | 93.6 | Very high | 100 Ų | 100 | 47.9 Ų | 47.9 | 38% | 0.379 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.1 | -28.5 | -169.9 | 56.2 | -97.6 | 0 | 0 | 0 | 114.1 | I33 T37 Y39 Y180 G181 F182 | I33-W178 HydrophobicContact CG2-CH2 4.49Å; I33-W178 HydrophobicContact CG2-CZ3 3.65Å; T37-W178 VanDerWaalsContact CB-CH2 3.45Å; T37-W178 HydrophobicContact CG2-CH2 3.51Å; T37-W178 HydrophobicContact CG2-CZ3 3.96Å; T37-W178 WeakPolarHBondContact OG1-CH2 3.23Å; T37-W178 WeakPolarHBondContact OG1-CZ3 3.49Å; Y39-W178 VanDerWaalsContact CB-CE2 3.43Å; Y39-W178 VanDerWaalsContact CB-NE1 3.34Å; Y39-W178 HydrophobicContact CD1-CZ2 4.38Å; Y39-W178 AromaticContact CD1-NE1 3.36Å; Y39-W178 AromaticContact CD2-CE2 3.44Å; Y39-W178 VanDerWaalsContact CD2-CE2 3.44Å; Y39-W178 AromaticContact CD2-CH2 3.84Å; Y39-W178 HydrophobicContact CD2-CH2 3.84Å; Y39-W178 AromaticContact CD2-CZ2 3.01Å; Y39-W178 HydrophobicContact CD2-CZ2 3.01Å; Y39-W178 AromaticContact CD2-NE1 3.65Å; Y39-W178 AromaticContact CE1-NE1 3.94Å; Y39-W178 HydrophobicContact CE2-CH2 4.39Å; Y39-W178 AromaticContact CE2-CZ2 3.46Å; Y39-W178 HydrophobicContact CE2-CZ2 3.46Å; Y39-W178 VanDerWaalsContact CE2-CZ2 3.46Å; Y39-W178 HydrophobicContact CG-CD2 4.35Å; Y39-W178 AromaticContact CG-CE2 3.39Å; Y39-W178 AromaticContact CG-CZ2 3.54Å; Y39-W178 HydrophobicContact CG-CZ2 3.54Å; Y39-W178 AromaticContact CG-NE1 3.17Å; W178-Y180 VanDerWaalsContact C-N 3.3Å; W178-Y180 PolarHBondContact O-N 3.2Å; W178-G181 CarbonylContact O-C 3.43Å; W178-G181 WeakPolarHBondContact O-CA 3.03Å; W178-G181 PolarHBondContact O-N 3.37Å; W178-G181 VanDerWaalsContact O-N 3.12Å; W178-F182 HydrophobicContact CD2-CE2 4.44Å; W178-F182 AromaticContact CE3-CD2 3.46Å; W178-F182 HydrophobicContact CE3-CD2 3.46Å; W178-F182 VanDerWaalsContact CE3-CD2 3.46Å; W178-F182 AromaticContact CE3-CE2 3.42Å; W178-F182 HydrophobicContact CE3-CE2 3.42Å; W178-F182 VanDerWaalsContact CE3-CE2 3.42Å; W178-F182 AromaticContact CZ3-CD2 3.82Å; W178-F182 HydrophobicContact CZ3-CD2 3.82Å; W178-F182 AromaticContact CZ3-CE2 3.79Å; W178-F182 HydrophobicContact CZ3-CE2 3.79Å; W178-F182 WeakPolarHBondContact O-CD2 3.46Å; W178-F182 PolarHBondContact O-N 2.95Å |
| 179 | S | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.1 | -36.4 | 176.4 | -50 | 0 | 0 | 0 | 0 | 111.4 | A34 T37 Y39 S177 G181 F182 A183 | A34-S179 VanDerWaalsContact CB-O 3.3Å; A34-S179 WeakPolarHBondContact CB-O 3.4Å; T37-S179 WeakPolarHBondContact OG1-CB 3.3Å; T37-S179 PolarHBondContact OG1-OG 3.48Å; Y39-S179 VanDerWaalsContact C-OG 3.24Å; Y39-S179 WeakPolarHBondContact CA-OG 3.33Å; Y39-S179 VanDerWaalsContact CB-OG 3.28Å; Y39-S179 WeakPolarHBondContact CB-OG 3.28Å; Y39-S179 PolarHBondContact N-OG 3.17Å; Y39-S179 WeakPolarHBondContact O-CB 3.48Å; Y39-S179 PolarHBondContact O-N 3.34Å; Y39-S179 PolarHBondContact O-OG 3.3Å; S177-S179 VanDerWaalsContact C-N 3.29Å; S177-S179 PolarHBondContact O-N 3.2Å; S179-G181 VanDerWaalsContact C-N 3.32Å; S179-F182 PolarHBondContact O-N 3.35Å; S179-A183 PolarHBondContact O-N 2.7Å |
| 180 | Y | 97.2 | Very high | 94.8 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 13% | 0.129 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 171.5 | 176.9 | -108.1 | 0 | 0 | 0 | 110.9 | W40 V155 F158 P176 S177 W178 F182 A183 I184 | W40-Y180 AromaticContact CE3-CD2 3.82Å; W40-Y180 HydrophobicContact CE3-CD2 3.82Å; W40-Y180 AromaticContact CZ3-CD2 3.76Å; W40-Y180 HydrophobicContact CZ3-CD2 3.76Å; W40-Y180 HydrophobicContact CZ3-CE2 4.38Å; V155-Y180 HydrophobicContact CB-CE2 4.29Å; V155-Y180 HydrophobicContact CG1-CE2 3.95Å; V155-Y180 WeakPolarHBondContact CG1-OH 3.45Å; V155-Y180 HydrophobicContact CG2-CE2 4.32Å; V155-Y180 PolarHBondContact O-OH 3.42Å; F158-Y180 HydrophobicContact CB-CE2 3.96Å; F158-Y180 AromaticContact CD1-CD2 3.45Å; F158-Y180 HydrophobicContact CD1-CD2 3.45Å; F158-Y180 VanDerWaalsContact CD1-CD2 3.45Å; F158-Y180 AromaticContact CD1-CE2 3.32Å; F158-Y180 HydrophobicContact CD1-CE2 3.32Å; F158-Y180 HydrophobicContact CD1-CG 4.13Å; F158-Y180 AromaticContact CD1-CZ 3.89Å; F158-Y180 AromaticContact CE1-CD2 3.86Å; F158-Y180 HydrophobicContact CE1-CD2 3.86Å; F158-Y180 HydrophobicContact CE1-CE2 4.13Å; F158-Y180 HydrophobicContact CE1-CG 4.12Å; F158-Y180 HydrophobicContact CG-CD2 4.14Å; F158-Y180 AromaticContact CG-CE2 3.96Å; F158-Y180 HydrophobicContact CG-CE2 3.96Å; P176-Y180 HydrophobicContact CB-CD1 3.49Å; P176-Y180 VanDerWaalsContact CB-CD1 3.49Å; P176-Y180 HydrophobicContact CB-CE1 4Å; P176-Y180 HydrophobicContact CB-CG 4.08Å; S177-Y180 WeakPolarHBondContact O-CB 3.42Å; S177-Y180 PolarHBondContact O-N 2.91Å; S177-Y180 VanDerWaalsContact O-N 3.13Å; W178-Y180 VanDerWaalsContact C-N 3.3Å; W178-Y180 PolarHBondContact O-N 3.2Å; Y180-F182 PolarHBondContact O-N 3.49Å; Y180-A183 WeakPolarHBondContact O-CB 3.28Å; Y180-A183 PolarHBondContact O-N 2.93Å; Y180-I184 HydrophobicContact CD1-CD1 4Å; Y180-I184 HydrophobicContact CE1-CD1 3.6Å; Y180-I184 WeakPolarHBondContact O-CG1 3.47Å; Y180-I184 PolarHBondContact O-N 3.29Å; Y180-I184 VanDerWaalsContact O-N 3.13Å |
| 181 | G | 97.4 | Very high | 95.3 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 37% | 0.371 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S177 W178 S179 A183 I184 L185 | S177-G181 PolarHBondContact O-N 3.03Å; W178-G181 CarbonylContact O-C 3.43Å; W178-G181 WeakPolarHBondContact O-CA 3.03Å; W178-G181 PolarHBondContact O-N 3.37Å; W178-G181 VanDerWaalsContact O-N 3.12Å; S179-G181 VanDerWaalsContact C-N 3.32Å; G181-A183 VanDerWaalsContact C-N 3.34Å; G181-A183 PolarHBondContact O-N 2.91Å; G181-I184 WeakPolarHBondContact O-CB 3.46Å; G181-I184 PolarHBondContact O-N 3.16Å; G181-L185 PolarHBondContact O-N 3.32Å |
| 182 | F | 98 | Very high | 95.8 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 27% | 0.272 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.6 | -33 | 174.9 | -74.8 | -49.8 | 0 | 0 | 0 | 112.9 | F30 I33 A34 W178 S179 Y180 I184 L185 S186 | F30-F182 HydrophobicContact CB-CB 4.24Å; F30-F182 HydrophobicContact CB-CD1 4.4Å; F30-F182 AromaticContact CD1-CD1 3.41Å; F30-F182 HydrophobicContact CD1-CD1 3.41Å; F30-F182 VanDerWaalsContact CD1-CD1 3.41Å; F30-F182 AromaticContact CD1-CE1 3.75Å; F30-F182 HydrophobicContact CD1-CE1 3.75Å; F30-F182 HydrophobicContact CD1-CG 4.21Å; F30-F182 AromaticContact CE1-CD1 3.75Å; F30-F182 HydrophobicContact CE1-CD1 3.75Å; F30-F182 AromaticContact CE1-CE1 3.61Å; F30-F182 HydrophobicContact CE1-CE1 3.61Å; F30-F182 AromaticContact CG-CD1 3.93Å; F30-F182 HydrophobicContact CG-CD1 3.93Å; F30-F182 HydrophobicContact CZ-CD1 4.48Å; F30-F182 HydrophobicContact CZ-CE1 4.38Å; I33-F182 HydrophobicContact CG2-CD2 3.54Å; I33-F182 HydrophobicContact CG2-CE2 3.92Å; I33-F182 HydrophobicContact CG2-CG 4.27Å; A34-F182 HydrophobicContact CB-CB 4.27Å; W178-F182 HydrophobicContact CD2-CE2 4.44Å; W178-F182 AromaticContact CE3-CD2 3.46Å; W178-F182 HydrophobicContact CE3-CD2 3.46Å; W178-F182 VanDerWaalsContact CE3-CD2 3.46Å; W178-F182 AromaticContact CE3-CE2 3.42Å; W178-F182 HydrophobicContact CE3-CE2 3.42Å; W178-F182 VanDerWaalsContact CE3-CE2 3.42Å; W178-F182 AromaticContact CZ3-CD2 3.82Å; W178-F182 HydrophobicContact CZ3-CD2 3.82Å; W178-F182 AromaticContact CZ3-CE2 3.79Å; W178-F182 HydrophobicContact CZ3-CE2 3.79Å; W178-F182 WeakPolarHBondContact O-CD2 3.46Å; W178-F182 PolarHBondContact O-N 2.95Å; S179-F182 PolarHBondContact O-N 3.35Å; Y180-F182 PolarHBondContact O-N 3.49Å; F182-I184 VanDerWaalsContact C-N 3.34Å; F182-L185 HydrophobicContact CD1-CD2 4.49Å; F182-L185 PolarHBondContact O-N 2.78Å; F182-S186 VanDerWaalsContact O-CB 3.3Å; F182-S186 WeakPolarHBondContact O-CB 3.38Å; F182-S186 PolarHBondContact O-N 3.02Å |
| 183 | A | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A34 W40 I151 V155 S179 Y180 G181 S186 G187 | A34-A183 HydrophobicContact CB-CB 3.96Å; W40-A183 HydrophobicContact CH2-CB 3.91Å; W40-A183 HydrophobicContact CZ2-CB 3.78Å; I151-A183 WeakPolarHBondContact CG2-O 3.3Å; V155-A183 HydrophobicContact CG2-CB 4.37Å; S179-A183 PolarHBondContact O-N 2.7Å; Y180-A183 WeakPolarHBondContact O-CB 3.28Å; Y180-A183 PolarHBondContact O-N 2.93Å; G181-A183 VanDerWaalsContact C-N 3.34Å; G181-A183 PolarHBondContact O-N 2.91Å; A183-S186 WeakPolarHBondContact O-CB 3.42Å; A183-S186 PolarHBondContact O-N 2.98Å; A183-G187 PolarHBondContact O-N 3.03Å |
| 184 | I | 98.1 | Very high | 96.6 | Very high | 56 Ų | 56 | 39.6 Ų | 39.6 | 29% | 0.287 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.6 | -49.2 | 174.8 | -66.2 | 168.8 | 0 | 0 | 0 | 110.8 | V155 Y180 G181 F182 S186 G187 F188 | V155-I184 HydrophobicContact CB-CG1 4.47Å; V155-I184 HydrophobicContact CG1-CD1 4.06Å; V155-I184 HydrophobicContact CG1-CG1 3.59Å; V155-I184 HydrophobicContact CG2-CG1 3.96Å; Y180-I184 HydrophobicContact CD1-CD1 4Å; Y180-I184 HydrophobicContact CE1-CD1 3.6Å; Y180-I184 WeakPolarHBondContact O-CG1 3.47Å; Y180-I184 PolarHBondContact O-N 3.29Å; Y180-I184 VanDerWaalsContact O-N 3.13Å; G181-I184 WeakPolarHBondContact O-CB 3.46Å; G181-I184 PolarHBondContact O-N 3.16Å; F182-I184 VanDerWaalsContact C-N 3.34Å; I184-S186 VanDerWaalsContact C-N 3.29Å; I184-S186 PolarHBondContact O-N 2.88Å; I184-G187 WeakPolarHBondContact O-CA 3.4Å; I184-G187 PolarHBondContact O-N 3.26Å; I184-F188 HydrophobicContact CG2-CD2 3.73Å; I184-F188 HydrophobicContact CG2-CE2 3.42Å; I184-F188 VanDerWaalsContact CG2-CE2 3.42Å; I184-F188 VanDerWaalsContact O-CD2 3.29Å; I184-F188 WeakPolarHBondContact O-CD2 3.5Å; I184-F188 PolarHBondContact O-N 3.42Å |
| 185 | L | 97.9 | Very high | 96.8 | Very high | 74 Ų | 74 | 43.6 Ų | 43.6 | 39% | 0.387 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.6 | -34.8 | -179 | -172 | 57 | 0 | 0 | 0 | 112.4 | F30 G181 F182 S189 | F30-L185 HydrophobicContact CD2-CB 4.12Å; F30-L185 HydrophobicContact CD2-CD2 3.66Å; F30-L185 HydrophobicContact CD2-CG 3.6Å; F30-L185 HydrophobicContact CE1-CD2 4.43Å; F30-L185 HydrophobicContact CE2-CB 4.44Å; F30-L185 HydrophobicContact CE2-CD2 3.16Å; F30-L185 HydrophobicContact CE2-CG 3.49Å; F30-L185 VanDerWaalsContact CE2-CG 3.49Å; F30-L185 HydrophobicContact CG-CD2 4.47Å; F30-L185 HydrophobicContact CZ-CD2 3.62Å; F30-L185 HydrophobicContact CZ-CG 4.42Å; G181-L185 PolarHBondContact O-N 3.32Å; F182-L185 HydrophobicContact CD1-CD2 4.49Å; F182-L185 PolarHBondContact O-N 2.78Å; L185-S189 WeakPolarHBondContact O-CB 3.35Å; L185-S189 PolarHBondContact O-N 2.89Å; L185-S189 PolarHBondContact O-OG 3.36Å |
| 186 | S | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.2 | -42.3 | 170.2 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | A27 L31 F182 A183 I184 S189 S190 | A27-S186 PolarHBondContact O-OG 3.33Å; L31-S186 WeakPolarHBondContact CB-OG 3.49Å; F182-S186 VanDerWaalsContact O-CB 3.3Å; F182-S186 WeakPolarHBondContact O-CB 3.38Å; F182-S186 PolarHBondContact O-N 3.02Å; A183-S186 WeakPolarHBondContact O-CB 3.42Å; A183-S186 PolarHBondContact O-N 2.98Å; I184-S186 VanDerWaalsContact C-N 3.29Å; I184-S186 PolarHBondContact O-N 2.88Å; S186-S189 PolarHBondContact O-N 3.19Å; S186-S190 VanDerWaalsContact O-CB 3.28Å; S186-S190 WeakPolarHBondContact O-CB 3.26Å; S186-S190 PolarHBondContact O-N 3.04Å; S186-S190 PolarHBondContact O-OG 3.28Å |
| 187 | G | 97.6 | Very high | 96.9 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 9% | 0.093 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.9 | -49.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A183 I184 S190 L191 | A183-G187 PolarHBondContact O-N 3.03Å; I184-G187 WeakPolarHBondContact O-CA 3.4Å; I184-G187 PolarHBondContact O-N 3.26Å; G187-S190 WeakPolarHBondContact O-CB 3.41Å; G187-S190 PolarHBondContact O-N 3.12Å; G187-L191 PolarHBondContact O-N 2.9Å |
| 188 | F | 98.1 | Very high | 97 | Very high | 138 Ų | 138 | 39.1 Ų | 39.1 | 61% | 0.605 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -62.8 | -43.1 | 175.9 | -75.6 | -66.1 | 0 | 0 | 0 | 112.9 | I184 S190 L191 L192 | I184-F188 HydrophobicContact CG2-CD2 3.73Å; I184-F188 HydrophobicContact CG2-CE2 3.42Å; I184-F188 VanDerWaalsContact CG2-CE2 3.42Å; I184-F188 VanDerWaalsContact O-CD2 3.29Å; I184-F188 WeakPolarHBondContact O-CD2 3.5Å; I184-F188 PolarHBondContact O-N 3.42Å; F188-S190 VanDerWaalsContact C-N 3.29Å; F188-S190 PolarHBondContact O-N 2.79Å; F188-L191 WeakPolarHBondContact O-CB 3.31Å; F188-L191 PolarHBondContact O-N 3.49Å; F188-L192 PolarHBondContact O-N 3.43Å |
| 189 | S | 97.5 | Very high | 96.9 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.7 | -36 | 177.3 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | L185 S186 S193 | L185-S189 WeakPolarHBondContact O-CB 3.35Å; L185-S189 PolarHBondContact O-N 2.89Å; L185-S189 PolarHBondContact O-OG 3.36Å; S186-S189 PolarHBondContact O-N 3.19Å; S189-S193 WeakPolarHBondContact O-CB 3.4Å; S189-S193 PolarHBondContact O-N 3.37Å; S189-S193 PolarHBondContact O-OG 3.25Å |
| 190 | S | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.2 | -41.2 | 174.6 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | A27 Q112 T148 S186 G187 F188 S193 A194 | A27-S190 WeakPolarHBondContact CB-OG 3.33Å; Q112-S190 PolarHBondContact NE2-OG 3.4Å; T148-S190 VanDerWaalsContact OG1-CB 3.27Å; T148-S190 WeakPolarHBondContact OG1-CB 3.44Å; S186-S190 VanDerWaalsContact O-CB 3.28Å; S186-S190 WeakPolarHBondContact O-CB 3.26Å; S186-S190 PolarHBondContact O-N 3.04Å; S186-S190 PolarHBondContact O-OG 3.28Å; G187-S190 WeakPolarHBondContact O-CB 3.41Å; G187-S190 PolarHBondContact O-N 3.12Å; F188-S190 VanDerWaalsContact C-N 3.29Å; F188-S190 PolarHBondContact O-N 2.79Å; S190-S193 WeakPolarHBondContact O-CB 3.45Å; S190-S193 PolarHBondContact O-N 3.47Å; S190-A194 WeakPolarHBondContact O-CB 2.75Å; S190-A194 PolarHBondContact O-N 2.8Å |
| 191 | L | 97.8 | Very high | 96.3 | Very high | 77 Ų | 77 | 38.4 Ų | 38.4 | 40% | 0.403 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.1 | -46.7 | 175.4 | 179.7 | 59 | 0 | 0 | 0 | 111.3 | T148 G187 F188 S193 A194 I195 | T148-L191 HydrophobicContact CG2-CB 3.82Å; T148-L191 HydrophobicContact CG2-CD1 4.17Å; T148-L191 HydrophobicContact CG2-CG 4.48Å; T148-L191 PolarHBondContact OG1-N 2.89Å; G187-L191 PolarHBondContact O-N 2.9Å; F188-L191 WeakPolarHBondContact O-CB 3.31Å; F188-L191 PolarHBondContact O-N 3.49Å; L191-S193 VanDerWaalsContact C-N 3.28Å; L191-S193 PolarHBondContact O-N 3.29Å; L191-A194 PolarHBondContact O-N 3.39Å; L191-I195 HydrophobicContact CD1-CD1 3.97Å; L191-I195 HydrophobicContact CD1-CG1 4.26Å; L191-I195 HydrophobicContact CG-CD1 4.01Å; L191-I195 WeakPolarHBondContact O-CG1 3.42Å; L191-I195 PolarHBondContact O-N 3.03Å |
| 192 | L | 97.3 | Very high | 96 | Very high | 84 Ų | 84 | 42.5 Ų | 42.5 | 44% | 0.44 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 176.4 | -178.1 | 61.3 | 0 | 0 | 0 | 111.6 | T19 F188 S196 | T19-L192 HydrophobicContact CG2-CD2 4.08Å; T19-L192 HydrophobicContact CG2-CG 4.47Å; F188-L192 PolarHBondContact O-N 3.43Å; L192-S196 VanDerWaalsContact O-CB 3.29Å; L192-S196 WeakPolarHBondContact O-CB 3.22Å; L192-S196 PolarHBondContact O-N 3.25Å; L192-S196 PolarHBondContact O-OG 3.25Å |
| 193 | S | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -46.4 | 175.3 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | S23 T24 S189 S190 L191 I195 S196 F197 | S23-S193 VanDerWaalsContact CB-OG 3.25Å; S23-S193 WeakPolarHBondContact CB-OG 3.41Å; S23-S193 PolarHBondContact O-OG 2.04Å; S23-S193 PolarHBondContact OG-OG 3.04Å; T24-S193 PolarHBondContact N-OG 3.3Å; S189-S193 WeakPolarHBondContact O-CB 3.4Å; S189-S193 PolarHBondContact O-N 3.37Å; S189-S193 PolarHBondContact O-OG 3.25Å; S190-S193 WeakPolarHBondContact O-CB 3.45Å; S190-S193 PolarHBondContact O-N 3.47Å; L191-S193 VanDerWaalsContact C-N 3.28Å; L191-S193 PolarHBondContact O-N 3.29Å; S193-I195 PolarHBondContact O-N 3.19Å; S193-S196 PolarHBondContact O-N 2.81Å; S193-F197 WeakPolarHBondContact O-CB 3.3Å; S193-F197 VanDerWaalsContact O-CD2 3.3Å; S193-F197 WeakPolarHBondContact O-CD2 3.4Å; S193-F197 PolarHBondContact O-N 2.99Å |
| 194 | A | 97 | Very high | 95.2 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | H144 S190 L191 G198 | H144-A194 HydrophobicContact CB-CB 3.89Å; S190-A194 WeakPolarHBondContact O-CB 2.75Å; S190-A194 PolarHBondContact O-N 2.8Å; L191-A194 PolarHBondContact O-N 3.39Å; A194-G198 WeakPolarHBondContact O-CA 3.45Å; A194-G198 PolarHBondContact O-N 3Å |
| 195 | I | 96.5 | Very high | 94.8 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 47% | 0.467 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.4 | -47.4 | 177.2 | -65.5 | 167.8 | 0 | 0 | 0 | 110.2 | L191 S193 G198 L199 | L191-I195 HydrophobicContact CD1-CD1 3.97Å; L191-I195 HydrophobicContact CD1-CG1 4.26Å; L191-I195 HydrophobicContact CG-CD1 4.01Å; L191-I195 WeakPolarHBondContact O-CG1 3.42Å; L191-I195 PolarHBondContact O-N 3.03Å; S193-I195 PolarHBondContact O-N 3.19Å; I195-G198 PolarHBondContact O-N 3.32Å; I195-L199 HydrophobicContact CG2-CD1 4.07Å; I195-L199 HydrophobicContact CG2-CG 4.38Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 VanDerWaalsContact O-CG 3.28Å; I195-L199 WeakPolarHBondContact O-CG 3.46Å; I195-L199 PolarHBondContact O-N 3.2Å |
| 196 | S | 94.5 | Very high | 94.4 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.4 | -49 | -176.8 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | L192 S193 F200 | L192-S196 VanDerWaalsContact O-CB 3.29Å; L192-S196 WeakPolarHBondContact O-CB 3.22Å; L192-S196 PolarHBondContact O-N 3.25Å; L192-S196 PolarHBondContact O-OG 3.25Å; S193-S196 PolarHBondContact O-N 2.81Å; S196-F200 WeakPolarHBondContact O-CB 2.95Å; S196-F200 PolarHBondContact O-N 2.95Å |
| 197 | F | 95.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.2 | -34.6 | 175.5 | -76.9 | -64.6 | 0 | 0 | 0 | 112.6 | A20 Y21 T24 L119 I137 I140 T141 S193 F200 N201 | A20-F197 HydrophobicContact CB-CD1 4.47Å; A20-F197 HydrophobicContact CB-CD2 4.11Å; A20-F197 HydrophobicContact CB-CE1 4.1Å; A20-F197 HydrophobicContact CB-CE2 3.68Å; A20-F197 HydrophobicContact CB-CG 4.47Å; A20-F197 HydrophobicContact CB-CZ 3.68Å; Y21-F197 HydrophobicContact CD1-CZ 4.04Å; Y21-F197 HydrophobicContact CE1-CE1 4.25Å; Y21-F197 HydrophobicContact CE1-CZ 4.06Å; T24-F197 WeakPolarHBondContact OG1-CE2 3.06Å; L119-F197 HydrophobicContact CD1-CE1 4.32Å; L119-F197 HydrophobicContact CD1-CZ 3.79Å; I137-F197 HydrophobicContact CG2-CD1 4.36Å; I140-F197 HydrophobicContact CG2-CD1 4.45Å; I140-F197 HydrophobicContact CG2-CD2 3.72Å; I140-F197 HydrophobicContact CG2-CE2 3.92Å; I140-F197 HydrophobicContact CG2-CG 4.03Å; I140-F197 HydrophobicContact CG2-CZ 4.37Å; T141-F197 WeakPolarHBondContact OG1-CB 3.3Å; S193-F197 WeakPolarHBondContact O-CB 3.3Å; S193-F197 VanDerWaalsContact O-CD2 3.3Å; S193-F197 WeakPolarHBondContact O-CD2 3.4Å; S193-F197 PolarHBondContact O-N 2.99Å; F197-F200 HydrophobicContact CD1-CD1 4.47Å; F197-F200 PolarHBondContact O-N 3.02Å; F197-N201 WeakPolarHBondContact O-CB 3.23Å; F197-N201 PolarHBondContact O-N 3.04Å |
| 198 | G | 94.6 | Very high | 93.3 | Very high | 16 Ų | 16 | 54.6 Ų | 54.6 | 17% | 0.165 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A194 I195 F200 N201 K202 | A194-G198 WeakPolarHBondContact O-CA 3.45Å; A194-G198 PolarHBondContact O-N 3Å; I195-G198 PolarHBondContact O-N 3.32Å; G198-F200 VanDerWaalsContact C-N 3.32Å; G198-N201 PolarHBondContact O-N 3.45Å; G198-K202 WeakPolarHBondContact O-CG 3.13Å; G198-K202 PolarHBondContact O-N 3.03Å |
| 199 | L | 93.5 | Very high | 92.8 | Very high | 82 Ų | 82 | 53.6 Ų | 53.6 | 43% | 0.429 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 172.7 | -69.8 | 177.7 | 0 | 0 | 0 | 111.3 | R16 I195 K202 E203 | R16-L199 VanDerWaalsContact NH2-CB 3.34Å; I195-L199 HydrophobicContact CG2-CD1 4.07Å; I195-L199 HydrophobicContact CG2-CG 4.38Å; I195-L199 WeakPolarHBondContact O-CB 3.37Å; I195-L199 VanDerWaalsContact O-CG 3.28Å; I195-L199 WeakPolarHBondContact O-CG 3.46Å; I195-L199 PolarHBondContact O-N 3.2Å; L199-K202 PolarHBondContact O-N 3.45Å; L199-E203 PolarHBondContact O-N 2.84Å |
| 200 | F | 90.5 | Very high | 92.3 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 176.5 | 176.4 | -130.3 | 0 | 0 | 0 | 112.3 | Y17 I137 S196 F197 G198 K202 E203 L204 | Y17-F200 AromaticContact CE1-CD1 3.89Å; Y17-F200 HydrophobicContact CE1-CD1 3.89Å; Y17-F200 AromaticContact CE1-CD2 4Å; Y17-F200 HydrophobicContact CE1-CD2 4Å; Y17-F200 AromaticContact CE1-CE1 3.52Å; Y17-F200 HydrophobicContact CE1-CE1 3.52Å; Y17-F200 AromaticContact CE1-CE2 3.75Å; Y17-F200 HydrophobicContact CE1-CE2 3.75Å; Y17-F200 HydrophobicContact CE1-CG 4.12Å; Y17-F200 AromaticContact CE1-CZ 3.48Å; Y17-F200 HydrophobicContact CE1-CZ 3.48Å; Y17-F200 VanDerWaalsContact CE1-CZ 3.48Å; Y17-F200 AromaticContact CZ-CD2 3.81Å; Y17-F200 AromaticContact CZ-CE2 3.43Å; Y17-F200 VanDerWaalsContact CZ-CE2 3.43Å; Y17-F200 AromaticContact CZ-CZ 3.56Å; Y17-F200 WeakPolarHBondContact OH-CE2 3.37Å; Y17-F200 WeakPolarHBondContact OH-CZ 3.37Å; I137-F200 HydrophobicContact CD1-CD1 3.85Å; I137-F200 HydrophobicContact CD1-CE1 3.14Å; I137-F200 HydrophobicContact CD1-CZ 3.74Å; I137-F200 HydrophobicContact CG1-CD1 4.13Å; I137-F200 HydrophobicContact CG1-CE1 3.74Å; I137-F200 HydrophobicContact CG2-CD1 3.69Å; I137-F200 HydrophobicContact CG2-CE1 4.16Å; S196-F200 WeakPolarHBondContact O-CB 2.95Å; S196-F200 PolarHBondContact O-N 2.95Å; F197-F200 HydrophobicContact CD1-CD1 4.47Å; F197-F200 PolarHBondContact O-N 3.02Å; G198-F200 VanDerWaalsContact C-N 3.32Å; F200-K202 VanDerWaalsContact C-N 3.29Å; F200-K202 PolarHBondContact O-N 3.46Å; F200-E203 PolarHBondContact O-N 3.36Å; F200-L204 HydrophobicContact CE2-CB 4.45Å; F200-L204 WeakPolarHBondContact O-CB 3.43Å; F200-L204 PolarHBondContact O-N 3.25Å |
| 201 | N | 91 | Very high | 91.6 | Very high | 18 Ų | 18 | 58.5 Ų | 58.5 | 10% | 0.096 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 174.6 | -168.1 | 16.3 | 0 | 0 | 0 | 111.6 | I137 S138 F197 G198 R205 | I137-N201 HydrophobicContact CG2-CB 3.91Å; S138-N201 WeakPolarHBondContact CB-ND2 3.49Å; S138-N201 PolarHBondContact OG-ND2 3.13Å; F197-N201 WeakPolarHBondContact O-CB 3.23Å; F197-N201 PolarHBondContact O-N 3.04Å; G198-N201 PolarHBondContact O-N 3.45Å; N201-R205 WeakPolarHBondContact O-CB 3.36Å; N201-R205 PolarHBondContact O-N 3.48Å |
| 202 | K | 92.1 | Very high | 90.9 | Very high | 122 Ų | 122 | 59.1 Ų | 59.1 | 53% | 0.53 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 175.9 | -74.2 | 178.4 | 178.9 | -179.8 | 0 | 112.2 | G198 L199 F200 R206 | G198-K202 WeakPolarHBondContact O-CG 3.13Å; G198-K202 PolarHBondContact O-N 3.03Å; L199-K202 PolarHBondContact O-N 3.45Å; F200-K202 VanDerWaalsContact C-N 3.29Å; F200-K202 PolarHBondContact O-N 3.46Å; K202-R206 WeakPolarHBondContact O-CG 3.44Å; K202-R206 PolarHBondContact O-N 3.36Å; K202-R206 PolarHBondContact O-NH1 3.12Å |
| 203 | E | 89.7 | Confident | 90.2 | Very high | 62 Ų | 62 | 61.1 Ų | 61.1 | 29% | 0.29 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.4 | -50.8 | 176.9 | -169.8 | 170.1 | 179.7 | 0 | 0 | 111.1 | R16 L199 F200 R205 R206 D207 | R16-E203 IonicContact CZ-OE2 2.78Å; R16-E203 IonicContact NH1-OE2 3.28Å; R16-E203 PolarHBondContact NH1-OE2 3.33Å; R16-E203 IonicContact NH2-OE2 3.87Å; R16-E203 PolarHBondContact NH2-OE2 3.39Å; L199-E203 PolarHBondContact O-N 2.84Å; F200-E203 PolarHBondContact O-N 3.36Å; E203-R205 VanDerWaalsContact C-N 3.27Å; E203-R205 PolarHBondContact O-N 3.03Å; E203-R206 WeakPolarHBondContact O-CB 3.39Å; E203-R206 PolarHBondContact O-N 3.22Å; E203-D207 PolarHBondContact O-N 3.05Å |
| 204 | L | 87.8 | Confident | 89.3 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.8 | -40.4 | 176.6 | 179.7 | 61.6 | 0 | 0 | 0 | 112.4 | V130 I137 F200 D207 I208 | V130-L204 HydrophobicContact CG1-CD1 4.24Å; I137-L204 HydrophobicContact CD1-CD2 3.5Å; F200-L204 HydrophobicContact CE2-CB 4.45Å; F200-L204 WeakPolarHBondContact O-CB 3.43Å; F200-L204 PolarHBondContact O-N 3.25Å; L204-D207 PolarHBondContact O-N 3.27Å; L204-I208 HydrophobicContact CD1-CD1 4.35Å; L204-I208 HydrophobicContact CG-CD1 4.08Å; L204-I208 WeakPolarHBondContact O-CD1 3.32Å; L204-I208 VanDerWaalsContact O-CG1 3.23Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 2.82Å |
| 205 | R | 89.3 | Confident | 88.1 | Confident | 137 Ų | 137 | 69.9 Ų | 69.9 | 52% | 0.517 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 177.2 | -173.6 | 177.8 | -67.6 | -127.8 | -0.3 | 112.2 | N201 E203 I208 Q209 | N201-R205 WeakPolarHBondContact O-CB 3.36Å; N201-R205 PolarHBondContact O-N 3.48Å; E203-R205 VanDerWaalsContact C-N 3.27Å; E203-R205 PolarHBondContact O-N 3.03Å; R205-I208 PolarHBondContact O-N 3.05Å; R205-Q209 WeakPolarHBondContact O-CG 3.48Å; R205-Q209 PolarHBondContact O-N 3.39Å; R205-Q209 VanDerWaalsContact O-N 3.12Å |
| 206 | R | 89.8 | Confident | 86.8 | Confident | 142 Ų | 142 | 68.9 Ų | 68.9 | 54% | 0.536 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 176.1 | -69.9 | -179.9 | -167.5 | 104.8 | -7.2 | 110.9 | K202 E203 I208 Q209 T210 | K202-R206 WeakPolarHBondContact O-CG 3.44Å; K202-R206 PolarHBondContact O-N 3.36Å; K202-R206 PolarHBondContact O-NH1 3.12Å; E203-R206 WeakPolarHBondContact O-CB 3.39Å; E203-R206 PolarHBondContact O-N 3.22Å; R206-I208 VanDerWaalsContact C-N 3.31Å; R206-I208 PolarHBondContact O-N 3.46Å; R206-Q209 WeakPolarHBondContact O-CB 3.44Å; R206-Q209 PolarHBondContact O-N 2.91Å; R206-Q209 VanDerWaalsContact O-N 3.12Å; R206-T210 WeakPolarHBondContact O-CG2 3.39Å; R206-T210 PolarHBondContact O-N 3.12Å; R206-T210 PolarHBondContact O-OG1 3.26Å |
| 207 | D | 87 | Confident | 85.1 | Confident | 51 Ų | 51 | 73.9 Ų | 73.9 | 27% | 0.273 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 178.4 | -68.6 | -12.6 | 0 | 0 | 0 | 112 | E203 L204 T210 L211 | E203-D207 PolarHBondContact O-N 3.05Å; L204-D207 PolarHBondContact O-N 3.27Å; D207-T210 WeakPolarHBondContact CA-OG1 3.23Å; D207-T210 PolarHBondContact O-N 2.96Å; D207-T210 PolarHBondContact O-OG1 2.82Å; D207-L211 WeakPolarHBondContact O-CB 3.49Å; D207-L211 WeakPolarHBondContact O-CG 3.21Å; D207-L211 PolarHBondContact O-N 3.11Å |
| 208 | I | 86.6 | Confident | 84 | Confident | 46 Ų | 46 | 76.2 Ų | 76.2 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 174.5 | -67.1 | 162.7 | 0 | 0 | 0 | 110.4 | V130 L204 R205 R206 L211 V212 | V130-I208 HydrophobicContact CG1-CD1 3.61Å; V130-I208 HydrophobicContact CG1-CG1 3.54Å; L204-I208 HydrophobicContact CD1-CD1 4.35Å; L204-I208 HydrophobicContact CG-CD1 4.08Å; L204-I208 WeakPolarHBondContact O-CD1 3.32Å; L204-I208 VanDerWaalsContact O-CG1 3.23Å; L204-I208 WeakPolarHBondContact O-CG1 3.47Å; L204-I208 PolarHBondContact O-N 2.82Å; R205-I208 PolarHBondContact O-N 3.05Å; R206-I208 VanDerWaalsContact C-N 3.31Å; R206-I208 PolarHBondContact O-N 3.46Å; I208-L211 PolarHBondContact O-N 3.37Å; I208-V212 HydrophobicContact CG2-CG2 4.34Å; I208-V212 VanDerWaalsContact O-CG2 3.25Å; I208-V212 WeakPolarHBondContact O-CG2 3.37Å; I208-V212 PolarHBondContact O-N 3.1Å |
| 209 | Q | 88 | Confident | 82.7 | Confident | 117 Ų | 117 | 79.3 Ų | 79.3 | 55% | 0.547 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 179.2 | -73 | 176.7 | -33.4 | 0 | 0 | 112 | R205 R206 L211 V212 L213 | R205-Q209 WeakPolarHBondContact O-CG 3.48Å; R205-Q209 PolarHBondContact O-N 3.39Å; R205-Q209 VanDerWaalsContact O-N 3.12Å; R206-Q209 WeakPolarHBondContact O-CB 3.44Å; R206-Q209 PolarHBondContact O-N 2.91Å; R206-Q209 VanDerWaalsContact O-N 3.12Å; Q209-L211 VanDerWaalsContact C-N 3.32Å; Q209-L211 PolarHBondContact O-N 3.46Å; Q209-V212 PolarHBondContact O-N 3.46Å; Q209-L213 WeakPolarHBondContact O-CG 3.4Å; Q209-L213 PolarHBondContact O-N 2.99Å; Q209-L213 VanDerWaalsContact O-N 3.1Å |
| 210 | T | 86 | Confident | 81.7 | Confident | 82 Ų | 82 | 83 Ų | 83 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 177.3 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | R206 D207 L213 E214 | R206-T210 WeakPolarHBondContact O-CG2 3.39Å; R206-T210 PolarHBondContact O-N 3.12Å; R206-T210 PolarHBondContact O-OG1 3.26Å; D207-T210 WeakPolarHBondContact CA-OG1 3.23Å; D207-T210 PolarHBondContact O-N 2.96Å; D207-T210 PolarHBondContact O-OG1 2.82Å; T210-L213 PolarHBondContact O-N 3.32Å; T210-E214 PolarHBondContact O-N 3.45Å; T210-E214 VanDerWaalsContact O-N 3.11Å |
| 211 | L | 82.7 | Confident | 80.9 | Confident | 37 Ų | 37 | 86.3 Ų | 86.3 | 19% | 0.194 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65 | -45.7 | 176.9 | -73.8 | 171.4 | 0 | 0 | 0 | 111.1 | I3 D207 I208 Q209 L213 E214 F215 | I3-L211 HydrophobicContact CD1-CD1 3.66Å; I3-L211 HydrophobicContact CG1-CD1 4.27Å; I3-L211 HydrophobicContact CG2-CD1 4.38Å; D207-L211 WeakPolarHBondContact O-CB 3.49Å; D207-L211 WeakPolarHBondContact O-CG 3.21Å; D207-L211 PolarHBondContact O-N 3.11Å; I208-L211 PolarHBondContact O-N 3.37Å; Q209-L211 VanDerWaalsContact C-N 3.32Å; Q209-L211 PolarHBondContact O-N 3.46Å; L211-L213 VanDerWaalsContact C-N 3.26Å; L211-L213 PolarHBondContact O-N 3.34Å; L211-E214 PolarHBondContact O-N 2.93Å; L211-F215 HydrophobicContact CB-CE2 4.05Å; L211-F215 WeakPolarHBondContact O-CD2 3.25Å; L211-F215 VanDerWaalsContact O-CE2 3.23Å; L211-F215 WeakPolarHBondContact O-CE2 3.3Å; L211-F215 PolarHBondContact O-N 3.11Å |
| 212 | V | 83.6 | Confident | 80.1 | Confident | 90 Ų | 90 | 92.8 Ų | 92.8 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -56 | -40.8 | 177.2 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | I208 Q209 P216 | I208-V212 HydrophobicContact CG2-CG2 4.34Å; I208-V212 VanDerWaalsContact O-CG2 3.25Å; I208-V212 WeakPolarHBondContact O-CG2 3.37Å; I208-V212 PolarHBondContact O-N 3.1Å; Q209-V212 PolarHBondContact O-N 3.46Å; V212-P216 VanDerWaalsContact O-CD 3.3Å; V212-P216 WeakPolarHBondContact O-CD 3.25Å |
| 213 | L | 82.1 | Confident | 79.5 | Confident | 127 Ų | 127 | 90.3 Ų | 90.3 | 67% | 0.665 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -70.7 | -29.6 | 177 | -68.8 | 170.7 | 0 | 0 | 0 | 113.7 | Q209 T210 L211 P216 | Q209-L213 WeakPolarHBondContact O-CG 3.4Å; Q209-L213 PolarHBondContact O-N 2.99Å; Q209-L213 VanDerWaalsContact O-N 3.1Å; T210-L213 PolarHBondContact O-N 3.32Å; L211-L213 VanDerWaalsContact C-N 3.26Å; L211-L213 PolarHBondContact O-N 3.34Å; L213-P216 VanDerWaalsContact O-CD 3.31Å; L213-P216 WeakPolarHBondContact O-CD 3.31Å; L213-P216 WeakPolarHBondContact O-CG 3.31Å |
| 214 | E | 78.7 | Confident | 79.2 | Confident | 118 Ų | 118 | 96 Ų | 96 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -75.9 | -30.7 | -179.1 | -165.2 | 179.5 | 175.5 | 0 | 0 | 112.9 | T210 L211 M217 S218 | T210-E214 PolarHBondContact O-N 3.45Å; T210-E214 VanDerWaalsContact O-N 3.11Å; L211-E214 PolarHBondContact O-N 2.93Å; E214-M217 WeakPolarHBondContact O-CB 3.28Å; E214-M217 PolarHBondContact O-N 3.07Å; E214-S218 PolarHBondContact O-N 3.18Å |
| 215 | F | 71 | Confident | 78.9 | Confident | 74 Ų | 74 | 103.8 Ų | 103.8 | 33% | 0.325 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57 | -48.1 | -178.7 | -74.4 | -72.4 | 0 | 0 | 0 | 115.7 | M1 L211 M217 S218 T219 | M1-F215 HydrophobicContact CE-CD1 3.81Å; M1-F215 HydrophobicContact CE-CD2 3.28Å; M1-F215 HydrophobicContact CE-CE1 3.61Å; M1-F215 HydrophobicContact CE-CE2 3.09Å; M1-F215 HydrophobicContact CE-CG 3.68Å; M1-F215 HydrophobicContact CE-CZ 3.27Å; M1-F215 HydrophobicContact CG-CZ 4.11Å; M1-F215 HydrophobicContact SD-CD2 4.07Å; M1-F215 HydrophobicContact SD-CE1 4.15Å; M1-F215 HydrophobicContact SD-CE2 3.25Å; M1-F215 WeakPolarHBondContact SD-CE2 2.85Å; M1-F215 HydrophobicContact SD-CZ 3.31Å; M1-F215 WeakPolarHBondContact SD-CZ 3.45Å; L211-F215 HydrophobicContact CB-CE2 4.05Å; L211-F215 WeakPolarHBondContact O-CD2 3.25Å; L211-F215 VanDerWaalsContact O-CE2 3.23Å; L211-F215 WeakPolarHBondContact O-CE2 3.3Å; L211-F215 PolarHBondContact O-N 3.11Å; F215-M217 PolarHBondContact O-N 3.31Å; F215-S218 PolarHBondContact O-N 2.78Å; F215-S218 VanDerWaalsContact O-N 3.16Å; F215-T219 WeakPolarHBondContact O-CG2 3.23Å; F215-T219 PolarHBondContact O-N 3.27Å; F215-T219 PolarHBondContact O-OG1 3.04Å |
| 216 | P | 69.3 | Low | 78.6 | Confident | 70 Ų | 70 | 106 Ų | 106 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -29.6 | 178.5 | 25.5 | -35.3 | 0 | 0 | 0 | 112.2 | V212 L213 T219 K220 | V212-P216 VanDerWaalsContact O-CD 3.3Å; V212-P216 WeakPolarHBondContact O-CD 3.25Å; L213-P216 VanDerWaalsContact O-CD 3.31Å; L213-P216 WeakPolarHBondContact O-CD 3.31Å; L213-P216 WeakPolarHBondContact O-CG 3.31Å; P216-T219 PolarHBondContact O-OG1 3.3Å; P216-K220 WeakPolarHBondContact O-CB 3.48Å; P216-K220 VanDerWaalsContact O-CG 3.28Å; P216-K220 WeakPolarHBondContact O-CG 3.29Å; P216-K220 PolarHBondContact O-N 3.44Å; P216-K220 VanDerWaalsContact O-N 3.14Å |
| 217 | M | 59.8 | Low | 78 | Confident | 121 Ų | 121 | 107.3 Ų | 107.3 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.4 | -43.9 | 172.9 | -109 | -160.3 | -69.5 | 0 | 0 | 111.3 | E214 F215 T219 K220 I221 | E214-M217 WeakPolarHBondContact O-CB 3.28Å; E214-M217 PolarHBondContact O-N 3.07Å; F215-M217 PolarHBondContact O-N 3.31Å; M217-T219 PolarHBondContact O-N 3.25Å; M217-K220 PolarHBondContact O-N 3.34Å; M217-I221 HydrophobicContact CB-CD1 4.5Å; M217-I221 WeakPolarHBondContact O-CB 3.34Å; M217-I221 WeakPolarHBondContact O-CD1 3.48Å; M217-I221 WeakPolarHBondContact O-CG1 3.44Å; M217-I221 PolarHBondContact O-N 3.3Å |
| 218 | S | 70.5 | Confident | 77.9 | Confident | 53 Ų | 53 | 111 Ų | 111 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 178.5 | -178.1 | 0 | 0 | 0 | 0 | 112 | E214 F215 I221 K222 | E214-S218 PolarHBondContact O-N 3.18Å; F215-S218 PolarHBondContact O-N 2.78Å; F215-S218 VanDerWaalsContact O-N 3.16Å; S218-I221 PolarHBondContact O-N 3.43Å; S218-K222 VanDerWaalsContact O-CB 3.29Å; S218-K222 WeakPolarHBondContact O-CB 3.41Å; S218-K222 PolarHBondContact O-N 2.78Å |
| 219 | T | 69 | Low | 77.7 | Confident | 80 Ų | 80 | 113.1 Ų | 113.1 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 174.2 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | F215 P216 M217 I221 K222 T223 | F215-T219 WeakPolarHBondContact O-CG2 3.23Å; F215-T219 PolarHBondContact O-N 3.27Å; F215-T219 PolarHBondContact O-OG1 3.04Å; P216-T219 PolarHBondContact O-OG1 3.3Å; M217-T219 PolarHBondContact O-N 3.25Å; T219-I221 VanDerWaalsContact C-N 3.33Å; T219-I221 PolarHBondContact O-N 3.16Å; T219-K222 PolarHBondContact O-N 2.76Å; T219-T223 WeakPolarHBondContact O-CB 3.49Å; T219-T223 PolarHBondContact O-N 3.41Å; T219-T223 PolarHBondContact O-OG1 3.46Å |
| 220 | K | 72.2 | Confident | 77.3 | Confident | 160 Ų | 160 | 111 Ų | 111 | 70% | 0.696 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.5 | -42.6 | 174.9 | -76.1 | -177.7 | -179.5 | -175.5 | 0 | 112.1 | P216 M217 R224 | P216-K220 WeakPolarHBondContact O-CB 3.48Å; P216-K220 VanDerWaalsContact O-CG 3.28Å; P216-K220 WeakPolarHBondContact O-CG 3.29Å; P216-K220 PolarHBondContact O-N 3.44Å; P216-K220 VanDerWaalsContact O-N 3.14Å; M217-K220 PolarHBondContact O-N 3.34Å; K220-R224 WeakPolarHBondContact O-CB 3.16Å; K220-R224 PolarHBondContact O-N 2.91Å |
| 221 | I | 73.1 | Confident | 77.1 | Confident | 88 Ų | 88 | 115.4 Ų | 115.4 | 45% | 0.451 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.5 | -44.7 | 177.8 | -68 | 164.1 | 0 | 0 | 0 | 111 | M217 S218 T219 R224 R225 | M217-I221 HydrophobicContact CB-CD1 4.5Å; M217-I221 WeakPolarHBondContact O-CB 3.34Å; M217-I221 WeakPolarHBondContact O-CD1 3.48Å; M217-I221 WeakPolarHBondContact O-CG1 3.44Å; M217-I221 PolarHBondContact O-N 3.3Å; S218-I221 PolarHBondContact O-N 3.43Å; T219-I221 VanDerWaalsContact C-N 3.33Å; T219-I221 PolarHBondContact O-N 3.16Å; I221-R224 PolarHBondContact O-N 2.86Å; I221-R225 WeakPolarHBondContact O-CB 3.2Å; I221-R225 WeakPolarHBondContact O-CG 3.41Å; I221-R225 PolarHBondContact O-N 3.14Å |
| 222 | K | 74.8 | Confident | 76.9 | Confident | 153 Ų | 153 | 123 Ų | 123 | 67% | 0.665 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.4 | -46.9 | 175.7 | -103.9 | -177.6 | 172.7 | 178.6 | 0 | 111.6 | S218 T219 R224 R225 R226 | S218-K222 VanDerWaalsContact O-CB 3.29Å; S218-K222 WeakPolarHBondContact O-CB 3.41Å; S218-K222 PolarHBondContact O-N 2.78Å; T219-K222 PolarHBondContact O-N 2.76Å; K222-R224 VanDerWaalsContact C-N 3.34Å; K222-R224 PolarHBondContact O-N 2.86Å; K222-R225 PolarHBondContact O-N 3.37Å; K222-R226 WeakPolarHBondContact O-CB 3.18Å; K222-R226 PolarHBondContact O-N 3.29Å |
| 223 | T | 79.6 | Confident | 76.5 | Confident | 71 Ų | 71 | 125.9 Ų | 125.9 | 44% | 0.436 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59 | -48 | 176.1 | -61.5 | 0 | 0 | 0 | 0 | 109.4 | T219 R225 R226 W227 | T219-T223 WeakPolarHBondContact O-CB 3.49Å; T219-T223 PolarHBondContact O-N 3.41Å; T219-T223 PolarHBondContact O-OG1 3.46Å; T223-R225 PolarHBondContact O-N 2.85Å; T223-R226 PolarHBondContact O-N 2.88Å; T223-R226 VanDerWaalsContact O-N 3.14Å; T223-W227 PolarHBondContact O-N 3.11Å |
| 224 | R | 82.1 | Confident | 76.1 | Confident | 180 Ų | 180 | 128.1 Ų | 128.1 | 68% | 0.679 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.3 | -41.6 | 175.4 | -167 | 176.9 | -168.9 | -171.3 | 3.5 | 112.7 | K220 I221 K222 K228 | K220-R224 WeakPolarHBondContact O-CB 3.16Å; K220-R224 PolarHBondContact O-N 2.91Å; I221-R224 PolarHBondContact O-N 2.86Å; K222-R224 VanDerWaalsContact C-N 3.34Å; K222-R224 PolarHBondContact O-N 2.86Å; R224-K228 WeakPolarHBondContact O-CG 3.41Å; R224-K228 PolarHBondContact O-N 3.43Å; R224-K228 VanDerWaalsContact O-N 3.11Å |
| 225 | R | 81.2 | Confident | 75.6 | Confident | 182 Ų | 182 | 126.2 Ų | 126.2 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.2 | -41.6 | 174.3 | -78 | -175.5 | -179.6 | -171.4 | 1.3 | 112 | I221 K222 T223 K228 L229 | I221-R225 WeakPolarHBondContact O-CB 3.2Å; I221-R225 WeakPolarHBondContact O-CG 3.41Å; I221-R225 PolarHBondContact O-N 3.14Å; K222-R225 PolarHBondContact O-N 3.37Å; T223-R225 PolarHBondContact O-N 2.85Å; R225-K228 PolarHBondContact O-N 3.33Å; R225-L229 PolarHBondContact O-N 3.5Å; R225-L229 VanDerWaalsContact O-N 3.11Å |
| 226 | R | 83.1 | Confident | 75.3 | Confident | 183 Ų | 183 | 130.8 Ų | 130.8 | 69% | 0.691 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.2 | -46 | 177.5 | -169.7 | 177.1 | -179.9 | -174.1 | -0.8 | 111.5 | K222 T223 K228 L229 I230 | K222-R226 WeakPolarHBondContact O-CB 3.18Å; K222-R226 PolarHBondContact O-N 3.29Å; T223-R226 PolarHBondContact O-N 2.88Å; T223-R226 VanDerWaalsContact O-N 3.14Å; R226-K228 VanDerWaalsContact C-N 3.35Å; R226-K228 PolarHBondContact O-N 3.37Å; R226-L229 PolarHBondContact O-N 3.4Å; R226-L229 VanDerWaalsContact O-N 3.13Å; R226-I230 HydrophobicContact CG-CD1 4.2Å; R226-I230 WeakPolarHBondContact O-CG1 3.47Å; R226-I230 PolarHBondContact O-N 2.81Å |
| 227 | W | 78.6 | Confident | 74.8 | Confident | 171 Ų | 171 | 136.2 Ų | 136.2 | 65% | 0.648 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -60.5 | -40.4 | 174.4 | -81.8 | 101.4 | 0 | 0 | 0 | 112.8 | T223 L229 I230 K231 | T223-W227 PolarHBondContact O-N 3.11Å; W227-L229 VanDerWaalsContact C-N 3.3Å; W227-L229 PolarHBondContact O-N 3.13Å; W227-I230 PolarHBondContact O-N 2.89Å; W227-K231 WeakPolarHBondContact O-CB 3.46Å; W227-K231 PolarHBondContact O-N 3.14Å |
| 228 | K | 84.1 | Confident | 74.7 | Confident | 128 Ų | 128 | 133.9 Ų | 133.9 | 56% | 0.557 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.4 | -31 | 174.4 | -77.4 | -170.8 | 179.8 | -169.7 | 0 | 113.5 | R224 R225 R226 R232 | R224-K228 WeakPolarHBondContact O-CG 3.41Å; R224-K228 PolarHBondContact O-N 3.43Å; R224-K228 VanDerWaalsContact O-N 3.11Å; R225-K228 PolarHBondContact O-N 3.33Å; R226-K228 VanDerWaalsContact C-N 3.35Å; R226-K228 PolarHBondContact O-N 3.37Å; K228-R232 PolarHBondContact O-N 3.21Å |
| 229 | L | 81.7 | Confident | 74.2 | Confident | 90 Ų | 90 | 137.7 Ų | 137.7 | 47% | 0.471 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -76.2 | -41.2 | 176 | -73.4 | 168.5 | 0 | 0 | 0 | 111.6 | R225 R226 W227 K231 R232 H233 | R225-L229 PolarHBondContact O-N 3.5Å; R225-L229 VanDerWaalsContact O-N 3.11Å; R226-L229 PolarHBondContact O-N 3.4Å; R226-L229 VanDerWaalsContact O-N 3.13Å; W227-L229 VanDerWaalsContact C-N 3.3Å; W227-L229 PolarHBondContact O-N 3.13Å; L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 3.11Å; L229-R232 PolarHBondContact O-N 3.44Å; L229-H233 PolarHBondContact O-N 3.09Å; L229-H233 PolarHBondContact O-ND1 3.27Å |
| 230 | I | 81.1 | Confident | 73.7 | Confident | 72 Ų | 72 | 139.4 Ų | 139.4 | 37% | 0.369 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -59.8 | -45 | 174.3 | -68.7 | 167.8 | 0 | 0 | 0 | 110.3 | R226 W227 R232 H233 W234 | R226-I230 HydrophobicContact CG-CD1 4.2Å; R226-I230 WeakPolarHBondContact O-CG1 3.47Å; R226-I230 PolarHBondContact O-N 2.81Å; W227-I230 PolarHBondContact O-N 2.89Å; I230-R232 PolarHBondContact O-N 2.9Å; I230-H233 CarbonylContact O-C 3.57Å; I230-H233 PolarHBondContact O-N 3.24Å; I230-H233 VanDerWaalsContact O-N 3.09Å; I230-W234 HydrophobicContact CG2-CE3 3.95Å; I230-W234 HydrophobicContact CG2-CZ3 4.08Å; I230-W234 PolarHBondContact O-N 2.98Å |
| 231 | K | 80.4 | Confident | 73.1 | Confident | 176 Ų | 176 | 138.3 Ų | 138.3 | 77% | 0.765 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.8 | -29.9 | 179.2 | -159.4 | 173.5 | -165.4 | 179.9 | 0 | 113.4 | W227 L229 | W227-K231 WeakPolarHBondContact O-CB 3.46Å; W227-K231 PolarHBondContact O-N 3.14Å; L229-K231 VanDerWaalsContact C-N 3.33Å; L229-K231 PolarHBondContact O-N 3.11Å |
| 232 | R | 78.9 | Confident | 72.2 | Confident | 196 Ų | 196 | 142.1 Ų | 142.1 | 74% | 0.74 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.9 | -25 | 175.7 | -85 | -166.7 | -87.8 | -172 | -4.3 | 113.8 | K228 L229 I230 | K228-R232 PolarHBondContact O-N 3.21Å; L229-R232 PolarHBondContact O-N 3.44Å; I230-R232 PolarHBondContact O-N 2.9Å |
| 233 | H | 75.7 | Confident | 71.1 | Confident | 151 Ų | 151 | 140 Ų | 140 | 70% | 0.699 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 12.8 | 177.2 | -65.1 | 82.7 | 0 | 0 | 0 | 111.9 | L229 I230 P235 | L229-H233 PolarHBondContact O-N 3.09Å; L229-H233 PolarHBondContact O-ND1 3.27Å; I230-H233 CarbonylContact O-C 3.57Å; I230-H233 PolarHBondContact O-N 3.24Å; I230-H233 VanDerWaalsContact O-N 3.09Å; H233-P235 VanDerWaalsContact O-CD 3.27Å; H233-P235 WeakPolarHBondContact O-CD 3.27Å |
| 234 | W | 72.7 | Confident | 69.6 | Low | 173 Ų | 173 | 142.4 Ų | 142.4 | 66% | 0.655 | 68% | 0.675 | S | S | * | * | trans | -70.7 | 116.7 | 178 | -159.7 | -85.2 | 0 | 0 | 0 | 107.9 | I230 E236 | I230-W234 HydrophobicContact CG2-CE3 3.95Å; I230-W234 HydrophobicContact CG2-CZ3 4.08Å; I230-W234 PolarHBondContact O-N 2.98Å; W234-E236 PolarHBondContact O-N 3.23Å | ||
| 235 | P | 68.5 | Low | 68 | Low | 79 Ų | 79 | 139.6 Ų | 139.6 | 51% | 0.513 | 67% | 0.674 | S | S | . | * | trans | -64.4 | 126 | -178 | 23.6 | -29.9 | 0 | 0 | 0 | 109.7 | H233 E237 A238 | H233-P235 VanDerWaalsContact O-CD 3.27Å; H233-P235 WeakPolarHBondContact O-CD 3.27Å; P235-E237 PolarHBondContact O-N 3.06Å; P235-E237 VanDerWaalsContact O-N 3.12Å; P235-A238 PolarHBondContact O-N 3.49Å | ||
| 236 | E | 65.8 | Low | 66.3 | Low | 170 Ų | 170 | 139.5 Ų | 139.5 | 79% | 0.794 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -59.4 | -18.4 | 175.6 | -153.5 | 98 | -172.8 | 0 | 0 | 111.8 | W234 A238 | W234-E236 PolarHBondContact O-N 3.23Å; E236-A238 PolarHBondContact O-N 2.96Å |
| 237 | E | 58.9 | Low | 64.3 | Low | 183 Ų | 183 | 135.4 Ų | 135.4 | 86% | 0.855 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -71.4 | -6 | -175.6 | -64.9 | 174.1 | -175.2 | 0 | 0 | 114.5 | P235 L239 | P235-E237 PolarHBondContact O-N 3.06Å; P235-E237 VanDerWaalsContact O-N 3.12Å; E237-L239 PolarHBondContact O-N 3.39Å |
| 238 | A | 57.4 | Low | 62.3 | Low | 73 Ų | 73 | 135.9 Ų | 135.9 | 60% | 0.603 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -83.2 | 20.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | P235 E236 | P235-A238 PolarHBondContact O-N 3.49Å; E236-A238 PolarHBondContact O-N 2.96Å |
| 239 | L | 59.4 | Low | 60.1 | Low | 132 Ų | 132 | 135.2 Ų | 135.2 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -65.8 | 128.2 | 164.3 | -72.5 | 171.4 | 0 | 0 | 0 | 107.8 | E237 V241 | E237-L239 PolarHBondContact O-N 3.39Å; L239-V241 PolarHBondContact O-N 2.99Å; L239-V241 VanDerWaalsContact O-N 3.09Å |
| 240 | P | 58.2 | Low | 58.2 | Low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | trans | -55.1 | 124.9 | 175.1 | 22.7 | -31 | 0 | 0 | 0 | 107.7 | K242 | P240-K242 PolarHBondContact O-N 3.18Š| ||
| 241 | V | 59.1 | Low | 56.1 | Low | 137 Ų | 137 | 142.6 Ų | 142.6 | 83% | 0.83 | 74% | 0.742 | S | S | * | * | trans | -47.3 | 113.1 | 173.4 | 174 | 0 | 0 | 0 | 0 | 106.7 | L239 P243 | L239-V241 PolarHBondContact O-N 2.99Å; L239-V241 VanDerWaalsContact O-N 3.09Å; V241-P243 WeakPolarHBondContact O-CD 3.46Å; V241-P243 VanDerWaalsContact O-N 3.15Å | ||
| 242 | K | 55.5 | Low | 54 | Low | 167 Ų | 167 | 141.4 Ų | 141.4 | 73% | 0.726 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 120.3 | 176.2 | -153 | -179.7 | -173.4 | -171.5 | 0 | 105.5 | P240 T244 | P240-K242 PolarHBondContact O-N 3.18Å; K242-T244 PolarHBondContact O-N 3.3Å |
| 243 | P | 51.2 | Low | 52.1 | Low | 109 Ų | 109 | 138.4 Ų | 138.4 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 120.3 | 177.4 | 20.1 | -29.2 | 0 | 0 | 0 | 107.3 | V241 D245 | V241-P243 WeakPolarHBondContact O-CD 3.46Å; V241-P243 VanDerWaalsContact O-N 3.15Å; P243-D245 PolarHBondContact O-N 3.18Å |
| 244 | T | 48.2 | Very low | 50.2 | Low | 121 Ų | 121 | 134.4 Ų | 134.4 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 124.2 | 178.3 | 22.2 | 0 | 0 | 0 | 0 | 108.7 | K242 E246 | K242-T244 PolarHBondContact O-N 3.3Å; T244-E246 PolarHBondContact O-N 3.12Å |
| 245 | D | 48.6 | Very low | 48.2 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -69.8 | 29.6 | -174 | -77 | -57.3 | 0 | 0 | 0 | 114.2 | P243 A247 | P243-D245 PolarHBondContact O-N 3.18Å; D245-A247 PolarHBondContact O-N 3.49Å |
| 246 | E | 44.4 | Very low | 46.4 | Very low | 180 Ų | 180 | 138.7 Ų | 138.7 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -2.3 | -174.7 | -72 | -170 | 167.7 | 0 | 0 | 115 | T244 | T244-E246 PolarHBondContact O-N 3.12Š|
| 247 | A | 41.9 | Very low | 44.8 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 19.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D245 | D245-A247 PolarHBondContact O-N 3.49Š|
| 248 | K | 36.8 | Very low | 43.6 | Very low | 181 Ų | 181 | 142.1 Ų | 142.1 | 79% | 0.787 | 79% | 0.785 | S | S | * | * | trans | -95.6 | 6.5 | -175.5 | -113.2 | 176.1 | -173.6 | 169.2 | 0 | 116.5 | ||||
| 249 | S | 38.7 | Very low | 42.4 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | -108.4 | 48.4 | 173 | 69 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 250 | T | 40.4 | Very low | 41.1 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -117.7 | 83.5 | 151.5 | -37.6 | 0 | 0 | 0 | 0 | 108 | L252 | T250-L252 PolarHBondContact O-N 3.09Š|
| 251 | F | 36.4 | Very low | 39.7 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -16.6 | 112.2 | 161.3 | -159.3 | -101.7 | 0 | 0 | 0 | 115.3 | S253 | F251-S253 PolarHBondContact O-N 3.4Š| ||
| 252 | L | 37.2 | Very low | 38.6 | Very low | 151 Ų | 151 | 147.1 Ų | 147.1 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 26.3 | 95.7 | 132.4 | -75.7 | 151.9 | 0 | 0 | 0 | 116.6 | T250 | T250-L252 PolarHBondContact O-N 3.09Š| ||
| 253 | S | 39.4 | Very low | 37.3 | Very low | 133 Ų | 133 | 147.1 Ų | 147.1 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | trans | -160.1 | 130.9 | 143.4 | -158.3 | 0 | 0 | 0 | 0 | 110.4 | F251 | F251-S253 PolarHBondContact O-N 3.4Š| ||
| 254 | G | 35 | Very low | 36.3 | Very low | 68 Ų | 68 | 150.9 Ų | 150.9 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | 103.4 | 63.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | N256 | G254-N256 PolarHBondContact O-N 3.24Š| ||
| 255 | Q | 31.2 | Very low | 35.7 | Very low | 192 Ų | 192 | 151.1 Ų | 151.1 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -67.8 | 108 | 153.3 | -81.3 | 176.3 | -41.4 | 0 | 0 | 109.1 | ||||
| 256 | N | 30.8 | Very low | 35 | Very low | 150 Ų | 150 | 151 Ų | 151 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -178.9 | 92.2 | 146.7 | -103.5 | -14.7 | 0 | 0 | 0 | 109 | G254 | G254-N256 PolarHBondContact O-N 3.24Š| ||
| 257 | Y | 31.9 | Very low | 34.5 | Very low | 234 Ų | 234 | 149.6 Ų | 149.6 | 92% | 0.918 | 82% | 0.818 | S | S | * | * | trans | -136.7 | 113.6 | 159.3 | -82.5 | -75.7 | 0 | 0 | 0 | 110.3 | ||||
| 258 | Q | 34.7 | Very low | 34 | Very low | 190 Ų | 190 | 148.3 Ų | 148.3 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -58.9 | 141.1 | 169.7 | -91 | 152.7 | -59.9 | 0 | 0 | 111.4 | R260 | Q258-R260 PolarHBondContact O-N 3.49Š| ||
| 259 | S | 31.5 | Very low | 33.7 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -44.5 | 118.3 | 167 | -168.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 260 | R | 31.4 | Very low | 33.4 | Very low | 217 Ų | 217 | 148.4 Ų | 148.4 | 82% | 0.819 | 82% | 0.819 | S | S | * | * | trans | -126.9 | 96.3 | 164.5 | -167.4 | 171.7 | -175.5 | 161.7 | 1.9 | 109 | Q258 D262 | Q258-R260 PolarHBondContact O-N 3.49Å; R260-D262 IonicContact CZ-OD2 3.93Å; R260-D262 IonicContact NE-OD2 3.14Å; R260-D262 PolarHBondContact NE-OD2 2.98Å; R260-D262 VanDerWaalsContact NE-OD2 3.14Å; R260-D262 IonicContact NH2-OD2 3.79Å | ||
| 261 | S | 29.9 | Very low | 33 | Very low | 102 Ų | 102 | 150 Ų | 150 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | trans | -71.1 | 110 | 161.1 | 49 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 262 | D | 34.6 | Very low | 32.6 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 66% | 0.658 | 82% | 0.821 | S | S | * | * | trans | -148.3 | 97.8 | 157.6 | -77 | -43.7 | 0 | 0 | 0 | 107 | R260 | R260-D262 IonicContact CZ-OD2 3.93Å; R260-D262 IonicContact NE-OD2 3.14Å; R260-D262 PolarHBondContact NE-OD2 2.98Å; R260-D262 VanDerWaalsContact NE-OD2 3.14Å; R260-D262 IonicContact NH2-OD2 3.79Å | ||
| 263 | L | 29.1 | Very low | 32.3 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 88% | 0.88 | 83% | 0.828 | S | S | * | * | trans | -90.6 | 96.5 | 179.6 | -178.1 | 82.4 | 0 | 0 | 0 | 107.7 | ||||
| 264 | E | 30.1 | Very low | 32 | Very low | 187 Ų | 187 | 153.7 Ų | 153.7 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -133.3 | 96.5 | 167.6 | -88.7 | 179.1 | 143.8 | 0 | 0 | 109.1 | ||||
| 265 | V | 36.3 | Very low | 31.6 | Very low | 127 Ų | 127 | 159.5 Ų | 159.5 | 77% | 0.77 | 83% | 0.826 | S | S | * | * | trans | -101.8 | 123.5 | 165.4 | 178.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 266 | P | 33.3 | Very low | 31.6 | Very low | 117 Ų | 117 | 159.5 Ų | 159.5 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -74 | 137.4 | -172.4 | 28.6 | -32.7 | 0 | 0 | 0 | 111.6 | G268 | P266-G268 PolarHBondContact O-N 2.91Š| ||
| 267 | V | 34.6 | Very low | 31.4 | Very low | 151 Ų | 151 | 163.7 Ų | 163.7 | 92% | 0.915 | 83% | 0.832 | S | S | * | * | trans | -71.5 | 88.5 | 173.3 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | S269 | V267-S269 PolarHBondContact O-N 3.01Š| ||
| 268 | G | 31.5 | Very low | 31.1 | Very low | 70 Ų | 70 | 157.8 Ų | 157.8 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | trans | -82.2 | 107.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P266 M270 | P266-G268 PolarHBondContact O-N 2.91Å; G268-M270 PolarHBondContact O-N 3.26Å | ||
| 269 | S | 30.4 | Very low | 30.6 | Very low | 109 Ų | 109 | 156.9 Ų | 156.9 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -49.1 | 120 | 169.3 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | V267 | V267-S269 PolarHBondContact O-N 3.01Š| ||
| 270 | M | 32.1 | Very low | 30.5 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | trans | -119.6 | 104.9 | 161.6 | -157 | 163.3 | -179 | 0 | 0 | 108.3 | G268 | G268-M270 PolarHBondContact O-N 3.26Š| ||
| 271 | E | 32.3 | Very low | 30.2 | Very low | 170 Ų | 170 | 154 Ų | 154 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | -63.5 | 130.5 | -172.2 | -75.2 | 167.9 | 121.7 | 0 | 0 | 113 | F273 | E271-F273 PolarHBondContact O-N 2.85Š| ||
| 272 | R | 27.6 | Very low | 30.3 | Very low | 232 Ų | 232 | 155 Ų | 155 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | trans | 6.6 | 90.6 | 139.6 | -152 | 176.8 | -77.3 | 153.7 | -6 | 115.4 | S274 | R272-S274 PolarHBondContact O-N 3.31Š| ||
| 273 | F | 31.5 | Very low | 30 | Very low | 211 Ų | 211 | 155 Ų | 155 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | -63.3 | 95.1 | 162.1 | -113.3 | -99.7 | 0 | 0 | 0 | 108.9 | E271 | E271-F273 PolarHBondContact O-N 2.85Š| ||
| 274 | S | 31.9 | Very low | 29.9 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 69% | 0.692 | 82% | 0.816 | S | S | * | * | trans | -84.1 | 144 | 169.4 | -80.8 | 0 | 0 | 0 | 0 | 110.8 | R272 | R272-S274 PolarHBondContact O-N 3.31Š| ||
| 275 | E | 28.2 | Very low | 29.8 | Very low | 191 Ų | 191 | 147.9 Ų | 147.9 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -62.7 | 128.2 | -177.7 | -61.2 | 163.5 | 133 | 0 | 0 | 113.2 | ||||
| 276 | E | 29.8 | Very low | 29.6 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -139.5 | 96.8 | 151.8 | -99.6 | -177.5 | 170.3 | 0 | 0 | 108.1 | ||||
| 277 | Y | 26.7 | Very low | 29.3 | Very low | 239 Ų | 239 | 152.1 Ų | 152.1 | 94% | 0.937 | 82% | 0.823 | S | S | * | * | trans | -103.6 | 96.5 | 173.6 | -134.1 | -91.4 | 0 | 0 | 0 | 107.7 | ||||
| 278 | S | 26.7 | Very low | 29.3 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -89.3 | 129.2 | 177.3 | 47 | 0 | 0 | 0 | 0 | 111 | ||||
| 279 | F | 23.1 | Very low | 29.3 | Very low | 171 Ų | 171 | 158.2 Ų | 158.2 | 75% | 0.75 | 82% | 0.821 | S | S | * | * | trans | -80.1 | 122.7 | -178 | -171 | -98.5 | 0 | 0 | 0 | 109.6 | E281 | F279-E281 HydrophobicContact CD1-CG 4.35Å; F279-E281 HydrophobicContact CE1-CB 4.35Å; F279-E281 VanDerWaalsContact CE1-CD 3.49Å; F279-E281 HydrophobicContact CE1-CG 3.48Å; F279-E281 VanDerWaalsContact CE1-CG 3.48Å; F279-E281 HydrophobicContact CZ-CG 3.85Å | ||
| 280 | S | 29.9 | Very low | 29.3 | Very low | 114 Ų | 114 | 160.5 Ų | 160.5 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | -128.2 | 101.6 | 168.2 | 37.1 | 0 | 0 | 0 | 0 | 110 | S282 | S280-S282 PolarHBondContact O-N 3.49Š| ||
| 281 | E | 25.8 | Very low | 29.3 | Very low | 165 Ų | 165 | 158.8 Ų | 158.8 | 77% | 0.771 | 82% | 0.819 | S | S | * | * | trans | -68 | 110 | 164.3 | -91.7 | 172 | 160.2 | 0 | 0 | 109.1 | F279 | F279-E281 HydrophobicContact CD1-CG 4.35Å; F279-E281 HydrophobicContact CE1-CB 4.35Å; F279-E281 VanDerWaalsContact CE1-CD 3.49Å; F279-E281 HydrophobicContact CE1-CG 3.48Å; F279-E281 VanDerWaalsContact CE1-CG 3.48Å; F279-E281 HydrophobicContact CZ-CG 3.85Å | ||
| 282 | S | 31.4 | Very low | 29.3 | Very low | 121 Ų | 121 | 161.8 Ų | 161.8 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -114 | 100 | 160.6 | 174.2 | 0 | 0 | 0 | 0 | 108 | S280 | S280-S282 PolarHBondContact O-N 3.49Š| ||
| 283 | S | 27 | Very low | 29.6 | Very low | 123 Ų | 123 | 160.4 Ų | 160.4 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -75.9 | 135.3 | 169.6 | -172.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 284 | G | 27.6 | Very low | 29.6 | Very low | 58 Ų | 58 | 157.5 Ų | 157.5 | 60% | 0.598 | 82% | 0.818 | S | S | * | * | trans | 151.7 | 92.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 285 | N | 28.8 | Very low | 29.5 | Very low | 149 Ų | 149 | 161.1 Ų | 161.1 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | 48.2 | 94.6 | 136.6 | -60.3 | -14.9 | 0 | 0 | 0 | 119.2 | ||||
| 286 | N | 32.6 | Very low | 29.7 | Very low | 161 Ų | 161 | 159.2 Ų | 159.2 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -132.4 | 86.2 | 145.5 | -82.8 | -43.3 | 0 | 0 | 0 | 109.4 | ||||
| 287 | L | 26 | Very low | 29.8 | Very low | 171 Ų | 171 | 159.8 Ų | 159.8 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | -92.4 | 88.8 | 175.4 | -136.4 | 154.2 | 0 | 0 | 0 | 106.4 | ||||
| 288 | V | 35.1 | Very low | 30.2 | Very low | 125 Ų | 125 | 156.8 Ų | 156.8 | 76% | 0.758 | 81% | 0.807 | S | S | * | * | trans | -125.5 | 97.3 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 289 | R | 30.3 | Very low | 30.5 | Very low | 225 Ų | 225 | 158.4 Ų | 158.4 | 85% | 0.849 | 81% | 0.807 | S | S | * | * | trans | 54.6 | 94.8 | 135.6 | -129.8 | 171.2 | -175.5 | 170.9 | 0.4 | 118.1 | N291 | R289-N291 PolarHBondContact O-N 3.14Š| ||
| 290 | D | 30.7 | Very low | 31.2 | Very low | 157 Ų | 157 | 155.4 Ų | 155.4 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -62.3 | 114.2 | 161.9 | -156.3 | -1.3 | 0 | 0 | 0 | 110.4 | ||||
| 291 | N | 33 | Very low | 31.4 | Very low | 151 Ų | 151 | 157 Ų | 157 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | trans | -106.2 | 91.3 | 175.3 | -120.9 | -0.9 | 0 | 0 | 0 | 109.1 | R289 K293 | R289-N291 PolarHBondContact O-N 3.14Å; N291-K293 PolarHBondContact O-N 3.29Å; N291-K293 VanDerWaalsContact O-N 3.11Å | ||
| 292 | R | 31.1 | Very low | 31.9 | Very low | 233 Ų | 233 | 160.7 Ų | 160.7 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -68.1 | 96 | 179.6 | -156.1 | 176.7 | -166.9 | 174.9 | 2.3 | 109.5 | N294 | R292-N294 PolarHBondContact O-N 3.39Š| ||
| 293 | K | 34.1 | Very low | 32 | Very low | 203 Ų | 203 | 162.9 Ų | 162.9 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 120.7 | 169.4 | -84.9 | -174.8 | 175.8 | -179.3 | 0 | 109.9 | N291 | N291-K293 PolarHBondContact O-N 3.29Å; N291-K293 VanDerWaalsContact O-N 3.11Å |
| 294 | N | 31.7 | Very low | 32.6 | Very low | 151 Ų | 151 | 163.8 Ų | 163.8 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 135.3 | 179.2 | -95.5 | -18.7 | 0 | 0 | 0 | 112.6 | R292 | R292-N294 PolarHBondContact O-N 3.39Š|
| 295 | K | 30.6 | Very low | 33 | Very low | 175 Ų | 175 | 166.5 Ų | 166.5 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 119.2 | 163.3 | -79.8 | 171.8 | 169.4 | 174.6 | 0 | 108.6 | ||
| 296 | N | 31.7 | Very low | 33.5 | Very low | 150 Ų | 150 | 168.9 Ų | 168.9 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -103.1 | 109.7 | 158 | -81.8 | -3.4 | 0 | 0 | 0 | 107.9 | ||||
| 297 | Y | 31.4 | Very low | 33.7 | Very low | 204 Ų | 204 | 172.9 Ų | 172.9 | 80% | 0.8 | 84% | 0.84 | S | S | * | * | trans | -77.7 | 118.8 | 162.3 | -94.9 | -100.4 | 0 | 0 | 0 | 106.9 | ||||
| 298 | H | 34.9 | Very low | 34.1 | Very low | 176 Ų | 176 | 173 Ų | 173 | 82% | 0.815 | 84% | 0.838 | S | S | * | * | trans | -115.5 | 104.6 | 160 | -118 | -66.6 | 0 | 0 | 0 | 107.7 | ||||
| 299 | D | 34.5 | Very low | 34.1 | Very low | 143 Ų | 143 | 175.5 Ų | 175.5 | 77% | 0.765 | 84% | 0.842 | S | S | * | * | trans | -57.8 | 127.2 | 163.7 | -112.8 | -27.7 | 0 | 0 | 0 | 108.8 | ||||
| 300 | S | 36 | Very low | 34.3 | Very low | 108 Ų | 108 | 172.7 Ų | 172.7 | 76% | 0.755 | 84% | 0.841 | S | S | * | * | trans | -131.6 | 88 | 164.9 | 29.8 | 0 | 0 | 0 | 0 | 107.7 | R302 | S300-R302 PolarHBondContact O-N 3.49Š| ||
| 301 | N | 34 | Very low | 34.5 | Very low | 147 Ų | 147 | 173.6 Ų | 173.6 | 79% | 0.786 | 84% | 0.842 | S | S | * | * | trans | -57 | 116.8 | 160 | -86.3 | -22.9 | 0 | 0 | 0 | 108.2 | ||||
| 302 | R | 36.7 | Very low | 34.6 | Very low | 244 Ų | 244 | 175.1 Ų | 175.1 | 92% | 0.921 | 84% | 0.844 | S | S | * | * | trans | -125.5 | 82.3 | 165.7 | -159.8 | 173.3 | -169.3 | 166.6 | 1.7 | 107.7 | S300 | S300-R302 PolarHBondContact O-N 3.49Š| ||
| 303 | Q | 33.8 | Very low | 34.8 | Very low | 167 Ų | 167 | 171.2 Ų | 171.2 | 78% | 0.78 | 84% | 0.841 | S | S | * | * | trans | -84.7 | 123.4 | 153.5 | -89.1 | 163.3 | -69.9 | 0 | 0 | 106.1 | ||||
| 304 | D | 39 | Very low | 34.9 | Very low | 142 Ų | 142 | 168.9 Ų | 168.9 | 76% | 0.759 | 84% | 0.838 | S | S | * | * | trans | 179.4 | 100.7 | 149.9 | -82.6 | -29.4 | 0 | 0 | 0 | 105.2 | ||||
| 305 | S | 36.2 | Very low | 35.1 | Very low | 115 Ų | 115 | 170.3 Ų | 170.3 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | 70 | 80.1 | 97.3 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 306 | E | 40.1 | Very low | 35.5 | Very low | 198 Ų | 198 | 169.9 Ų | 169.9 | 93% | 0.925 | 85% | 0.847 | S | S | * | * | trans | -109.5 | 131.7 | 155.1 | -81.6 | -176.8 | 166.6 | 0 | 0 | 108.2 | ||||
| 307 | I | 37.6 | Very low | 35.8 | Very low | 245 Ų | 245 | 171.7 Ų | 171.7 | 100% | 1.256 | 85% | 0.852 | S | S | * | * | trans | -58 | 0 | -177.2 | -70.5 | 160.7 | 0 | 0 | 0 | 112.2 |
Retrieved 307 of 307 residues in 188 ms
(Link to these results)