| 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 | 51.3 | Low | 71.7 | Confident | 191 Ų | 191 | 97.1 Ų | 97.1 | 94% | 0.941 | 50% | 0.503 | S | S | * | . | 0 | 102.5 | 0 | -71.2 | 164.9 | 98.4 | 0 | 0 | 105.7 | |||||
| 2 | S | 48.9 | Very low | 73.4 | Confident | 58 Ų | 58 | 99.4 Ų | 99.4 | 41% | 0.406 | 51% | 0.507 | S | S | . | . | trans | -62.9 | 147.8 | 177.4 | 46.9 | 0 | 0 | 0 | 0 | 108.8 | E4 E5 | S2-E4 PolarHBondContact O-N 3.46Å; S2-E5 PolarHBondContact O-N 3.05Å | ||
| 3 | S | 57.4 | Low | 74.8 | Confident | 110 Ų | 110 | 95.5 Ų | 95.5 | 77% | 0.769 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -13.5 | 172.8 | 35.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 4 | E | 61.8 | Low | 76.1 | Confident | 168 Ų | 168 | 88.6 Ų | 88.6 | 79% | 0.785 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -26.9 | 174.5 | -67.4 | -176 | 151.6 | 0 | 0 | 114.3 | S2 | S2-E4 PolarHBondContact O-N 3.46Š|
| 5 | E | 66.9 | Low | 77.3 | Confident | 106 Ų | 106 | 87.5 Ų | 87.5 | 50% | 0.495 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -15.6 | -176.9 | -75.3 | -178.1 | 149.7 | 0 | 0 | 113.8 | S2 S84 L85 | S2-E5 PolarHBondContact O-N 3.05Å; E5-S84 PolarHBondContact O-OG 2.96Å; E5-L85 PolarHBondContact O-N 3.45Å |
| 6 | S | 73.7 | Confident | 78.4 | Confident | 44 Ų | 44 | 87.4 Ų | 87.4 | 31% | 0.308 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -136.9 | 64.8 | -179 | 63.4 | 0 | 0 | 0 | 0 | 111.6 | ||
| 7 | P | 82.7 | Confident | 79.4 | Confident | 25 Ų | 25 | 82.2 Ų | 82.2 | 16% | 0.162 | 42% | 0.42 | C | S | . | . | trans | -63.2 | 155.2 | 172.6 | 26.8 | -34.1 | 0 | 0 | 0 | 111.2 | Y9 S10 L85 | P7-Y9 HydrophobicContact CB-CD1 3.74Å; P7-Y9 HydrophobicContact CB-CE1 3.38Å; P7-Y9 HydrophobicContact CB-CE2 4.39Å; P7-Y9 HydrophobicContact CB-CG 4.38Å; P7-Y9 HydrophobicContact CG-CD1 4.22Å; P7-Y9 HydrophobicContact CG-CD2 4.33Å; P7-Y9 HydrophobicContact CG-CE1 3.71Å; P7-Y9 HydrophobicContact CG-CE2 3.82Å; P7-Y9 VanDerWaalsContact CG-CZ 3.48Å; P7-Y9 PolarHBondContact O-N 3.22Å; P7-Y9 VanDerWaalsContact O-N 3.1Å; P7-S10 WeakPolarHBondContact CD-OG 3.5Å; P7-S10 WeakPolarHBondContact CG-OG 3.49Å; P7-S10 VanDerWaalsContact O-CB 3.27Å; P7-S10 WeakPolarHBondContact O-CB 3.4Å; P7-S10 PolarHBondContact O-N 3.39Å; P7-S10 PolarHBondContact O-OG 3.38Å; P7-L85 HydrophobicContact CG-CD1 4.38Å; P7-L85 HydrophobicContact CG-CD2 4.42Å | ||
| 8 | E | 82.7 | Confident | 80.3 | Confident | 197 Ų | 197 | 78.6 Ų | 78.6 | 92% | 0.921 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.1 | -177.3 | -66.2 | -173.9 | 170.1 | 0 | 0 | 113.5 | S10 P11 | E8-S10 VanDerWaalsContact C-N 3.27Å; E8-S10 PolarHBondContact O-N 2.8Å; E8-P11 VanDerWaalsContact O-CD 3.29Å; E8-P11 WeakPolarHBondContact O-CD 3.13Å |
| 9 | Y | 87.1 | Confident | 81.2 | Confident | 137 Ų | 137 | 77.4 Ų | 77.4 | 54% | 0.537 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -0.3 | 176.5 | 65.2 | -99.5 | 0 | 0 | 0 | 113.8 | P7 F12 F13 L85 | P7-Y9 HydrophobicContact CB-CD1 3.74Å; P7-Y9 HydrophobicContact CB-CE1 3.38Å; P7-Y9 HydrophobicContact CB-CE2 4.39Å; P7-Y9 HydrophobicContact CB-CG 4.38Å; P7-Y9 HydrophobicContact CG-CD1 4.22Å; P7-Y9 HydrophobicContact CG-CD2 4.33Å; P7-Y9 HydrophobicContact CG-CE1 3.71Å; P7-Y9 HydrophobicContact CG-CE2 3.82Å; P7-Y9 VanDerWaalsContact CG-CZ 3.48Å; P7-Y9 PolarHBondContact O-N 3.22Å; P7-Y9 VanDerWaalsContact O-N 3.1Å; Y9-F12 VanDerWaalsContact O-CB 3.25Å; Y9-F12 WeakPolarHBondContact O-CB 3.25Å; Y9-F12 PolarHBondContact O-N 3.27Å; Y9-F13 HydrophobicContact CD2-CD2 4.48Å; Y9-F13 AromaticContact CD2-CE2 3.69Å; Y9-F13 HydrophobicContact CD2-CE2 3.69Å; Y9-F13 HydrophobicContact CD2-CZ 4.49Å; Y9-F13 AromaticContact CE2-CE2 3.87Å; Y9-F13 HydrophobicContact CE2-CE2 3.87Å; Y9-L85 HydrophobicContact CD2-CD1 4.49Å; Y9-L85 HydrophobicContact CE2-CD1 3.92Å |
| 10 | S | 86.8 | Confident | 82 | Confident | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.007 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.2 | -46.4 | -179.3 | -56.7 | 0 | 0 | 0 | 0 | 113 | P7 E8 F12 F13 V83 S88 | P7-S10 WeakPolarHBondContact CD-OG 3.5Å; P7-S10 WeakPolarHBondContact CG-OG 3.49Å; P7-S10 VanDerWaalsContact O-CB 3.27Å; P7-S10 WeakPolarHBondContact O-CB 3.4Å; P7-S10 PolarHBondContact O-N 3.39Å; P7-S10 PolarHBondContact O-OG 3.38Å; E8-S10 VanDerWaalsContact C-N 3.27Å; E8-S10 PolarHBondContact O-N 2.8Å; S10-F12 PolarHBondContact O-N 3.46Å; S10-F12 VanDerWaalsContact O-N 3.15Å; S10-F13 PolarHBondContact O-N 3.18Å; S10-V83 WeakPolarHBondContact CB-O 3.31Å; S10-S88 VanDerWaalsContact C-OG 3.26Å; S10-S88 WeakPolarHBondContact O-CB 3.39Å; S10-S88 PolarHBondContact O-OG 3.29Å |
| 11 | P | 89.7 | Confident | 82.7 | Confident | 31 Ų | 31 | 70.5 Ų | 70.5 | 20% | 0.201 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.9 | -23.4 | -178.2 | -23.3 | 35.9 | 0 | 0 | 0 | 114 | E8 F13 A14 V15 | E8-P11 VanDerWaalsContact O-CD 3.29Å; E8-P11 WeakPolarHBondContact O-CD 3.13Å; P11-F13 VanDerWaalsContact C-N 3.32Å; P11-F13 PolarHBondContact O-N 3.2Å; P11-A14 PolarHBondContact O-N 3.1Å; P11-A14 VanDerWaalsContact O-N 3.15Å; P11-V15 WeakPolarHBondContact O-CG2 3.25Å; P11-V15 PolarHBondContact O-N 3.36Å |
| 12 | F | 91.7 | Very high | 84.9 | Confident | 125 Ų | 125 | 64.4 Ų | 64.4 | 55% | 0.548 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.3 | -45.6 | 178.8 | 174.8 | -101 | 0 | 0 | 0 | 112 | Y9 S10 A14 V15 M16 | Y9-F12 VanDerWaalsContact O-CB 3.25Å; Y9-F12 WeakPolarHBondContact O-CB 3.25Å; Y9-F12 PolarHBondContact O-N 3.27Å; S10-F12 PolarHBondContact O-N 3.46Å; S10-F12 VanDerWaalsContact O-N 3.15Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 3.47Å; F12-V15 PolarHBondContact O-N 3Å; F12-M16 HydrophobicContact CD1-CG 4.27Å; F12-M16 HydrophobicContact CD2-CG 4.39Å; F12-M16 HydrophobicContact CE1-CG 3.86Å; F12-M16 HydrophobicContact CE2-CG 3.98Å; F12-M16 HydrophobicContact CE2-SD 4.32Å; F12-M16 HydrophobicContact CZ-CG 3.7Å; F12-M16 HydrophobicContact CZ-SD 4.14Å; F12-M16 WeakPolarHBondContact O-CB 3.34Å; F12-M16 VanDerWaalsContact O-CG 3.3Å; F12-M16 WeakPolarHBondContact O-CG 3.34Å; F12-M16 PolarHBondContact O-N 3.44Å |
| 13 | F | 92.4 | Very high | 87.2 | Confident | 48 Ų | 48 | 65.4 Ų | 65.4 | 21% | 0.211 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.6 | -33.5 | -179.4 | -61 | -71.1 | 0 | 0 | 0 | 112.7 | Y9 S10 P11 G17 L85 F89 L92 | Y9-F13 HydrophobicContact CD2-CD2 4.48Å; Y9-F13 AromaticContact CD2-CE2 3.69Å; Y9-F13 HydrophobicContact CD2-CE2 3.69Å; Y9-F13 HydrophobicContact CD2-CZ 4.49Å; Y9-F13 AromaticContact CE2-CE2 3.87Å; Y9-F13 HydrophobicContact CE2-CE2 3.87Å; S10-F13 PolarHBondContact O-N 3.18Å; P11-F13 VanDerWaalsContact C-N 3.32Å; P11-F13 PolarHBondContact O-N 3.2Å; F13-G17 PolarHBondContact O-N 3.32Å; F13-L85 HydrophobicContact CD2-CD1 4.02Å; F13-L85 HydrophobicContact CE2-CD1 3.97Å; F13-F89 HydrophobicContact CB-CD1 4.29Å; F13-F89 HydrophobicContact CB-CE1 4.45Å; F13-F89 HydrophobicContact CD1-CD1 4.27Å; F13-F89 AromaticContact CD1-CE1 3.76Å; F13-F89 HydrophobicContact CD1-CE1 3.76Å; F13-F89 HydrophobicContact CD2-CD1 4.28Å; F13-F89 AromaticContact CD2-CE1 3.71Å; F13-F89 HydrophobicContact CD2-CE1 3.71Å; F13-F89 HydrophobicContact CD2-CZ 4.16Å; F13-F89 AromaticContact CE1-CE1 3.78Å; F13-F89 HydrophobicContact CE1-CE1 3.78Å; F13-F89 AromaticContact CE2-CE1 3.72Å; F13-F89 HydrophobicContact CE2-CE1 3.72Å; F13-F89 AromaticContact CE2-CZ 3.86Å; F13-F89 HydrophobicContact CE2-CZ 3.86Å; F13-F89 HydrophobicContact CG-CD1 4.04Å; F13-F89 AromaticContact CG-CE1 3.71Å; F13-F89 HydrophobicContact CG-CE1 3.71Å; F13-F89 AromaticContact CZ-CE1 3.75Å; F13-F89 HydrophobicContact CZ-CE1 3.75Å; F13-F89 HydrophobicContact CZ-CZ 4.05Å; F13-L92 HydrophobicContact CB-CB 4.42Å; F13-L92 HydrophobicContact CB-CD2 4.38Å; F13-L92 HydrophobicContact CD1-CD2 3.98Å |
| 14 | A | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.5 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P11 F12 G17 A18 I75 I79 H91 | P11-A14 PolarHBondContact O-N 3.1Å; P11-A14 VanDerWaalsContact O-N 3.15Å; F12-A14 VanDerWaalsContact C-N 3.34Å; F12-A14 PolarHBondContact O-N 3.47Å; A14-G17 PolarHBondContact O-N 3.25Å; A14-G17 VanDerWaalsContact O-N 3.17Å; A14-A18 PolarHBondContact O-N 3.46Å; A14-I75 WeakPolarHBondContact O-CG2 3.27Å; A14-I79 HydrophobicContact CB-CD1 4.1Å; A14-I79 HydrophobicContact CB-CG1 3.85Å; A14-H91 HydrophobicContact CB-CB 4.02Å |
| 15 | V | 93.8 | Very high | 90.8 | Very high | 71 Ų | 71 | 55.2 Ų | 55.2 | 43% | 0.43 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 175.4 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | P11 F12 G17 A18 S19 I79 | P11-V15 WeakPolarHBondContact O-CG2 3.25Å; P11-V15 PolarHBondContact O-N 3.36Å; F12-V15 PolarHBondContact O-N 3Å; V15-G17 VanDerWaalsContact C-N 3.26Å; V15-G17 PolarHBondContact O-N 3Å; V15-A18 PolarHBondContact O-N 2.76Å; V15-S19 PolarHBondContact O-N 3.02Å; V15-S19 PolarHBondContact O-OG 3.48Å; V15-I79 HydrophobicContact CG2-CD1 3.86Å |
| 16 | M | 95.6 | Very high | 92.3 | Very high | 86 Ų | 86 | 52 Ų | 52 | 42% | 0.424 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.2 | -36.3 | 174.6 | -75.3 | -61.2 | -61.7 | 0 | 0 | 112.3 | F12 S19 A20 L92 | F12-M16 HydrophobicContact CD1-CG 4.27Å; F12-M16 HydrophobicContact CD2-CG 4.39Å; F12-M16 HydrophobicContact CE1-CG 3.86Å; F12-M16 HydrophobicContact CE2-CG 3.98Å; F12-M16 HydrophobicContact CE2-SD 4.32Å; F12-M16 HydrophobicContact CZ-CG 3.7Å; F12-M16 HydrophobicContact CZ-SD 4.14Å; F12-M16 WeakPolarHBondContact O-CB 3.34Å; F12-M16 VanDerWaalsContact O-CG 3.3Å; F12-M16 WeakPolarHBondContact O-CG 3.34Å; F12-M16 PolarHBondContact O-N 3.44Å; M16-S19 PolarHBondContact O-N 3.28Å; M16-A20 VanDerWaalsContact O-CB 3.23Å; M16-A20 WeakPolarHBondContact O-CB 3.47Å; M16-A20 PolarHBondContact O-N 2.89Å; M16-L92 HydrophobicContact CB-CD1 3.98Å |
| 17 | G | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -50.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F13 A14 V15 S19 A20 A21 G95 | F13-G17 PolarHBondContact O-N 3.32Å; A14-G17 PolarHBondContact O-N 3.25Å; A14-G17 VanDerWaalsContact O-N 3.17Å; V15-G17 VanDerWaalsContact C-N 3.26Å; V15-G17 PolarHBondContact O-N 3Å; G17-S19 VanDerWaalsContact C-N 3.35Å; G17-S19 PolarHBondContact O-N 3.23Å; G17-A20 PolarHBondContact O-N 2.94Å; G17-A21 WeakPolarHBondContact O-CB 3.32Å; G17-A21 PolarHBondContact O-N 3.04Å; G17-G95 WeakPolarHBondContact O-CA 3.26Å |
| 18 | A | 95.9 | Very high | 94.1 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 13% | 0.132 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A14 V15 A21 M22 A72 I75 | A14-A18 PolarHBondContact O-N 3.46Å; V15-A18 PolarHBondContact O-N 2.76Å; A18-A21 PolarHBondContact O-N 3.2Å; A18-M22 PolarHBondContact O-N 3.44Å; A18-A72 HydrophobicContact CB-CB 4.46Å; A18-I75 HydrophobicContact CB-CB 4.14Å; A18-I75 HydrophobicContact CB-CG2 3.92Å |
| 19 | S | 96.9 | Very high | 94.9 | Very high | 56 Ų | 56 | 44.1 Ų | 44.1 | 39% | 0.392 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.7 | -46 | 175.2 | -59.9 | 0 | 0 | 0 | 0 | 112 | V15 M16 G17 A21 M22 V23 | V15-S19 PolarHBondContact O-N 3.02Å; V15-S19 PolarHBondContact O-OG 3.48Å; M16-S19 PolarHBondContact O-N 3.28Å; G17-S19 VanDerWaalsContact C-N 3.35Å; G17-S19 PolarHBondContact O-N 3.23Å; S19-A21 VanDerWaalsContact C-N 3.34Å; S19-A21 PolarHBondContact O-N 2.81Å; S19-M22 PolarHBondContact O-N 2.93Å; S19-V23 WeakPolarHBondContact O-CB 3.19Å; S19-V23 VanDerWaalsContact O-CG2 3.29Å; S19-V23 WeakPolarHBondContact O-CG2 3.48Å; S19-V23 PolarHBondContact O-N 3.23Å |
| 20 | A | 96.8 | Very high | 95.4 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | M16 G17 M22 F24 L96 | M16-A20 VanDerWaalsContact O-CB 3.23Å; M16-A20 WeakPolarHBondContact O-CB 3.47Å; M16-A20 PolarHBondContact O-N 2.89Å; G17-A20 PolarHBondContact O-N 2.94Å; A20-M22 VanDerWaalsContact C-N 3.32Å; A20-M22 PolarHBondContact O-N 3.15Å; A20-F24 HydrophobicContact CB-CD2 4.11Å; A20-F24 HydrophobicContact CB-CE2 4.1Å; A20-F24 VanDerWaalsContact O-CD2 3.26Å; A20-F24 WeakPolarHBondContact O-CD2 3.41Å; A20-F24 PolarHBondContact O-N 3.48Å; A20-L96 HydrophobicContact CB-CD2 3.89Å; A20-L96 HydrophobicContact CB-CG 4.36Å |
| 21 | A | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.9 | -48.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | G17 A18 S19 S25 V71 A72 G95 V98 | G17-A21 WeakPolarHBondContact O-CB 3.32Å; G17-A21 PolarHBondContact O-N 3.04Å; A18-A21 PolarHBondContact O-N 3.2Å; S19-A21 VanDerWaalsContact C-N 3.34Å; S19-A21 PolarHBondContact O-N 2.81Å; A21-S25 VanDerWaalsContact O-CB 3.26Å; A21-S25 WeakPolarHBondContact O-CB 3.28Å; A21-S25 PolarHBondContact O-N 3.03Å; A21-S25 PolarHBondContact O-OG 2.93Å; A21-V71 HydrophobicContact CB-CB 4.46Å; A21-V71 HydrophobicContact CB-CG1 4.24Å; A21-A72 HydrophobicContact CB-CB 4.36Å; A21-G95 WeakPolarHBondContact CA-O 3.49Å; A21-V98 HydrophobicContact CB-CG1 3.79Å |
| 22 | M | 97.2 | Very high | 96.3 | Very high | 63 Ų | 63 | 42.1 Ų | 42.1 | 31% | 0.31 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -75.2 | -46.4 | -177.4 | -168.4 | 66.4 | -110.7 | 0 | 0 | 112.8 | A18 S19 A20 S25 A26 A65 L69 A72 | A18-M22 PolarHBondContact O-N 3.44Å; S19-M22 PolarHBondContact O-N 2.93Å; A20-M22 VanDerWaalsContact C-N 3.32Å; A20-M22 PolarHBondContact O-N 3.15Å; M22-S25 PolarHBondContact O-OG 3.32Å; M22-A26 HydrophobicContact CE-CB 3.87Å; M22-A26 WeakPolarHBondContact O-CB 3.34Å; M22-A26 PolarHBondContact O-N 3.16Å; M22-A65 HydrophobicContact CE-CB 4.48Å; M22-L69 HydrophobicContact SD-CB 4.07Å; M22-L69 HydrophobicContact SD-CD1 4.23Å; M22-A72 HydrophobicContact CB-CB 4.43Å |
| 23 | V | 98.1 | Very high | 96.6 | Very high | 79 Ų | 79 | 38.8 Ų | 38.8 | 48% | 0.479 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.1 | -49.5 | -174.1 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | S19 A26 L27 | S19-V23 WeakPolarHBondContact O-CB 3.19Å; S19-V23 VanDerWaalsContact O-CG2 3.29Å; S19-V23 WeakPolarHBondContact O-CG2 3.48Å; S19-V23 PolarHBondContact O-N 3.23Å; V23-A26 PolarHBondContact O-N 3.46Å; V23-L27 HydrophobicContact CG1-CD1 4.02Å; V23-L27 WeakPolarHBondContact O-CB 3.35Å; V23-L27 VanDerWaalsContact O-CG 3.27Å; V23-L27 WeakPolarHBondContact O-CG 3.46Å; V23-L27 PolarHBondContact O-N 2.77Å |
| 24 | F | 97.7 | Very high | 96.8 | Very high | 63 Ų | 63 | 39.3 Ų | 39.3 | 28% | 0.276 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72.5 | -36.7 | -176 | -67.8 | -58.3 | 0 | 0 | 0 | 112.8 | A20 L27 G28 L96 G99 L100 L103 | A20-F24 HydrophobicContact CB-CD2 4.11Å; A20-F24 HydrophobicContact CB-CE2 4.1Å; A20-F24 VanDerWaalsContact O-CD2 3.26Å; A20-F24 WeakPolarHBondContact O-CD2 3.41Å; A20-F24 PolarHBondContact O-N 3.48Å; F24-L27 HydrophobicContact CD1-CD1 4.36Å; F24-L27 PolarHBondContact O-N 3.11Å; F24-G28 PolarHBondContact O-N 2.92Å; F24-L96 HydrophobicContact CE2-CD2 4.09Å; F24-G99 CarbonylContact C-O 3.37Å; F24-G99 VanDerWaalsContact CB-O 3.23Å; F24-G99 WeakPolarHBondContact CB-O 3.22Å; F24-L100 HydrophobicContact CD1-CD2 4.13Å; F24-L100 HydrophobicContact CD2-CD2 4.03Å; F24-L100 HydrophobicContact CD2-CG 4.48Å; F24-L100 HydrophobicContact CE1-CD2 4.24Å; F24-L100 HydrophobicContact CE2-CD2 4.16Å; F24-L100 HydrophobicContact CG-CD2 4.03Å; F24-L100 HydrophobicContact CZ-CD2 4.26Å; F24-L103 HydrophobicContact CB-CB 4.49Å; F24-L103 HydrophobicContact CD1-CD2 4.25Å |
| 25 | S | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 173.9 | 59.9 | 0 | 0 | 0 | 0 | 112 | A21 M22 G28 A29 G68 | A21-S25 VanDerWaalsContact O-CB 3.26Å; A21-S25 WeakPolarHBondContact O-CB 3.28Å; A21-S25 PolarHBondContact O-N 3.03Å; A21-S25 PolarHBondContact O-OG 2.93Å; M22-S25 PolarHBondContact O-OG 3.32Å; S25-G28 PolarHBondContact O-N 3.48Å; S25-A29 WeakPolarHBondContact O-CB 3.24Å; S25-A29 PolarHBondContact O-N 3.41Å; S25-G68 WeakPolarHBondContact OG-CA 3.44Å |
| 26 | A | 97.7 | Very high | 97.1 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | M22 V23 A29 A30 | M22-A26 HydrophobicContact CE-CB 3.87Å; M22-A26 WeakPolarHBondContact O-CB 3.34Å; M22-A26 PolarHBondContact O-N 3.16Å; V23-A26 PolarHBondContact O-N 3.46Å; A26-A29 PolarHBondContact O-N 2.74Å; A26-A30 WeakPolarHBondContact O-CB 3.36Å; A26-A30 PolarHBondContact O-N 2.85Å |
| 27 | L | 98.1 | Very high | 97.1 | Very high | 92 Ų | 92 | 36.3 Ų | 36.3 | 48% | 0.482 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 174.5 | -75.7 | 171.1 | 0 | 0 | 0 | 111.7 | V23 F24 A30 Y31 L103 | V23-L27 HydrophobicContact CG1-CD1 4.02Å; V23-L27 WeakPolarHBondContact O-CB 3.35Å; V23-L27 VanDerWaalsContact O-CG 3.27Å; V23-L27 WeakPolarHBondContact O-CG 3.46Å; V23-L27 PolarHBondContact O-N 2.77Å; F24-L27 HydrophobicContact CD1-CD1 4.36Å; F24-L27 PolarHBondContact O-N 3.11Å; L27-A30 PolarHBondContact O-N 3.42Å; L27-Y31 WeakPolarHBondContact O-CB 3.29Å; L27-Y31 PolarHBondContact O-N 2.91Å; L27-L103 HydrophobicContact CB-CD1 3.82Å |
| 28 | G | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.2 | -49.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F24 S25 A30 Y31 G32 G106 | F24-G28 PolarHBondContact O-N 2.92Å; S25-G28 PolarHBondContact O-N 3.48Å; G28-A30 PolarHBondContact O-N 3.15Å; G28-Y31 PolarHBondContact O-N 3.34Å; G28-G32 PolarHBondContact O-N 3.42Å; G28-G106 WeakPolarHBondContact O-CA 3.44Å |
| 29 | A | 97.7 | Very high | 97.1 | Very high | 9 Ų | 9 | 39.1 Ų | 39.1 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S25 A26 G32 T33 A61 A65 | S25-A29 WeakPolarHBondContact O-CB 3.24Å; S25-A29 PolarHBondContact O-N 3.41Å; A26-A29 PolarHBondContact O-N 2.74Å; A29-G32 PolarHBondContact O-N 2.96Å; A29-T33 VanDerWaalsContact O-CB 3.24Å; A29-T33 WeakPolarHBondContact O-CB 3.26Å; A29-T33 PolarHBondContact O-N 2.85Å; A29-T33 PolarHBondContact O-OG1 3.49Å; A29-A61 WeakPolarHBondContact CA-O 3.47Å; A29-A61 WeakPolarHBondContact CB-O 3.34Å; A29-A65 HydrophobicContact CB-CB 3.77Å |
| 30 | A | 98.2 | Very high | 97 | Very high | 57 Ų | 57 | 37.3 Ų | 37.3 | 47% | 0.471 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.7 | -46.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A26 L27 G28 T33 A34 | A26-A30 WeakPolarHBondContact O-CB 3.36Å; A26-A30 PolarHBondContact O-N 2.85Å; L27-A30 PolarHBondContact O-N 3.42Å; G28-A30 PolarHBondContact O-N 3.15Å; A30-T33 PolarHBondContact O-N 3.07Å; A30-A34 VanDerWaalsContact O-CB 3.26Å; A30-A34 WeakPolarHBondContact O-CB 3.35Å; A30-A34 PolarHBondContact O-N 3.4Å |
| 31 | Y | 98.1 | Very high | 96.9 | Very high | 69 Ų | 69 | 39.4 Ų | 39.4 | 27% | 0.271 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 176.2 | -179.3 | -89.5 | 0 | 0 | 0 | 111.8 | L27 G28 T33 A34 K35 F107 I111 | L27-Y31 WeakPolarHBondContact O-CB 3.29Å; L27-Y31 PolarHBondContact O-N 2.91Å; G28-Y31 PolarHBondContact O-N 3.34Å; Y31-T33 VanDerWaalsContact C-N 3.31Å; Y31-T33 PolarHBondContact O-N 2.93Å; Y31-A34 PolarHBondContact O-N 3.46Å; Y31-K35 HydrophobicContact CD1-CG 4.24Å; Y31-K35 HydrophobicContact CD2-CG 4.37Å; Y31-K35 HydrophobicContact CE1-CG 3.71Å; Y31-K35 HydrophobicContact CE2-CD 4.33Å; Y31-K35 HydrophobicContact CE2-CG 3.85Å; Y31-K35 PolarHBondContact O-N 2.82Å; Y31-F107 HydrophobicContact CD1-CB 4.39Å; Y31-F107 AromaticContact CD1-CD1 3.46Å; Y31-F107 HydrophobicContact CD1-CD1 3.46Å; Y31-F107 VanDerWaalsContact CD1-CD1 3.46Å; Y31-F107 AromaticContact CD1-CE1 3.8Å; Y31-F107 HydrophobicContact CD1-CE1 3.8Å; Y31-F107 AromaticContact CD1-CG 3.95Å; Y31-F107 HydrophobicContact CD1-CG 3.95Å; Y31-F107 HydrophobicContact CD2-CD1 4.2Å; Y31-F107 AromaticContact CD2-CE1 3.65Å; Y31-F107 HydrophobicContact CD2-CE1 3.65Å; Y31-F107 HydrophobicContact CD2-CZ 4.19Å; Y31-F107 HydrophobicContact CE1-CB 4.33Å; Y31-F107 AromaticContact CE1-CD1 3.19Å; Y31-F107 HydrophobicContact CE1-CD1 3.19Å; Y31-F107 AromaticContact CE1-CE1 3.66Å; Y31-F107 HydrophobicContact CE1-CE1 3.66Å; Y31-F107 AromaticContact CE1-CG 4Å; Y31-F107 HydrophobicContact CE1-CG 4Å; Y31-F107 AromaticContact CE2-CD1 3.98Å; Y31-F107 HydrophobicContact CE2-CD1 3.98Å; Y31-F107 AromaticContact CE2-CE1 3.52Å; Y31-F107 HydrophobicContact CE2-CE1 3.52Å; Y31-F107 HydrophobicContact CE2-CZ 4.44Å; Y31-F107 AromaticContact CG-CD1 3.95Å; Y31-F107 HydrophobicContact CG-CD1 3.95Å; Y31-F107 AromaticContact CG-CE1 3.78Å; Y31-F107 HydrophobicContact CG-CE1 3.78Å; Y31-F107 HydrophobicContact CG-CZ 4.23Å; Y31-F107 AromaticContact CZ-CD1 3.45Å; Y31-F107 VanDerWaalsContact CZ-CD1 3.45Å; Y31-F107 AromaticContact CZ-CE1 3.5Å; Y31-I111 HydrophobicContact CE1-CG1 4.26Å |
| 32 | G | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.4 | -44.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G28 A29 S36 G106 | G28-G32 PolarHBondContact O-N 3.42Å; A29-G32 PolarHBondContact O-N 2.96Å; G32-S36 WeakPolarHBondContact O-CB 3.08Å; G32-S36 PolarHBondContact O-N 3.38Å; G32-S36 VanDerWaalsContact O-N 3.08Å; G32-S36 PolarHBondContact O-OG 3.25Å; G32-G106 WeakPolarHBondContact CA-O 3.3Å |
| 33 | T | 97.6 | Very high | 96.6 | Very high | 56 Ų | 56 | 39 Ų | 39 | 34% | 0.344 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.5 | -45.2 | 176 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | A29 A30 Y31 G37 V58 | A29-T33 VanDerWaalsContact O-CB 3.24Å; A29-T33 WeakPolarHBondContact O-CB 3.26Å; A29-T33 PolarHBondContact O-N 2.85Å; A29-T33 PolarHBondContact O-OG1 3.49Å; A30-T33 PolarHBondContact O-N 3.07Å; Y31-T33 VanDerWaalsContact C-N 3.31Å; Y31-T33 PolarHBondContact O-N 2.93Å; T33-G37 WeakPolarHBondContact O-CA 3.1Å; T33-G37 PolarHBondContact O-N 3.3Å; T33-V58 HydrophobicContact CG2-CG1 3.97Å |
| 34 | A | 97.8 | Very high | 96.3 | Very high | 58 Ų | 58 | 36.7 Ų | 36.7 | 48% | 0.479 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.9 | -51.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A30 Y31 G37 T38 | A30-A34 VanDerWaalsContact O-CB 3.26Å; A30-A34 WeakPolarHBondContact O-CB 3.35Å; A30-A34 PolarHBondContact O-N 3.4Å; Y31-A34 PolarHBondContact O-N 3.46Å; A34-G37 PolarHBondContact O-N 3.38Å; A34-T38 WeakPolarHBondContact O-CG2 3.27Å; A34-T38 PolarHBondContact O-N 2.8Å; A34-T38 PolarHBondContact O-OG1 3.08Å |
| 35 | K | 97.2 | Very high | 96.1 | Very high | 68 Ų | 68 | 39.4 Ų | 39.4 | 30% | 0.296 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.4 | -49.8 | -178.5 | -70.3 | -69.8 | -74 | 155.5 | 0 | 111.9 | Y31 G37 T38 G39 G110 D114 | Y31-K35 HydrophobicContact CD1-CG 4.24Å; Y31-K35 HydrophobicContact CD2-CG 4.37Å; Y31-K35 HydrophobicContact CE1-CG 3.71Å; Y31-K35 HydrophobicContact CE2-CD 4.33Å; Y31-K35 HydrophobicContact CE2-CG 3.85Å; Y31-K35 PolarHBondContact O-N 2.82Å; K35-G37 VanDerWaalsContact C-N 3.3Å; K35-G37 PolarHBondContact O-N 3.23Å; K35-T38 PolarHBondContact O-N 3.24Å; K35-T38 PolarHBondContact O-OG1 3Å; K35-G39 PolarHBondContact O-N 3.41Å; K35-G110 WeakPolarHBondContact CB-O 3.21Å; K35-D114 IonicContact NZ-OD2 3.22Å; K35-D114 PolarHBondContact NZ-OD2 2.78Å |
| 36 | S | 95.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 177.8 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | G32 T38 G39 I40 | G32-S36 WeakPolarHBondContact O-CB 3.08Å; G32-S36 PolarHBondContact O-N 3.38Å; G32-S36 VanDerWaalsContact O-N 3.08Å; G32-S36 PolarHBondContact O-OG 3.25Å; S36-T38 PolarHBondContact O-N 3.41Å; S36-G39 PolarHBondContact O-N 3.42Å; S36-I40 VanDerWaalsContact O-CG1 3.27Å; S36-I40 WeakPolarHBondContact O-CG1 3.42Å; S36-I40 PolarHBondContact O-N 3.37Å |
| 37 | G | 95.9 | Very high | 95.5 | Very high | 26 Ų | 26 | 50.7 Ų | 50.7 | 27% | 0.268 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T33 A34 K35 G39 I40 A41 | T33-G37 WeakPolarHBondContact O-CA 3.1Å; T33-G37 PolarHBondContact O-N 3.3Å; A34-G37 PolarHBondContact O-N 3.38Å; K35-G37 VanDerWaalsContact C-N 3.3Å; K35-G37 PolarHBondContact O-N 3.23Å; G37-G39 VanDerWaalsContact C-N 3.32Å; G37-G39 PolarHBondContact O-N 2.89Å; G37-I40 PolarHBondContact O-N 3.27Å; G37-A41 WeakPolarHBondContact O-CB 3.37Å; G37-A41 PolarHBondContact O-N 3.09Å |
| 38 | T | 96.1 | Very high | 95.2 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 46% | 0.46 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.8 | -36.6 | 174.6 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | A34 K35 S36 A42 | A34-T38 WeakPolarHBondContact O-CG2 3.27Å; A34-T38 PolarHBondContact O-N 2.8Å; A34-T38 PolarHBondContact O-OG1 3.08Å; K35-T38 PolarHBondContact O-N 3.24Å; K35-T38 PolarHBondContact O-OG1 3Å; S36-T38 PolarHBondContact O-N 3.41Å; T38-A42 WeakPolarHBondContact O-CB 3.39Å; T38-A42 PolarHBondContact O-N 3.18Å |
| 39 | G | 94.1 | Very high | 95 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K35 S36 G37 A42 M43 D114 | K35-G39 PolarHBondContact O-N 3.41Å; S36-G39 PolarHBondContact O-N 3.42Å; G37-G39 VanDerWaalsContact C-N 3.32Å; G37-G39 PolarHBondContact O-N 2.89Å; G39-A42 PolarHBondContact O-N 3Å; G39-M43 WeakPolarHBondContact O-CB 3.26Å; G39-M43 PolarHBondContact O-N 3.24Å; G39-D114 WeakPolarHBondContact CA-OD1 3.38Å; G39-D114 PolarHBondContact N-OD1 3.35Å |
| 40 | I | 95.3 | Very high | 94.6 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 10% | 0.097 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 176.8 | -63.5 | 161.5 | 0 | 0 | 0 | 110.2 | S36 G37 A42 M43 S44 S54 V58 V117 | S36-I40 VanDerWaalsContact O-CG1 3.27Å; S36-I40 WeakPolarHBondContact O-CG1 3.42Å; S36-I40 PolarHBondContact O-N 3.37Å; G37-I40 PolarHBondContact O-N 3.27Å; I40-A42 VanDerWaalsContact C-N 3.34Å; I40-A42 PolarHBondContact O-N 3.33Å; I40-M43 PolarHBondContact O-N 3.02Å; I40-S44 VanDerWaalsContact O-CB 3.27Å; I40-S44 WeakPolarHBondContact O-CB 3.27Å; I40-S44 PolarHBondContact O-N 3.04Å; I40-S44 PolarHBondContact O-OG 3.25Å; I40-S54 WeakPolarHBondContact CD1-O 3.49Å; I40-S54 WeakPolarHBondContact CG1-O 3.35Å; I40-V58 HydrophobicContact CD1-CG2 3.61Å; I40-V117 HydrophobicContact CG1-CG1 4.14Å; I40-V117 HydrophobicContact CG1-CG2 4.39Å |
| 41 | A | 94.9 | Very high | 94.3 | Very high | 55 Ų | 55 | 58.7 Ų | 58.7 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G37 S44 | G37-A41 WeakPolarHBondContact O-CB 3.37Å; G37-A41 PolarHBondContact O-N 3.09Å; A41-S44 WeakPolarHBondContact CA-OG 3.34Å; A41-S44 PolarHBondContact O-OG 3.26Å |
| 42 | A | 93.8 | Very high | 94 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 37% | 0.372 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.8 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | T38 G39 I40 | T38-A42 WeakPolarHBondContact O-CB 3.39Å; T38-A42 PolarHBondContact O-N 3.18Å; G39-A42 PolarHBondContact O-N 3Å; I40-A42 VanDerWaalsContact C-N 3.34Å; I40-A42 PolarHBondContact O-N 3.33Å |
| 43 | M | 93 | Very high | 93.6 | Very high | 9 Ų | 9 | 68.4 Ų | 68.4 | 4% | 0.044 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71 | -38.8 | 179.3 | -179.7 | -81 | -64.8 | 0 | 0 | 112.3 | G39 I40 V45 M46 R47 L50 S54 A121 | G39-M43 WeakPolarHBondContact O-CB 3.26Å; G39-M43 PolarHBondContact O-N 3.24Å; I40-M43 PolarHBondContact O-N 3.02Å; M43-V45 PolarHBondContact O-N 3.44Å; M43-M46 PolarHBondContact O-N 2.75Å; M43-R47 PolarHBondContact O-N 2.94Å; M43-R47 HydrophobicContact SD-CB 4.03Å; M43-R47 VanDerWaalsContact SD-O 3.35Å; M43-L50 HydrophobicContact CE-CB 3.81Å; M43-L50 HydrophobicContact SD-CB 3.71Å; M43-L50 HydrophobicContact SD-CD1 4.23Å; M43-S54 WeakPolarHBondContact CE-OG 3.46Å; M43-A121 HydrophobicContact CB-CB 4.49Å; M43-A121 HydrophobicContact CG-CB 3.44Å; M43-A121 VanDerWaalsContact CG-CB 3.44Å |
| 44 | S | 92.2 | Very high | 93.3 | Very high | 31 Ų | 31 | 65.8 Ų | 65.8 | 22% | 0.217 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.6 | -25.1 | -174.6 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | I40 A41 M46 P48 | I40-S44 VanDerWaalsContact O-CB 3.27Å; I40-S44 WeakPolarHBondContact O-CB 3.27Å; I40-S44 PolarHBondContact O-N 3.04Å; I40-S44 PolarHBondContact O-OG 3.25Å; A41-S44 WeakPolarHBondContact CA-OG 3.34Å; A41-S44 PolarHBondContact O-OG 3.26Å; S44-M46 VanDerWaalsContact C-N 3.28Å; S44-M46 PolarHBondContact O-N 2.89Å; S44-P48 WeakPolarHBondContact O-CA 3.35Å; S44-P48 WeakPolarHBondContact O-CD 3.37Å |
| 45 | V | 93.2 | Very high | 93.1 | Very high | 119 Ų | 119 | 66.3 Ų | 66.3 | 72% | 0.721 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -38.7 | 173.4 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | M43 | M43-V45 PolarHBondContact O-N 3.44Š|
| 46 | M | 90.9 | Very high | 93.1 | Very high | 159 Ų | 159 | 65.3 Ų | 65.3 | 78% | 0.783 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -33 | -177.1 | -63.9 | -65.7 | -70.2 | 0 | 0 | 112.8 | M43 S44 | M43-M46 PolarHBondContact O-N 2.75Å; S44-M46 VanDerWaalsContact C-N 3.28Å; S44-M46 PolarHBondContact O-N 2.89Å |
| 47 | R | 92 | Very high | 93 | Very high | 118 Ų | 118 | 65.3 Ų | 65.3 | 45% | 0.445 | 35% | 0.354 | S | S | . | . | trans | -139.1 | 74.8 | -177 | -66.8 | -159.9 | -178.9 | -161.5 | 5.6 | 112.2 | M43 E49 L50 A121 | M43-R47 PolarHBondContact O-N 2.94Å; M43-R47 HydrophobicContact SD-CB 4.03Å; M43-R47 VanDerWaalsContact SD-O 3.35Å; R47-E49 PolarHBondContact O-N 3.42Å; R47-L50 HydrophobicContact CB-CD1 3.91Å; R47-L50 HydrophobicContact CB-CG 4.21Å; R47-L50 HydrophobicContact CG-CD1 4.49Å; R47-L50 PolarHBondContact O-N 3.1Å; R47-L50 VanDerWaalsContact O-N 3.16Å; R47-A121 VanDerWaalsContact CZ-O 3.31Å; R47-A121 PolarHBondContact NE-O 2.9Å | ||
| 48 | P | 91.4 | Very high | 93.1 | Very high | 69 Ų | 69 | 66 Ų | 66 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -62.1 | -27.5 | -177.3 | 25.2 | -34.6 | 0 | 0 | 0 | 113.4 | S44 L50 I51 | S44-P48 WeakPolarHBondContact O-CA 3.35Å; S44-P48 WeakPolarHBondContact O-CD 3.37Å; P48-L50 PolarHBondContact O-N 3.22Å; P48-I51 HydrophobicContact CB-CD1 4.21Å; P48-I51 WeakPolarHBondContact O-CB 3.48Å; P48-I51 WeakPolarHBondContact O-CD1 3.26Å; P48-I51 WeakPolarHBondContact O-CG1 3.45Å; P48-I51 PolarHBondContact O-N 2.95Å; P48-I51 VanDerWaalsContact O-N 3.15Å |
| 49 | E | 92.6 | Very high | 93.1 | Very high | 166 Ų | 166 | 66.3 Ų | 66.3 | 78% | 0.776 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -55.6 | -26.3 | 177 | -20.6 | -68.9 | -177.5 | 0 | 0 | 113.2 | R47 | R47-E49 PolarHBondContact O-N 3.42Š|
| 50 | L | 90.4 | Very high | 93.2 | Very high | 27 Ų | 27 | 67.9 Ų | 67.9 | 14% | 0.141 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -92.7 | -2.3 | -173.6 | -60.8 | 179.5 | 0 | 0 | 0 | 113.5 | M43 R47 P48 M52 K53 S54 | M43-L50 HydrophobicContact CE-CB 3.81Å; M43-L50 HydrophobicContact SD-CB 3.71Å; M43-L50 HydrophobicContact SD-CD1 4.23Å; R47-L50 HydrophobicContact CB-CD1 3.91Å; R47-L50 HydrophobicContact CB-CG 4.21Å; R47-L50 HydrophobicContact CG-CD1 4.49Å; R47-L50 PolarHBondContact O-N 3.1Å; R47-L50 VanDerWaalsContact O-N 3.16Å; P48-L50 PolarHBondContact O-N 3.22Å; L50-M52 VanDerWaalsContact C-N 3.35Å; L50-M52 PolarHBondContact O-N 2.93Å; L50-K53 HydrophobicContact CD2-CD 4.43Å; L50-K53 PolarHBondContact O-N 2.81Å; L50-S54 WeakPolarHBondContact O-CB 3.27Å; L50-S54 PolarHBondContact O-N 2.88Å; L50-S54 PolarHBondContact O-OG 2.9Å |
| 51 | I | 91.8 | Very high | 93.2 | Very high | 63 Ų | 63 | 67 Ų | 67 | 32% | 0.323 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.7 | -49.9 | -178.2 | -68.3 | 166.1 | 0 | 0 | 0 | 110.8 | P48 K53 S54 I55 | P48-I51 HydrophobicContact CB-CD1 4.21Å; P48-I51 WeakPolarHBondContact O-CB 3.48Å; P48-I51 WeakPolarHBondContact O-CD1 3.26Å; P48-I51 WeakPolarHBondContact O-CG1 3.45Å; P48-I51 PolarHBondContact O-N 2.95Å; P48-I51 VanDerWaalsContact O-N 3.15Å; I51-K53 VanDerWaalsContact C-N 3.28Å; I51-K53 PolarHBondContact O-N 3.49Å; I51-S54 PolarHBondContact O-N 3.45Å; I51-I55 PolarHBondContact O-N 3.4Å |
| 52 | M | 90.4 | Very high | 93.2 | Very high | 149 Ų | 149 | 65.8 Ų | 65.8 | 73% | 0.734 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.9 | -34.1 | -174.7 | -160.3 | 61.1 | 68.5 | 0 | 0 | 112.3 | L50 I55 | L50-M52 VanDerWaalsContact C-N 3.35Å; L50-M52 PolarHBondContact O-N 2.93Å; M52-I55 HydrophobicContact SD-CD1 4.47Å |
| 53 | K | 88.8 | Confident | 93.4 | Very high | 125 Ų | 125 | 66.3 Ų | 66.3 | 54% | 0.543 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.8 | -33.7 | 174.7 | -67.5 | -177 | 179.9 | 178.2 | 0 | 111.8 | L50 I51 I55 F127 | L50-K53 HydrophobicContact CD2-CD 4.43Å; L50-K53 PolarHBondContact O-N 2.81Å; I51-K53 VanDerWaalsContact C-N 3.28Å; I51-K53 PolarHBondContact O-N 3.49Å; K53-I55 VanDerWaalsContact C-N 3.3Å; K53-I55 PolarHBondContact O-N 3.31Å; K53-F127 HydrophobicContact CB-CE2 3.96Å; K53-F127 HydrophobicContact CB-CZ 3.96Å; K53-F127 VanDerWaalsContact O-CE2 3.28Å; K53-F127 WeakPolarHBondContact O-CE2 3.48Å |
| 54 | S | 91.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.007 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -84.3 | -2.5 | -173.3 | -53.8 | 0 | 0 | 0 | 0 | 113.7 | I40 M43 L50 I51 I56 P57 | I40-S54 WeakPolarHBondContact CD1-O 3.49Å; I40-S54 WeakPolarHBondContact CG1-O 3.35Å; M43-S54 WeakPolarHBondContact CE-OG 3.46Å; L50-S54 WeakPolarHBondContact O-CB 3.27Å; L50-S54 PolarHBondContact O-N 2.88Å; L50-S54 PolarHBondContact O-OG 2.9Å; I51-S54 PolarHBondContact O-N 3.45Å; S54-I56 VanDerWaalsContact C-N 3.3Å; S54-I56 PolarHBondContact O-N 2.76Å; S54-P57 WeakPolarHBondContact O-CD 3.19Å |
| 55 | I | 95.1 | Very high | 93.7 | Very high | 68 Ų | 68 | 65.6 Ų | 65.6 | 35% | 0.349 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -19.6 | 177.6 | -99.1 | 171.4 | 0 | 0 | 0 | 113.3 | I51 M52 K53 P57 V58 V59 | I51-I55 PolarHBondContact O-N 3.4Å; M52-I55 HydrophobicContact SD-CD1 4.47Å; K53-I55 VanDerWaalsContact C-N 3.3Å; K53-I55 PolarHBondContact O-N 3.31Å; I55-P57 VanDerWaalsContact C-CD 3.45Å; I55-V58 WeakPolarHBondContact O-CB 3.45Å; I55-V58 PolarHBondContact O-N 2.94Å; I55-V59 HydrophobicContact CG2-CG2 3.65Å; I55-V59 PolarHBondContact O-N 3.03Å; I55-V59 VanDerWaalsContact O-N 3.11Å |
| 56 | I | 95.8 | Very high | 94 | Very high | 48 Ų | 48 | 64.4 Ų | 64.4 | 25% | 0.246 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -52.3 | -46.8 | -174.5 | -61.9 | 174.7 | 0 | 0 | 0 | 113.8 | S54 V58 V59 M60 F127 I131 | S54-I56 VanDerWaalsContact C-N 3.3Å; S54-I56 PolarHBondContact O-N 2.76Å; I56-V58 VanDerWaalsContact C-N 3.26Å; I56-V58 PolarHBondContact O-N 3.48Å; I56-V59 PolarHBondContact O-N 3.3Å; I56-M60 HydrophobicContact CG2-CE 3.79Å; I56-M60 HydrophobicContact CG2-CG 4.33Å; I56-M60 HydrophobicContact CG2-SD 3.94Å; I56-M60 WeakPolarHBondContact O-CG 3.45Å; I56-M60 PolarHBondContact O-N 3Å; I56-F127 HydrophobicContact CD1-CE2 4.21Å; I56-F127 HydrophobicContact CD1-CZ 3.62Å; I56-I131 HydrophobicContact CD1-CD1 3.93Å; I56-I131 HydrophobicContact CD1-CG1 4.38Å |
| 57 | P | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.7 | -32.5 | 179.2 | -16 | 29.4 | 0 | 0 | 0 | 112.8 | S54 I55 A61 I109 V117 M130 L134 | S54-P57 WeakPolarHBondContact O-CD 3.19Å; I55-P57 VanDerWaalsContact C-CD 3.45Å; P57-A61 WeakPolarHBondContact O-CB 3.15Å; P57-A61 PolarHBondContact O-N 3Å; P57-I109 HydrophobicContact CB-CG2 4.47Å; P57-I109 WeakPolarHBondContact O-CG2 3.43Å; P57-V117 HydrophobicContact CG-CG1 4.25Å; P57-M130 HydrophobicContact CG-CE 4.4Å; P57-M130 HydrophobicContact CG-SD 4.49Å; P57-L134 HydrophobicContact CB-CD1 3.95Å; P57-L134 HydrophobicContact CB-CD2 4.41Å; P57-L134 HydrophobicContact CG-CD1 3.7Å |
| 58 | V | 96.6 | Very high | 94.4 | Very high | 40 Ų | 40 | 52.7 Ų | 52.7 | 24% | 0.242 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.2 | -42.8 | 176.4 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | T33 I40 I55 I56 M60 A61 G62 | T33-V58 HydrophobicContact CG2-CG1 3.97Å; I40-V58 HydrophobicContact CD1-CG2 3.61Å; I55-V58 WeakPolarHBondContact O-CB 3.45Å; I55-V58 PolarHBondContact O-N 2.94Å; I56-V58 VanDerWaalsContact C-N 3.26Å; I56-V58 PolarHBondContact O-N 3.48Å; V58-M60 VanDerWaalsContact C-N 3.35Å; V58-A61 PolarHBondContact O-N 3.11Å; V58-G62 PolarHBondContact O-N 3.45Å |
| 59 | V | 96.8 | Very high | 94.7 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 175.5 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | I55 I56 A61 G62 I63 | I55-V59 HydrophobicContact CG2-CG2 3.65Å; I55-V59 PolarHBondContact O-N 3.03Å; I55-V59 VanDerWaalsContact O-N 3.11Å; I56-V59 PolarHBondContact O-N 3.3Å; V59-A61 PolarHBondContact O-N 3.08Å; V59-G62 WeakPolarHBondContact O-CA 3.28Å; V59-G62 PolarHBondContact O-N 3.39Å; V59-G62 VanDerWaalsContact O-N 3.07Å; V59-I63 HydrophobicContact CG1-CD1 4.46Å; V59-I63 WeakPolarHBondContact O-CG1 3.24Å; V59-I63 PolarHBondContact O-N 2.88Å; V59-I63 VanDerWaalsContact O-N 3.09Å |
| 60 | M | 95.1 | Very high | 94.9 | Very high | 32 Ų | 32 | 49 Ų | 49 | 16% | 0.158 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 177.9 | -70.6 | 179.3 | 167.5 | 0 | 0 | 112.6 | I56 V58 G62 I63 I109 L134 I135 | I56-M60 HydrophobicContact CG2-CE 3.79Å; I56-M60 HydrophobicContact CG2-CG 4.33Å; I56-M60 HydrophobicContact CG2-SD 3.94Å; I56-M60 WeakPolarHBondContact O-CG 3.45Å; I56-M60 PolarHBondContact O-N 3Å; V58-M60 VanDerWaalsContact C-N 3.35Å; M60-G62 VanDerWaalsContact C-N 3.3Å; M60-G62 PolarHBondContact O-N 3.44Å; M60-I63 PolarHBondContact O-N 3.43Å; M60-I109 HydrophobicContact CB-CD1 4.22Å; M60-L134 HydrophobicContact SD-CB 3.65Å; M60-L134 HydrophobicContact SD-CD1 4.36Å; M60-I135 HydrophobicContact CE-CG1 4.3Å |
| 61 | A | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | A29 P57 V58 V59 I63 I64 I109 | A29-A61 WeakPolarHBondContact CA-O 3.47Å; A29-A61 WeakPolarHBondContact CB-O 3.34Å; P57-A61 WeakPolarHBondContact O-CB 3.15Å; P57-A61 PolarHBondContact O-N 3Å; V58-A61 PolarHBondContact O-N 3.11Å; V59-A61 PolarHBondContact O-N 3.08Å; A61-I63 PolarHBondContact O-N 3.29Å; A61-I64 WeakPolarHBondContact O-CB 3.49Å; A61-I64 PolarHBondContact O-N 3.5Å; A61-I109 HydrophobicContact CB-CG2 4.1Å |
| 62 | G | 95.9 | Very high | 95.4 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 32% | 0.32 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.2 | -35.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V58 V59 M60 I64 A65 | V58-G62 PolarHBondContact O-N 3.45Å; V59-G62 WeakPolarHBondContact O-CA 3.28Å; V59-G62 PolarHBondContact O-N 3.39Å; V59-G62 VanDerWaalsContact O-N 3.07Å; M60-G62 VanDerWaalsContact C-N 3.3Å; M60-G62 PolarHBondContact O-N 3.44Å; G62-I64 PolarHBondContact O-N 3.33Å; G62-A65 PolarHBondContact O-N 3.25Å |
| 63 | I | 97.2 | Very high | 95.7 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.1 | -33.6 | 178.8 | -67.1 | 169.4 | 0 | 0 | 0 | 111.5 | V59 M60 A61 A65 I66 Y67 | V59-I63 HydrophobicContact CG1-CD1 4.46Å; V59-I63 WeakPolarHBondContact O-CG1 3.24Å; V59-I63 PolarHBondContact O-N 2.88Å; V59-I63 VanDerWaalsContact O-N 3.09Å; M60-I63 PolarHBondContact O-N 3.43Å; A61-I63 PolarHBondContact O-N 3.29Å; I63-A65 VanDerWaalsContact C-N 3.31Å; I63-A65 PolarHBondContact O-N 3.02Å; I63-I66 WeakPolarHBondContact O-CB 3.39Å; I63-I66 PolarHBondContact O-N 3.46Å; I63-Y67 HydrophobicContact CG2-CD1 4.4Å; I63-Y67 HydrophobicContact CG2-CE1 3.57Å; I63-Y67 HydrophobicContact CG2-CE2 4.07Å; I63-Y67 VanDerWaalsContact CG2-OH 3.26Å; I63-Y67 WeakPolarHBondContact CG2-OH 3.34Å; I63-Y67 PolarHBondContact O-N 3Å |
| 64 | I | 96.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 177.3 | -65.5 | 172.3 | 0 | 0 | 0 | 112 | A61 G62 I66 Y67 G68 G102 A105 I109 | A61-I64 WeakPolarHBondContact O-CB 3.49Å; A61-I64 PolarHBondContact O-N 3.5Å; G62-I64 PolarHBondContact O-N 3.33Å; I64-I66 PolarHBondContact O-N 3.37Å; I64-Y67 WeakPolarHBondContact O-CB 3.47Å; I64-Y67 PolarHBondContact O-N 3.23Å; I64-G68 PolarHBondContact O-N 3.31Å; I64-G102 VanDerWaalsContact CG2-CA 3.43Å; I64-G102 WeakPolarHBondContact CG2-O 3.38Å; I64-A105 HydrophobicContact CD1-CB 3.63Å; I64-A105 HydrophobicContact CG1-CB 4.48Å; I64-I109 HydrophobicContact CD1-CD1 3.64Å |
| 65 | A | 96.6 | Very high | 96 | Very high | 25 Ų | 25 | 38.7 Ų | 38.7 | 21% | 0.207 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65 | -32.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M22 A29 G62 I63 Y67 G68 L69 | M22-A65 HydrophobicContact CE-CB 4.48Å; A29-A65 HydrophobicContact CB-CB 3.77Å; G62-A65 PolarHBondContact O-N 3.25Å; I63-A65 VanDerWaalsContact C-N 3.31Å; I63-A65 PolarHBondContact O-N 3.02Å; A65-Y67 VanDerWaalsContact C-N 3.32Å; A65-Y67 PolarHBondContact O-N 3.43Å; A65-G68 PolarHBondContact O-N 3.47Å; A65-L69 WeakPolarHBondContact O-CB 3.35Å; A65-L69 PolarHBondContact O-N 2.99Å |
| 66 | I | 97.6 | Very high | 95.9 | Very high | 94 Ų | 94 | 38.1 Ų | 38.1 | 48% | 0.482 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.5 | -38.2 | 176.1 | -57.6 | 175.9 | 0 | 0 | 0 | 110.2 | I63 I64 G68 L69 V70 | I63-I66 WeakPolarHBondContact O-CB 3.39Å; I63-I66 PolarHBondContact O-N 3.46Å; I64-I66 PolarHBondContact O-N 3.37Å; I66-G68 PolarHBondContact O-N 3.35Å; I66-L69 PolarHBondContact O-N 2.89Å; I66-V70 HydrophobicContact CG2-CG2 4.27Å; I66-V70 VanDerWaalsContact O-CG2 3.31Å; I66-V70 WeakPolarHBondContact O-CG2 3.4Å; I66-V70 PolarHBondContact O-N 3.17Å |
| 67 | Y | 96.8 | Very high | 95.7 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 176.3 | -58.3 | -23.1 | 0 | 0 | 0 | 112.2 | I63 I64 A65 V70 V71 E138 L142 L145 | I63-Y67 HydrophobicContact CG2-CD1 4.4Å; I63-Y67 HydrophobicContact CG2-CE1 3.57Å; I63-Y67 HydrophobicContact CG2-CE2 4.07Å; I63-Y67 VanDerWaalsContact CG2-OH 3.26Å; I63-Y67 WeakPolarHBondContact CG2-OH 3.34Å; I63-Y67 PolarHBondContact O-N 3Å; I64-Y67 WeakPolarHBondContact O-CB 3.47Å; I64-Y67 PolarHBondContact O-N 3.23Å; A65-Y67 VanDerWaalsContact C-N 3.32Å; A65-Y67 PolarHBondContact O-N 3.43Å; Y67-V70 PolarHBondContact O-N 3.38Å; Y67-V71 PolarHBondContact O-N 3.28Å; Y67-E138 PolarHBondContact OH-OE1 3.14Å; Y67-L142 HydrophobicContact CE1-CD2 4.1Å; Y67-L142 HydrophobicContact CE2-CD2 3.95Å; Y67-L142 HydrophobicContact CE2-CG 4.12Å; Y67-L142 VanDerWaalsContact CZ-CD2 3.49Å; Y67-L142 WeakPolarHBondContact OH-CD2 3.16Å; Y67-L145 HydrophobicContact CD1-CD2 3.69Å; Y67-L145 HydrophobicContact CE1-CD2 4.12Å; Y67-L145 HydrophobicContact CG-CD2 3.98Å |
| 68 | G | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S25 I64 A65 I66 V71 A72 | S25-G68 WeakPolarHBondContact OG-CA 3.44Å; I64-G68 PolarHBondContact O-N 3.31Å; A65-G68 PolarHBondContact O-N 3.47Å; I66-G68 PolarHBondContact O-N 3.35Å; G68-V71 PolarHBondContact O-N 2.91Å; G68-A72 VanDerWaalsContact O-CB 3.3Å; G68-A72 WeakPolarHBondContact O-CB 3.42Å; G68-A72 PolarHBondContact O-N 3.4Å |
| 69 | L | 97.1 | Very high | 94.7 | Very high | 90 Ų | 90 | 45.7 Ų | 45.7 | 47% | 0.471 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 175.5 | 176.9 | 64.2 | 0 | 0 | 0 | 111.8 | M22 A65 I66 V71 A72 V73 | M22-L69 HydrophobicContact SD-CB 4.07Å; M22-L69 HydrophobicContact SD-CD1 4.23Å; A65-L69 WeakPolarHBondContact O-CB 3.35Å; A65-L69 PolarHBondContact O-N 2.99Å; I66-L69 PolarHBondContact O-N 2.89Å; L69-V71 PolarHBondContact O-N 2.89Å; L69-A72 PolarHBondContact O-N 2.95Å; L69-V73 HydrophobicContact CD1-CG2 4.12Å; L69-V73 WeakPolarHBondContact O-CG2 3.26Å; L69-V73 PolarHBondContact O-N 3.44Å |
| 70 | V | 96.6 | Very high | 93.9 | Very high | 67 Ų | 67 | 44.9 Ų | 44.9 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.7 | -47.3 | 179.7 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | I66 Y67 V73 L74 | I66-V70 HydrophobicContact CG2-CG2 4.27Å; I66-V70 VanDerWaalsContact O-CG2 3.31Å; I66-V70 WeakPolarHBondContact O-CG2 3.4Å; I66-V70 PolarHBondContact O-N 3.17Å; Y67-V70 PolarHBondContact O-N 3.38Å; V70-V73 PolarHBondContact O-N 3.12Å; V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 VanDerWaalsContact O-CG 3.27Å; V70-L74 WeakPolarHBondContact O-CG 3.23Å; V70-L74 PolarHBondContact O-N 2.88Å |
| 71 | V | 96.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.6 | -41.5 | 178.2 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | A21 Y67 G68 L69 V73 L74 I75 V98 L145 A148 | A21-V71 HydrophobicContact CB-CB 4.46Å; A21-V71 HydrophobicContact CB-CG1 4.24Å; Y67-V71 PolarHBondContact O-N 3.28Å; G68-V71 PolarHBondContact O-N 2.91Å; L69-V71 PolarHBondContact O-N 2.89Å; V71-V73 VanDerWaalsContact C-N 3.35Å; V71-V73 PolarHBondContact O-N 3.31Å; V71-L74 PolarHBondContact O-N 3.03Å; V71-I75 HydrophobicContact CG1-CD1 3.77Å; V71-I75 HydrophobicContact CG1-CG1 4.32Å; V71-I75 VanDerWaalsContact O-CG1 3.32Å; V71-I75 WeakPolarHBondContact O-CG1 3.32Å; V71-I75 PolarHBondContact O-N 2.6Å; V71-V98 HydrophobicContact CB-CG1 3.92Å; V71-V98 HydrophobicContact CG1-CG1 3.9Å; V71-V98 HydrophobicContact CG2-CB 4.27Å; V71-V98 HydrophobicContact CG2-CG1 3.98Å; V71-V98 HydrophobicContact CG2-CG2 4.23Å; V71-L145 HydrophobicContact CG2-CD1 3.55Å; V71-A148 HydrophobicContact CG1-CB 4.12Å; V71-A148 HydrophobicContact CG2-CB 3.88Å |
| 72 | A | 96.3 | Very high | 91.8 | Very high | 14 Ų | 14 | 63 Ų | 63 | 12% | 0.116 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | A18 A21 M22 G68 L69 I75 A76 | A18-A72 HydrophobicContact CB-CB 4.46Å; A21-A72 HydrophobicContact CB-CB 4.36Å; M22-A72 HydrophobicContact CB-CB 4.43Å; G68-A72 VanDerWaalsContact O-CB 3.3Å; G68-A72 WeakPolarHBondContact O-CB 3.42Å; G68-A72 PolarHBondContact O-N 3.4Å; L69-A72 PolarHBondContact O-N 2.95Å; A72-I75 PolarHBondContact O-N 3.49Å; A72-A76 VanDerWaalsContact O-CB 3.31Å; A72-A76 WeakPolarHBondContact O-CB 3.38Å; A72-A76 PolarHBondContact O-N 2.92Å |
| 73 | V | 95.9 | Very high | 91.2 | Very high | 71 Ų | 71 | 62 Ų | 62 | 43% | 0.43 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 176 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | L69 V70 V71 I75 A76 N77 | L69-V73 HydrophobicContact CD1-CG2 4.12Å; L69-V73 WeakPolarHBondContact O-CG2 3.26Å; L69-V73 PolarHBondContact O-N 3.44Å; V70-V73 PolarHBondContact O-N 3.12Å; V71-V73 VanDerWaalsContact C-N 3.35Å; V71-V73 PolarHBondContact O-N 3.31Å; V73-I75 PolarHBondContact O-N 3.19Å; V73-A76 PolarHBondContact O-N 3.4Å; V73-N77 PolarHBondContact O-N 3.45Å; V73-N77 PolarHBondContact O-ND2 3.29Å |
| 74 | L | 94.2 | Very high | 90.8 | Very high | 63 Ų | 63 | 61 Ų | 61 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.7 | -41 | 176.3 | -73.8 | 171.5 | 0 | 0 | 0 | 112.4 | V70 V71 N78 L149 | V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 VanDerWaalsContact O-CG 3.27Å; V70-L74 WeakPolarHBondContact O-CG 3.23Å; V70-L74 PolarHBondContact O-N 2.88Å; V71-L74 PolarHBondContact O-N 3.03Å; L74-N78 PolarHBondContact O-ND2 3.37Å; L74-L149 HydrophobicContact CD1-CD2 3.44Å; L74-L149 VanDerWaalsContact CD1-CD2 3.44Å |
| 75 | I | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.1 | -46.4 | 174.8 | -65.4 | 168 | 0 | 0 | 0 | 109.8 | A14 A18 V71 A72 V73 N77 N78 I79 H91 | A14-I75 WeakPolarHBondContact O-CG2 3.27Å; A18-I75 HydrophobicContact CB-CB 4.14Å; A18-I75 HydrophobicContact CB-CG2 3.92Å; V71-I75 HydrophobicContact CG1-CD1 3.77Å; V71-I75 HydrophobicContact CG1-CG1 4.32Å; V71-I75 VanDerWaalsContact O-CG1 3.32Å; V71-I75 WeakPolarHBondContact O-CG1 3.32Å; V71-I75 PolarHBondContact O-N 2.6Å; A72-I75 PolarHBondContact O-N 3.49Å; V73-I75 PolarHBondContact O-N 3.19Å; I75-N77 VanDerWaalsContact C-N 3.3Å; I75-N77 PolarHBondContact O-N 3.45Å; I75-N78 PolarHBondContact O-N 3.36Å; I75-I79 HydrophobicContact CG2-CD1 4.07Å; I75-I79 HydrophobicContact CG2-CG1 4.37Å; I75-I79 WeakPolarHBondContact O-CG1 3.38Å; I75-I79 PolarHBondContact O-N 3.29Å; I75-H91 HydrophobicContact CD1-CB 4.42Å; I75-H91 WeakPolarHBondContact CD1-O 3.45Å; I75-H91 HydrophobicContact CG1-CB 4.29Å; I75-H91 HydrophobicContact CG2-CB 3.89Å |
| 76 | A | 91.8 | Very high | 90.1 | Very high | 56 Ų | 56 | 68.3 Ų | 68.3 | 46% | 0.463 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56.2 | -42.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A72 V73 N78 I79 | A72-A76 VanDerWaalsContact O-CB 3.31Å; A72-A76 WeakPolarHBondContact O-CB 3.38Å; A72-A76 PolarHBondContact O-N 2.92Å; V73-A76 PolarHBondContact O-N 3.4Å; A76-N78 PolarHBondContact O-N 3.17Å; A76-I79 PolarHBondContact O-N 3.07Å |
| 77 | N | 91.3 | Very high | 89.7 | Confident | 131 Ų | 131 | 67 Ų | 67 | 70% | 0.701 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -17.8 | 177.4 | -73 | -23.3 | 0 | 0 | 0 | 114 | V73 I75 | V73-N77 PolarHBondContact O-N 3.45Å; V73-N77 PolarHBondContact O-ND2 3.29Å; I75-N77 VanDerWaalsContact C-N 3.3Å; I75-N77 PolarHBondContact O-N 3.45Å |
| 78 | N | 86.2 | Confident | 89.5 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 32% | 0.316 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -6.9 | -179.4 | -85.7 | -74.7 | 0 | 0 | 0 | 113.8 | L74 I75 A76 K87 | L74-N78 PolarHBondContact O-ND2 3.37Å; I75-N78 PolarHBondContact O-N 3.36Å; A76-N78 PolarHBondContact O-N 3.17Å; N78-K87 PolarHBondContact OD1-NZ 3.1Å |
| 79 | I | 85.2 | Confident | 89.3 | Confident | 56 Ų | 56 | 70.2 Ų | 70.2 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | trans | -75.5 | 126.3 | 178.8 | -70.7 | 166.5 | 0 | 0 | 0 | 109.5 | A14 V15 I75 A76 | A14-I79 HydrophobicContact CB-CD1 4.1Å; A14-I79 HydrophobicContact CB-CG1 3.85Å; V15-I79 HydrophobicContact CG2-CD1 3.86Å; I75-I79 HydrophobicContact CG2-CD1 4.07Å; I75-I79 HydrophobicContact CG2-CG1 4.37Å; I75-I79 WeakPolarHBondContact O-CG1 3.38Å; I75-I79 PolarHBondContact O-N 3.29Å; A76-I79 PolarHBondContact O-N 3.07Å | ||
| 80 | S | 81.1 | Confident | 89.2 | Confident | 65 Ų | 65 | 67 Ų | 67 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | trans | -140 | 162.3 | 172.3 | 60.5 | 0 | 0 | 0 | 0 | 110.3 | R82 V83 | S80-R82 PolarHBondContact O-N 3.01Å; S80-R82 VanDerWaalsContact O-N 3.16Å; S80-V83 PolarHBondContact O-N 3.45Å | ||
| 81 | E | 72.9 | Confident | 89.1 | Confident | 194 Ų | 194 | 63.8 Ų | 63.8 | 91% | 0.907 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.5 | -177.5 | -67.9 | -179.2 | 172.7 | 0 | 0 | 113.6 | ||
| 82 | R | 73.7 | Confident | 89.1 | Confident | 220 Ų | 220 | 65.6 Ų | 65.6 | 83% | 0.83 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | 41.2 | 179.8 | -63.4 | -169.9 | -177 | -151.5 | 1 | 113 | S80 | S80-R82 PolarHBondContact O-N 3.01Å; S80-R82 VanDerWaalsContact O-N 3.16Å |
| 83 | V | 81.8 | Confident | 89.1 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | trans | -74.5 | 134.9 | 173.5 | 130.7 | 0 | 0 | 0 | 0 | 110.3 | S10 S80 K87 S88 | S10-V83 WeakPolarHBondContact CB-O 3.31Å; S80-V83 PolarHBondContact O-N 3.45Å; V83-K87 HydrophobicContact CG2-CD 4.38Å; V83-S88 WeakPolarHBondContact CG1-OG 3.36Å | ||
| 84 | S | 88.6 | Confident | 89.1 | Confident | 34 Ų | 34 | 62.9 Ų | 62.9 | 24% | 0.238 | 32% | 0.317 | C | S | . | . | trans | -70.3 | 146.2 | 173.8 | 172.1 | 0 | 0 | 0 | 0 | 111 | E5 Y86 K87 S88 | E5-S84 PolarHBondContact O-OG 2.96Å; S84-Y86 PolarHBondContact O-N 2.94Å; S84-Y86 PolarHBondContact OG-N 3.19Å; S84-K87 PolarHBondContact O-N 3.28Å; S84-S88 PolarHBondContact O-N 3.49Å; S84-S88 VanDerWaalsContact O-N 3.09Å; S84-S88 PolarHBondContact O-OG 3.41Å | ||
| 85 | L | 89.1 | Confident | 89.2 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 19% | 0.188 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.2 | -38 | 177.8 | -174.1 | 64.3 | 0 | 0 | 0 | 112.6 | E5 P7 Y9 F13 S88 F89 | E5-L85 PolarHBondContact O-N 3.45Å; P7-L85 HydrophobicContact CG-CD1 4.38Å; P7-L85 HydrophobicContact CG-CD2 4.42Å; Y9-L85 HydrophobicContact CD2-CD1 4.49Å; Y9-L85 HydrophobicContact CE2-CD1 3.92Å; F13-L85 HydrophobicContact CD2-CD1 4.02Å; F13-L85 HydrophobicContact CE2-CD1 3.97Å; L85-S88 PolarHBondContact O-N 3.34Å; L85-F89 HydrophobicContact CD1-CD2 4.29Å; L85-F89 HydrophobicContact CD1-CE2 3.71Å; L85-F89 HydrophobicContact CD1-CZ 3.9Å; L85-F89 HydrophobicContact CD2-CE2 3.9Å; L85-F89 HydrophobicContact CG-CD2 3.96Å; L85-F89 HydrophobicContact CG-CE2 3.53Å; L85-F89 HydrophobicContact CG-CZ 4.24Å; L85-F89 WeakPolarHBondContact O-CD2 3.29Å; L85-F89 PolarHBondContact O-N 3.35Å |
| 86 | Y | 89.4 | Confident | 89.4 | Confident | 144 Ų | 144 | 62.9 Ų | 62.9 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.4 | -47.3 | 176.8 | 174.5 | -105.2 | 0 | 0 | 0 | 111.9 | S84 S88 F89 L90 | S84-Y86 PolarHBondContact O-N 2.94Å; S84-Y86 PolarHBondContact OG-N 3.19Å; Y86-S88 VanDerWaalsContact C-N 3.31Å; Y86-S88 PolarHBondContact O-N 3.09Å; Y86-F89 PolarHBondContact O-N 3.48Å; Y86-L90 HydrophobicContact CD1-CD1 3.99Å; Y86-L90 HydrophobicContact CE1-CD1 3.4Å; Y86-L90 VanDerWaalsContact CE1-CD1 3.4Å; Y86-L90 HydrophobicContact CE1-CG 4.19Å; Y86-L90 HydrophobicContact CE2-CD1 4.43Å; Y86-L90 HydrophobicContact CE2-CG 4.43Å; Y86-L90 WeakPolarHBondContact O-CG 3.41Å; Y86-L90 PolarHBondContact O-N 2.97Å |
| 87 | K | 90.4 | Very high | 89.7 | Confident | 66 Ų | 66 | 61.8 Ų | 61.8 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 178.8 | -168.4 | 171.7 | -178.4 | -175.1 | 0 | 111.3 | N78 V83 S84 L90 H91 | N78-K87 PolarHBondContact OD1-NZ 3.1Å; V83-K87 HydrophobicContact CG2-CD 4.38Å; S84-K87 PolarHBondContact O-N 3.28Å; K87-L90 PolarHBondContact O-N 3.46Å; K87-H91 WeakPolarHBondContact CE-NE2 3.12Å; K87-H91 PolarHBondContact O-CD2 3.29Å; K87-H91 VanDerWaalsContact O-CD2 3.24Å; K87-H91 PolarHBondContact O-N 2.95Å |
| 88 | S | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 174.8 | -61.9 | 0 | 0 | 0 | 0 | 113.8 | S10 V83 S84 L85 Y86 L90 H91 L92 | S10-S88 VanDerWaalsContact C-OG 3.26Å; S10-S88 WeakPolarHBondContact O-CB 3.39Å; S10-S88 PolarHBondContact O-OG 3.29Å; V83-S88 WeakPolarHBondContact CG1-OG 3.36Å; S84-S88 PolarHBondContact O-N 3.49Å; S84-S88 VanDerWaalsContact O-N 3.09Å; S84-S88 PolarHBondContact O-OG 3.41Å; L85-S88 PolarHBondContact O-N 3.34Å; Y86-S88 VanDerWaalsContact C-N 3.31Å; Y86-S88 PolarHBondContact O-N 3.09Å; S88-L90 VanDerWaalsContact C-N 3.34Å; S88-H91 PolarHBondContact O-N 3.32Å; S88-L92 PolarHBondContact O-N 2.99Å |
| 89 | F | 93.3 | Very high | 90.5 | Very high | 98 Ų | 98 | 52.9 Ų | 52.9 | 43% | 0.43 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.6 | -34.4 | 175.1 | -74 | -45.2 | 0 | 0 | 0 | 112.3 | F13 L85 Y86 L92 G93 | F13-F89 HydrophobicContact CB-CD1 4.29Å; F13-F89 HydrophobicContact CB-CE1 4.45Å; F13-F89 HydrophobicContact CD1-CD1 4.27Å; F13-F89 AromaticContact CD1-CE1 3.76Å; F13-F89 HydrophobicContact CD1-CE1 3.76Å; F13-F89 HydrophobicContact CD2-CD1 4.28Å; F13-F89 AromaticContact CD2-CE1 3.71Å; F13-F89 HydrophobicContact CD2-CE1 3.71Å; F13-F89 HydrophobicContact CD2-CZ 4.16Å; F13-F89 AromaticContact CE1-CE1 3.78Å; F13-F89 HydrophobicContact CE1-CE1 3.78Å; F13-F89 AromaticContact CE2-CE1 3.72Å; F13-F89 HydrophobicContact CE2-CE1 3.72Å; F13-F89 AromaticContact CE2-CZ 3.86Å; F13-F89 HydrophobicContact CE2-CZ 3.86Å; F13-F89 HydrophobicContact CG-CD1 4.04Å; F13-F89 AromaticContact CG-CE1 3.71Å; F13-F89 HydrophobicContact CG-CE1 3.71Å; F13-F89 AromaticContact CZ-CE1 3.75Å; F13-F89 HydrophobicContact CZ-CE1 3.75Å; F13-F89 HydrophobicContact CZ-CZ 4.05Å; L85-F89 HydrophobicContact CD1-CD2 4.29Å; L85-F89 HydrophobicContact CD1-CE2 3.71Å; L85-F89 HydrophobicContact CD1-CZ 3.9Å; L85-F89 HydrophobicContact CD2-CE2 3.9Å; L85-F89 HydrophobicContact CG-CD2 3.96Å; L85-F89 HydrophobicContact CG-CE2 3.53Å; L85-F89 HydrophobicContact CG-CZ 4.24Å; L85-F89 WeakPolarHBondContact O-CD2 3.29Å; L85-F89 PolarHBondContact O-N 3.35Å; Y86-F89 PolarHBondContact O-N 3.48Å; F89-L92 HydrophobicContact CD1-CD2 4.45Å; F89-L92 PolarHBondContact O-N 3.44Å; F89-G93 PolarHBondContact O-N 2.98Å |
| 90 | L | 94.5 | Very high | 91.1 | Very high | 23 Ų | 23 | 54.4 Ų | 54.4 | 12% | 0.12 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 170.8 | -72 | 178.7 | 0 | 0 | 0 | 111.7 | Y86 K87 S88 G93 A94 L151 K154 | Y86-L90 HydrophobicContact CD1-CD1 3.99Å; Y86-L90 HydrophobicContact CE1-CD1 3.4Å; Y86-L90 VanDerWaalsContact CE1-CD1 3.4Å; Y86-L90 HydrophobicContact CE1-CG 4.19Å; Y86-L90 HydrophobicContact CE2-CD1 4.43Å; Y86-L90 HydrophobicContact CE2-CG 4.43Å; Y86-L90 WeakPolarHBondContact O-CG 3.41Å; Y86-L90 PolarHBondContact O-N 2.97Å; K87-L90 PolarHBondContact O-N 3.46Å; S88-L90 VanDerWaalsContact C-N 3.34Å; L90-G93 PolarHBondContact O-N 2.94Å; L90-A94 WeakPolarHBondContact O-CB 3.14Å; L90-A94 PolarHBondContact O-N 3.11Å; L90-L151 HydrophobicContact CD2-CD2 4.02Å; L90-K154 HydrophobicContact CD1-CB 3.97Å; L90-K154 WeakPolarHBondContact CD1-OXT 3.46Å |
| 91 | H | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 175.5 | -71.4 | -41.1 | 0 | 0 | 0 | 112.8 | A14 I75 K87 S88 A94 G95 | A14-H91 HydrophobicContact CB-CB 4.02Å; I75-H91 HydrophobicContact CD1-CB 4.42Å; I75-H91 WeakPolarHBondContact CD1-O 3.45Å; I75-H91 HydrophobicContact CG1-CB 4.29Å; I75-H91 HydrophobicContact CG2-CB 3.89Å; K87-H91 WeakPolarHBondContact CE-NE2 3.12Å; K87-H91 PolarHBondContact O-CD2 3.29Å; K87-H91 VanDerWaalsContact O-CD2 3.24Å; K87-H91 PolarHBondContact O-N 2.95Å; S88-H91 PolarHBondContact O-N 3.32Å; H91-A94 PolarHBondContact O-N 3.22Å; H91-G95 PolarHBondContact O-N 3.39Å |
| 92 | L | 95.6 | Very high | 93.1 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 20% | 0.204 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 172.8 | -176.5 | 62.7 | 0 | 0 | 0 | 111.7 | F13 M16 S88 F89 G95 L96 | F13-L92 HydrophobicContact CB-CB 4.42Å; F13-L92 HydrophobicContact CB-CD2 4.38Å; F13-L92 HydrophobicContact CD1-CD2 3.98Å; M16-L92 HydrophobicContact CB-CD1 3.98Å; S88-L92 PolarHBondContact O-N 2.99Å; F89-L92 HydrophobicContact CD1-CD2 4.45Å; F89-L92 PolarHBondContact O-N 3.44Å; L92-G95 PolarHBondContact O-N 2.94Å; L92-L96 HydrophobicContact CD1-CD1 4.18Å; L92-L96 HydrophobicContact CD1-CG 4.46Å; L92-L96 HydrophobicContact CG-CD1 4.06Å; L92-L96 WeakPolarHBondContact O-CG 3.48Å; L92-L96 PolarHBondContact O-N 3.31Å |
| 93 | G | 96.1 | Very high | 94.2 | Very high | 29 Ų | 29 | 34.7 Ų | 34.7 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F89 L90 G95 L96 S97 | F89-G93 PolarHBondContact O-N 2.98Å; L90-G93 PolarHBondContact O-N 2.94Å; G93-G95 PolarHBondContact O-N 3.17Å; G93-L96 PolarHBondContact O-N 2.89Å; G93-S97 VanDerWaalsContact O-CB 3.28Å; G93-S97 WeakPolarHBondContact O-CB 3.46Å; G93-S97 PolarHBondContact O-N 3.07Å |
| 94 | A | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -46.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L90 H91 S97 V98 A148 L151 | L90-A94 WeakPolarHBondContact O-CB 3.14Å; L90-A94 PolarHBondContact O-N 3.11Å; H91-A94 PolarHBondContact O-N 3.22Å; A94-S97 PolarHBondContact O-N 3.22Å; A94-V98 PolarHBondContact O-N 2.92Å; A94-A148 HydrophobicContact CB-CB 4.15Å; A94-A148 WeakPolarHBondContact O-CB 3.27Å; A94-L151 HydrophobicContact CB-CB 3.91Å; A94-L151 HydrophobicContact CB-CD1 4.46Å |
| 95 | G | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.1 | -42.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G17 A21 H91 L92 G93 V98 G99 | G17-G95 WeakPolarHBondContact O-CA 3.26Å; A21-G95 WeakPolarHBondContact CA-O 3.49Å; H91-G95 PolarHBondContact O-N 3.39Å; L92-G95 PolarHBondContact O-N 2.94Å; G93-G95 PolarHBondContact O-N 3.17Å; G95-V98 WeakPolarHBondContact O-CG1 3.43Å; G95-G99 PolarHBondContact O-N 3.35Å |
| 96 | L | 97.6 | Very high | 95.8 | Very high | 63 Ų | 63 | 33.6 Ų | 33.6 | 33% | 0.33 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.9 | -37.9 | 176.5 | -72.6 | 170 | 0 | 0 | 0 | 112.5 | A20 F24 L92 G93 G99 L100 | A20-L96 HydrophobicContact CB-CD2 3.89Å; A20-L96 HydrophobicContact CB-CG 4.36Å; F24-L96 HydrophobicContact CE2-CD2 4.09Å; L92-L96 HydrophobicContact CD1-CD1 4.18Å; L92-L96 HydrophobicContact CD1-CG 4.46Å; L92-L96 HydrophobicContact CG-CD1 4.06Å; L92-L96 WeakPolarHBondContact O-CG 3.48Å; L92-L96 PolarHBondContact O-N 3.31Å; G93-L96 PolarHBondContact O-N 2.89Å; L96-G99 PolarHBondContact O-N 3.17Å; L96-L100 HydrophobicContact CD2-CD1 4.47Å; L96-L100 WeakPolarHBondContact O-CB 3.44Å; L96-L100 WeakPolarHBondContact O-CG 3.43Å; L96-L100 PolarHBondContact O-N 3.47Å |
| 97 | S | 97.1 | Very high | 96.2 | Very high | 33 Ų | 33 | 30.9 Ų | 30.9 | 23% | 0.231 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.4 | -54.6 | 177.5 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | G93 A94 S101 G144 V147 | G93-S97 VanDerWaalsContact O-CB 3.28Å; G93-S97 WeakPolarHBondContact O-CB 3.46Å; G93-S97 PolarHBondContact O-N 3.07Å; A94-S97 PolarHBondContact O-N 3.22Å; S97-S101 VanDerWaalsContact O-CB 3.25Å; S97-S101 WeakPolarHBondContact O-CB 3.23Å; S97-S101 PolarHBondContact O-N 2.9Å; S97-S101 PolarHBondContact O-OG 3.39Å; S97-G144 PolarHBondContact OG-O 3.45Å; S97-V147 WeakPolarHBondContact OG-CB 3.45Å; S97-V147 WeakPolarHBondContact OG-CG1 3.25Å |
| 98 | V | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.7 | -36.1 | 179.6 | 68.6 | 0 | 0 | 0 | 0 | 112.4 | A21 V71 A94 G95 S101 G102 L145 A148 | A21-V98 HydrophobicContact CB-CG1 3.79Å; V71-V98 HydrophobicContact CB-CG1 3.92Å; V71-V98 HydrophobicContact CG1-CG1 3.9Å; V71-V98 HydrophobicContact CG2-CB 4.27Å; V71-V98 HydrophobicContact CG2-CG1 3.98Å; V71-V98 HydrophobicContact CG2-CG2 4.23Å; A94-V98 PolarHBondContact O-N 2.92Å; G95-V98 WeakPolarHBondContact O-CG1 3.43Å; V98-S101 PolarHBondContact O-OG 3.18Å; V98-G102 PolarHBondContact O-N 3.47Å; V98-L145 HydrophobicContact CG2-CB 4.34Å; V98-L145 HydrophobicContact CG2-CD1 4.49Å; V98-A148 HydrophobicContact CB-CB 4.01Å; V98-A148 HydrophobicContact CG1-CB 4.35Å |
| 99 | G | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.6 | -54.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F24 G95 L96 G102 L103 | F24-G99 CarbonylContact C-O 3.37Å; F24-G99 VanDerWaalsContact CB-O 3.23Å; F24-G99 WeakPolarHBondContact CB-O 3.22Å; G95-G99 PolarHBondContact O-N 3.35Å; L96-G99 PolarHBondContact O-N 3.17Å; G99-G102 PolarHBondContact O-N 2.92Å; G99-L103 PolarHBondContact O-N 2.83Å |
| 100 | L | 97.9 | Very high | 97 | Very high | 88 Ų | 88 | 24.7 Ų | 24.7 | 46% | 0.461 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -72.3 | -34.7 | -176.7 | -64.2 | 176.3 | 0 | 0 | 0 | 112.5 | F24 L96 L103 A104 | F24-L100 HydrophobicContact CD1-CD2 4.13Å; F24-L100 HydrophobicContact CD2-CD2 4.03Å; F24-L100 HydrophobicContact CD2-CG 4.48Å; F24-L100 HydrophobicContact CE1-CD2 4.24Å; F24-L100 HydrophobicContact CE2-CD2 4.16Å; F24-L100 HydrophobicContact CG-CD2 4.03Å; F24-L100 HydrophobicContact CZ-CD2 4.26Å; L96-L100 HydrophobicContact CD2-CD1 4.47Å; L96-L100 WeakPolarHBondContact O-CB 3.44Å; L96-L100 WeakPolarHBondContact O-CG 3.43Å; L96-L100 PolarHBondContact O-N 3.47Å; L100-L103 PolarHBondContact O-N 3.15Å; L100-A104 PolarHBondContact O-N 3.28Å; L100-A104 VanDerWaalsContact O-N 3.08Å |
| 101 | S | 97.5 | Very high | 97.2 | Very high | 25 Ų | 25 | 28 Ų | 28 | 18% | 0.175 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 172.1 | 73.6 | 0 | 0 | 0 | 0 | 111.2 | S97 V98 L103 A104 A105 G144 | S97-S101 VanDerWaalsContact O-CB 3.25Å; S97-S101 WeakPolarHBondContact O-CB 3.23Å; S97-S101 PolarHBondContact O-N 2.9Å; S97-S101 PolarHBondContact O-OG 3.39Å; V98-S101 PolarHBondContact O-OG 3.18Å; S101-L103 VanDerWaalsContact C-N 3.35Å; S101-A104 PolarHBondContact O-N 3.03Å; S101-A105 WeakPolarHBondContact O-CB 3.42Å; S101-A105 PolarHBondContact O-N 3.4Å; S101-G144 WeakPolarHBondContact OG-CA 3.38Å |
| 102 | G | 97.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.1 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | I64 V98 G99 A105 G106 | I64-G102 VanDerWaalsContact CG2-CA 3.43Å; I64-G102 WeakPolarHBondContact CG2-O 3.38Å; V98-G102 PolarHBondContact O-N 3.47Å; G99-G102 PolarHBondContact O-N 2.92Å; G102-A105 PolarHBondContact O-N 3.2Å; G102-G106 PolarHBondContact O-N 2.94Å |
| 103 | L | 97.6 | Very high | 97.3 | Very high | 39 Ų | 39 | 28 Ų | 28 | 20% | 0.204 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.5 | -52.3 | 172.7 | -175.8 | 63 | 0 | 0 | 0 | 111.1 | F24 L27 G99 L100 S101 A105 G106 F107 | F24-L103 HydrophobicContact CB-CB 4.49Å; F24-L103 HydrophobicContact CD1-CD2 4.25Å; L27-L103 HydrophobicContact CB-CD1 3.82Å; G99-L103 PolarHBondContact O-N 2.83Å; L100-L103 PolarHBondContact O-N 3.15Å; S101-L103 VanDerWaalsContact C-N 3.35Å; L103-A105 PolarHBondContact O-N 3.5Å; L103-G106 PolarHBondContact O-N 3.3Å; L103-F107 HydrophobicContact CD1-CD2 4.02Å; L103-F107 HydrophobicContact CD1-CE2 3.61Å; L103-F107 HydrophobicContact CD2-CE2 4.5Å; L103-F107 HydrophobicContact CG-CD2 4.02Å; L103-F107 HydrophobicContact CG-CE2 3.86Å; L103-F107 VanDerWaalsContact O-CD2 3.26Å; L103-F107 WeakPolarHBondContact O-CD2 3.42Å; L103-F107 PolarHBondContact O-N 3.45Å |
| 104 | A | 97.7 | Very high | 97.3 | Very high | 55 Ų | 55 | 27.6 Ų | 27.6 | 46% | 0.455 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L100 S101 G106 F107 A108 | L100-A104 PolarHBondContact O-N 3.28Å; L100-A104 VanDerWaalsContact O-N 3.08Å; S101-A104 PolarHBondContact O-N 3.03Å; A104-G106 PolarHBondContact O-N 3.34Å; A104-F107 PolarHBondContact O-N 3.48Å; A104-A108 PolarHBondContact O-N 2.89Å; A104-A108 VanDerWaalsContact O-N 3.09Å |
| 105 | A | 97.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I64 S101 G102 L103 F107 A108 I109 L140 | I64-A105 HydrophobicContact CD1-CB 3.63Å; I64-A105 HydrophobicContact CG1-CB 4.48Å; S101-A105 WeakPolarHBondContact O-CB 3.42Å; S101-A105 PolarHBondContact O-N 3.4Å; G102-A105 PolarHBondContact O-N 3.2Å; L103-A105 PolarHBondContact O-N 3.5Å; A105-F107 VanDerWaalsContact C-N 3.34Å; A105-F107 PolarHBondContact O-N 3.39Å; A105-A108 PolarHBondContact O-N 3.43Å; A105-I109 WeakPolarHBondContact O-CB 3.25Å; A105-I109 VanDerWaalsContact O-CG1 3.32Å; A105-I109 WeakPolarHBondContact O-CG1 3.48Å; A105-I109 PolarHBondContact O-N 2.91Å; A105-L140 HydrophobicContact CB-CB 4.12Å |
| 106 | G | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G28 G32 G102 L103 A104 G110 | G28-G106 WeakPolarHBondContact O-CA 3.44Å; G32-G106 WeakPolarHBondContact CA-O 3.3Å; G102-G106 PolarHBondContact O-N 2.94Å; L103-G106 PolarHBondContact O-N 3.3Å; A104-G106 PolarHBondContact O-N 3.34Å; G106-G110 PolarHBondContact O-N 3.22Å |
| 107 | F | 97.8 | Very high | 97.1 | Very high | 87 Ų | 87 | 28 Ų | 28 | 38% | 0.382 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.2 | -48.3 | 172 | -89.3 | -76.3 | 0 | 0 | 0 | 112.4 | Y31 L103 A104 A105 G110 I111 | Y31-F107 HydrophobicContact CD1-CB 4.39Å; Y31-F107 AromaticContact CD1-CD1 3.46Å; Y31-F107 HydrophobicContact CD1-CD1 3.46Å; Y31-F107 VanDerWaalsContact CD1-CD1 3.46Å; Y31-F107 AromaticContact CD1-CE1 3.8Å; Y31-F107 HydrophobicContact CD1-CE1 3.8Å; Y31-F107 AromaticContact CD1-CG 3.95Å; Y31-F107 HydrophobicContact CD1-CG 3.95Å; Y31-F107 HydrophobicContact CD2-CD1 4.2Å; Y31-F107 AromaticContact CD2-CE1 3.65Å; Y31-F107 HydrophobicContact CD2-CE1 3.65Å; Y31-F107 HydrophobicContact CD2-CZ 4.19Å; Y31-F107 HydrophobicContact CE1-CB 4.33Å; Y31-F107 AromaticContact CE1-CD1 3.19Å; Y31-F107 HydrophobicContact CE1-CD1 3.19Å; Y31-F107 AromaticContact CE1-CE1 3.66Å; Y31-F107 HydrophobicContact CE1-CE1 3.66Å; Y31-F107 AromaticContact CE1-CG 4Å; Y31-F107 HydrophobicContact CE1-CG 4Å; Y31-F107 AromaticContact CE2-CD1 3.98Å; Y31-F107 HydrophobicContact CE2-CD1 3.98Å; Y31-F107 AromaticContact CE2-CE1 3.52Å; Y31-F107 HydrophobicContact CE2-CE1 3.52Å; Y31-F107 HydrophobicContact CE2-CZ 4.44Å; Y31-F107 AromaticContact CG-CD1 3.95Å; Y31-F107 HydrophobicContact CG-CD1 3.95Å; Y31-F107 AromaticContact CG-CE1 3.78Å; Y31-F107 HydrophobicContact CG-CE1 3.78Å; Y31-F107 HydrophobicContact CG-CZ 4.23Å; Y31-F107 AromaticContact CZ-CD1 3.45Å; Y31-F107 VanDerWaalsContact CZ-CD1 3.45Å; Y31-F107 AromaticContact CZ-CE1 3.5Å; L103-F107 HydrophobicContact CD1-CD2 4.02Å; L103-F107 HydrophobicContact CD1-CE2 3.61Å; L103-F107 HydrophobicContact CD2-CE2 4.5Å; L103-F107 HydrophobicContact CG-CD2 4.02Å; L103-F107 HydrophobicContact CG-CE2 3.86Å; L103-F107 VanDerWaalsContact O-CD2 3.26Å; L103-F107 WeakPolarHBondContact O-CD2 3.42Å; L103-F107 PolarHBondContact O-N 3.45Å; A104-F107 PolarHBondContact O-N 3.48Å; A105-F107 VanDerWaalsContact C-N 3.34Å; A105-F107 PolarHBondContact O-N 3.39Å; F107-G110 PolarHBondContact O-N 2.84Å; F107-I111 WeakPolarHBondContact O-CG1 3.26Å; F107-I111 PolarHBondContact O-N 3.05Å |
| 108 | A | 97.6 | Very high | 97 | Very high | 33 Ų | 33 | 32 Ų | 32 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.5 | -49.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A104 A105 G110 I111 V112 A137 | A104-A108 PolarHBondContact O-N 2.89Å; A104-A108 VanDerWaalsContact O-N 3.09Å; A105-A108 PolarHBondContact O-N 3.43Å; A108-G110 VanDerWaalsContact C-N 3.34Å; A108-G110 PolarHBondContact O-N 3.28Å; A108-I111 PolarHBondContact O-N 2.96Å; A108-V112 WeakPolarHBondContact O-CB 3.34Å; A108-V112 VanDerWaalsContact O-CG2 3.27Å; A108-V112 WeakPolarHBondContact O-CG2 3.3Å; A108-V112 PolarHBondContact O-N 3.45Å; A108-A137 HydrophobicContact CB-CB 3.97Å |
| 109 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -43.8 | 177.9 | -70.1 | 173.9 | 0 | 0 | 0 | 111.2 | P57 M60 A61 I64 A105 G113 L134 A137 E138 | P57-I109 HydrophobicContact CB-CG2 4.47Å; P57-I109 WeakPolarHBondContact O-CG2 3.43Å; M60-I109 HydrophobicContact CB-CD1 4.22Å; A61-I109 HydrophobicContact CB-CG2 4.1Å; I64-I109 HydrophobicContact CD1-CD1 3.64Å; A105-I109 WeakPolarHBondContact O-CB 3.25Å; A105-I109 VanDerWaalsContact O-CG1 3.32Å; A105-I109 WeakPolarHBondContact O-CG1 3.48Å; A105-I109 PolarHBondContact O-N 2.91Å; I109-G113 WeakPolarHBondContact O-CA 3.49Å; I109-G113 PolarHBondContact O-N 2.99Å; I109-L134 HydrophobicContact CB-CD2 4.28Å; I109-L134 HydrophobicContact CG1-CD2 4.28Å; I109-L134 HydrophobicContact CG2-CD2 4.05Å; I109-A137 HydrophobicContact CG1-CB 3.91Å; I109-E138 HydrophobicContact CD1-CB 4.28Å |
| 110 | G | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.6 | -45.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K35 G106 F107 A108 D114 | K35-G110 WeakPolarHBondContact CB-O 3.21Å; G106-G110 PolarHBondContact O-N 3.22Å; F107-G110 PolarHBondContact O-N 2.84Å; A108-G110 VanDerWaalsContact C-N 3.34Å; A108-G110 PolarHBondContact O-N 3.28Å; G110-D114 WeakPolarHBondContact O-CB 3.31Å; G110-D114 PolarHBondContact O-N 3.22Å |
| 111 | I | 97.8 | Very high | 96.3 | Very high | 92 Ų | 92 | 29.9 Ų | 29.9 | 47% | 0.472 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -72 | -46.4 | -178.4 | -63.5 | 169.2 | 0 | 0 | 0 | 110.5 | Y31 F107 A108 G113 D114 A115 | Y31-I111 HydrophobicContact CE1-CG1 4.26Å; F107-I111 WeakPolarHBondContact O-CG1 3.26Å; F107-I111 PolarHBondContact O-N 3.05Å; A108-I111 PolarHBondContact O-N 2.96Å; I111-G113 VanDerWaalsContact C-N 3.29Å; I111-G113 PolarHBondContact O-N 3.2Å; I111-D114 PolarHBondContact O-N 3.13Å; I111-A115 PolarHBondContact O-N 3.34Å; I111-A115 VanDerWaalsContact O-N 3.11Å |
| 112 | V | 97.3 | Very high | 96.1 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 24% | 0.236 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | A108 G116 I133 L134 | A108-V112 WeakPolarHBondContact O-CB 3.34Å; A108-V112 VanDerWaalsContact O-CG2 3.27Å; A108-V112 WeakPolarHBondContact O-CG2 3.3Å; A108-V112 PolarHBondContact O-N 3.45Å; V112-G116 WeakPolarHBondContact O-CA 3.48Å; V112-G116 PolarHBondContact O-N 3.5Å; V112-I133 HydrophobicContact CB-CG2 4.45Å; V112-I133 HydrophobicContact CG1-CB 4.11Å; V112-I133 HydrophobicContact CG1-CG2 3.65Å; V112-I133 HydrophobicContact CG2-CG2 3.96Å; V112-L134 HydrophobicContact CB-CD2 4.06Å; V112-L134 HydrophobicContact CG1-CD2 3.8Å; V112-L134 HydrophobicContact CG1-CG 4.06Å |
| 113 | G | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.8 | -53.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I109 I111 A115 G116 V117 | I109-G113 WeakPolarHBondContact O-CA 3.49Å; I109-G113 PolarHBondContact O-N 2.99Å; I111-G113 VanDerWaalsContact C-N 3.29Å; I111-G113 PolarHBondContact O-N 3.2Å; G113-A115 PolarHBondContact O-N 2.9Å; G113-G116 PolarHBondContact O-N 3.34Å; G113-V117 WeakPolarHBondContact O-CG1 3.43Å; G113-V117 VanDerWaalsContact O-CG2 3.24Å; G113-V117 WeakPolarHBondContact O-CG2 3.4Å; G113-V117 PolarHBondContact O-N 2.99Å |
| 114 | D | 96.4 | Very high | 95.6 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.6 | -47.9 | 178.9 | -175.7 | 29.1 | 0 | 0 | 0 | 112.2 | K35 G39 G110 I111 V117 R118 | K35-D114 IonicContact NZ-OD2 3.22Å; K35-D114 PolarHBondContact NZ-OD2 2.78Å; G39-D114 WeakPolarHBondContact CA-OD1 3.38Å; G39-D114 PolarHBondContact N-OD1 3.35Å; G110-D114 WeakPolarHBondContact O-CB 3.31Å; G110-D114 PolarHBondContact O-N 3.22Å; I111-D114 PolarHBondContact O-N 3.13Å; D114-V117 WeakPolarHBondContact O-CG2 3.48Å; D114-R118 WeakPolarHBondContact O-CD 3.28Å; D114-R118 VanDerWaalsContact O-CG 3.25Å; D114-R118 WeakPolarHBondContact O-CG 3.3Å; D114-R118 PolarHBondContact O-N 3.38Å; D114-R118 IonicContact OD1-CZ 3.49Å; D114-R118 IonicContact OD1-NE 2.8Å; D114-R118 PolarHBondContact OD1-NE 2.95Å; D114-R118 IonicContact OD1-NH2 3.27Å; D114-R118 PolarHBondContact OD1-NH2 3.31Å |
| 115 | A | 96.1 | Very high | 95.4 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 52% | 0.521 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.9 | -41.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I111 G113 G119 | I111-A115 PolarHBondContact O-N 3.34Å; I111-A115 VanDerWaalsContact O-N 3.11Å; G113-A115 PolarHBondContact O-N 2.9Å; A115-G119 PolarHBondContact O-N 3.33Å |
| 116 | G | 95.2 | Very high | 95.2 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.1 | -42.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V112 G113 G119 T120 M130 | V112-G116 WeakPolarHBondContact O-CA 3.48Å; V112-G116 PolarHBondContact O-N 3.5Å; G113-G116 PolarHBondContact O-N 3.34Å; G116-G119 PolarHBondContact O-N 3.49Å; G116-T120 VanDerWaalsContact O-CB 3.29Å; G116-T120 WeakPolarHBondContact O-CB 3.34Å; G116-T120 PolarHBondContact O-N 3.17Å; G116-T120 PolarHBondContact O-OG1 2.98Å; G116-M130 VanDerWaalsContact CA-SD 3.58Å |
| 117 | V | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 178 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | I40 P57 G113 D114 T120 A121 M130 | I40-V117 HydrophobicContact CG1-CG1 4.14Å; I40-V117 HydrophobicContact CG1-CG2 4.39Å; P57-V117 HydrophobicContact CG-CG1 4.25Å; G113-V117 WeakPolarHBondContact O-CG1 3.43Å; G113-V117 VanDerWaalsContact O-CG2 3.24Å; G113-V117 WeakPolarHBondContact O-CG2 3.4Å; G113-V117 PolarHBondContact O-N 2.99Å; D114-V117 WeakPolarHBondContact O-CG2 3.48Å; V117-T120 PolarHBondContact O-N 2.96Å; V117-A121 PolarHBondContact O-N 2.82Å; V117-A121 VanDerWaalsContact O-N 3.15Å; V117-M130 HydrophobicContact CG1-SD 4.17Å |
| 118 | R | 94 | Very high | 94.8 | Very high | 116 Ų | 116 | 56.9 Ų | 56.9 | 44% | 0.438 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 174.4 | -68.4 | 172.4 | -172.3 | -102.1 | 0.1 | 111.9 | D114 A121 | D114-R118 WeakPolarHBondContact O-CD 3.28Å; D114-R118 VanDerWaalsContact O-CG 3.25Å; D114-R118 WeakPolarHBondContact O-CG 3.3Å; D114-R118 PolarHBondContact O-N 3.38Å; D114-R118 IonicContact OD1-CZ 3.49Å; D114-R118 IonicContact OD1-NE 2.8Å; D114-R118 PolarHBondContact OD1-NE 2.95Å; D114-R118 IonicContact OD1-NH2 3.27Å; D114-R118 PolarHBondContact OD1-NH2 3.31Å; R118-A121 VanDerWaalsContact O-CB 3.25Å; R118-A121 WeakPolarHBondContact O-CB 3.34Å; R118-A121 PolarHBondContact O-N 3.45Å |
| 119 | G | 93.5 | Very high | 94.7 | Very high | 19 Ų | 19 | 56.9 Ų | 56.9 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A115 G116 A121 Q122 Q123 | A115-G119 PolarHBondContact O-N 3.33Å; G116-G119 PolarHBondContact O-N 3.49Å; G119-A121 PolarHBondContact O-N 3.4Å; G119-Q122 PolarHBondContact O-N 3.26Å; G119-Q122 VanDerWaalsContact O-N 3.1Å; G119-Q123 PolarHBondContact O-N 3.42Å |
| 120 | T | 93.1 | Very high | 94.6 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.9 | -31.2 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 112 | G116 V117 Q122 Q123 F127 | G116-T120 VanDerWaalsContact O-CB 3.29Å; G116-T120 WeakPolarHBondContact O-CB 3.34Å; G116-T120 PolarHBondContact O-N 3.17Å; G116-T120 PolarHBondContact O-OG1 2.98Å; V117-T120 PolarHBondContact O-N 2.96Å; T120-Q122 VanDerWaalsContact C-N 3.26Å; T120-Q122 PolarHBondContact O-N 3.46Å; T120-Q123 CarbonylContact O-C 3.55Å; T120-F127 HydrophobicContact CG2-CB 3.82Å; T120-F127 HydrophobicContact CG2-CD2 4.08Å; T120-F127 HydrophobicContact CG2-CG 4.38Å |
| 121 | A | 91.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 59 Ų | 59 | 17% | 0.165 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.8 | -35.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | M43 R47 V117 R118 G119 | M43-A121 HydrophobicContact CB-CB 4.49Å; M43-A121 HydrophobicContact CG-CB 3.44Å; M43-A121 VanDerWaalsContact CG-CB 3.44Å; R47-A121 VanDerWaalsContact CZ-O 3.31Å; R47-A121 PolarHBondContact NE-O 2.9Å; V117-A121 PolarHBondContact O-N 2.82Å; V117-A121 VanDerWaalsContact O-N 3.15Å; R118-A121 VanDerWaalsContact O-CB 3.25Å; R118-A121 WeakPolarHBondContact O-CB 3.34Å; R118-A121 PolarHBondContact O-N 3.45Å; G119-A121 PolarHBondContact O-N 3.4Å |
| 122 | Q | 92.7 | Very high | 94.5 | Very high | 170 Ų | 170 | 59.2 Ų | 59.2 | 79% | 0.794 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -83.6 | -45.3 | 178 | -63.5 | -171.8 | -19.7 | 0 | 0 | 111.9 | G119 T120 | G119-Q122 PolarHBondContact O-N 3.26Å; G119-Q122 VanDerWaalsContact O-N 3.1Å; T120-Q122 VanDerWaalsContact C-N 3.26Å; T120-Q122 PolarHBondContact O-N 3.46Å |
| 123 | Q | 94.4 | Very high | 94.5 | Very high | 101 Ų | 101 | 61.8 Ų | 61.8 | 47% | 0.472 | 33% | 0.325 | S | S | . | . | trans | -130.7 | 100.3 | -179.2 | 178.3 | 55.3 | -81.3 | 0 | 0 | 110.7 | G119 T120 R125 L126 | G119-Q123 PolarHBondContact O-N 3.42Å; T120-Q123 CarbonylContact O-C 3.55Å; Q123-R125 HydrophobicContact CG-CB 4.23Å; Q123-R125 PolarHBondContact O-N 2.91Å; Q123-L126 VanDerWaalsContact O-CB 3.28Å; Q123-L126 WeakPolarHBondContact O-CB 3.28Å; Q123-L126 PolarHBondContact O-N 3.1Å | ||
| 124 | P | 91 | Very high | 94.5 | Very high | 67 Ų | 67 | 61.8 Ų | 61.8 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.8 | -177.8 | -27.9 | 35.8 | 0 | 0 | 0 | 114.8 | L126 F127 | P124-L126 PolarHBondContact O-N 3.33Å; P124-F127 VanDerWaalsContact O-CB 3.26Å; P124-F127 WeakPolarHBondContact O-CB 3.32Å; P124-F127 PolarHBondContact O-N 3Å |
| 125 | R | 92.6 | Very high | 94.5 | Very high | 214 Ų | 214 | 64.2 Ų | 64.2 | 81% | 0.808 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.9 | 176.4 | -65.7 | -178.1 | 177.9 | 177.9 | -0.2 | 113.3 | Q123 F127 | Q123-R125 HydrophobicContact CG-CB 4.23Å; Q123-R125 PolarHBondContact O-N 2.91Å; R125-F127 PolarHBondContact O-N 3.2Å |
| 126 | L | 93.4 | Very high | 94.6 | Very high | 85 Ų | 85 | 68.6 Ų | 68.6 | 45% | 0.445 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.3 | -21.6 | 177.1 | -162.9 | 80.1 | 0 | 0 | 0 | 112.4 | Q123 P124 V128 G129 M130 | Q123-L126 VanDerWaalsContact O-CB 3.28Å; Q123-L126 WeakPolarHBondContact O-CB 3.28Å; Q123-L126 PolarHBondContact O-N 3.1Å; P124-L126 PolarHBondContact O-N 3.33Å; L126-V128 VanDerWaalsContact C-N 3.31Å; L126-V128 PolarHBondContact O-N 3.37Å; L126-G129 WeakPolarHBondContact O-CA 3.19Å; L126-G129 PolarHBondContact O-N 3.15Å; L126-M130 PolarHBondContact O-N 3.19Å |
| 127 | F | 92.9 | Very high | 94.6 | Very high | 43 Ų | 43 | 68.7 Ų | 68.7 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -53.9 | -45.1 | -174.9 | -177.9 | -112.6 | 0 | 0 | 0 | 113.3 | K53 I56 T120 P124 R125 M130 I131 | K53-F127 HydrophobicContact CB-CE2 3.96Å; K53-F127 HydrophobicContact CB-CZ 3.96Å; K53-F127 VanDerWaalsContact O-CE2 3.28Å; K53-F127 WeakPolarHBondContact O-CE2 3.48Å; I56-F127 HydrophobicContact CD1-CE2 4.21Å; I56-F127 HydrophobicContact CD1-CZ 3.62Å; T120-F127 HydrophobicContact CG2-CB 3.82Å; T120-F127 HydrophobicContact CG2-CD2 4.08Å; T120-F127 HydrophobicContact CG2-CG 4.38Å; P124-F127 VanDerWaalsContact O-CB 3.26Å; P124-F127 WeakPolarHBondContact O-CB 3.32Å; P124-F127 PolarHBondContact O-N 3Å; R125-F127 PolarHBondContact O-N 3.2Å; F127-M130 HydrophobicContact CD2-CE 3.74Å; F127-M130 HydrophobicContact CE2-CE 3.85Å; F127-M130 PolarHBondContact O-N 3.32Å; F127-I131 HydrophobicContact CD1-CD1 3.94Å; F127-I131 HydrophobicContact CE1-CD1 3.47Å; F127-I131 VanDerWaalsContact CE1-CD1 3.47Å; F127-I131 HydrophobicContact CE2-CD1 4.21Å; F127-I131 HydrophobicContact CZ-CD1 3.65Å; F127-I131 HydrophobicContact CZ-CG1 4.48Å; F127-I131 WeakPolarHBondContact O-CG1 3.35Å; F127-I131 PolarHBondContact O-N 3.15Å; F127-I131 VanDerWaalsContact O-N 3.1Å |
| 128 | V | 95.1 | Very high | 94.7 | Very high | 96 Ų | 96 | 70.2 Ų | 70.2 | 58% | 0.582 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.4 | -41 | 179.5 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | L126 I131 L132 | L126-V128 VanDerWaalsContact C-N 3.31Å; L126-V128 PolarHBondContact O-N 3.37Å; V128-I131 PolarHBondContact O-N 3.49Å; V128-L132 WeakPolarHBondContact O-CG 3.35Å; V128-L132 PolarHBondContact O-N 3.43Å; V128-L132 VanDerWaalsContact O-N 3.12Å |
| 129 | G | 95.5 | Very high | 94.8 | Very high | 32 Ų | 32 | 66.2 Ų | 66.2 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L126 I131 L132 I133 | L126-G129 WeakPolarHBondContact O-CA 3.19Å; L126-G129 PolarHBondContact O-N 3.15Å; G129-I131 PolarHBondContact O-N 2.62Å; G129-L132 PolarHBondContact O-N 3.43Å; G129-I133 WeakPolarHBondContact O-CG1 3.29Å; G129-I133 PolarHBondContact O-N 3.01Å; G129-I133 VanDerWaalsContact O-N 3.14Å |
| 130 | M | 95.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 69.1 Ų | 69.1 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 174.5 | 178.7 | -167.3 | 72.1 | 0 | 0 | 111.4 | P57 G116 V117 L126 F127 L132 I133 L134 | P57-M130 HydrophobicContact CG-CE 4.4Å; P57-M130 HydrophobicContact CG-SD 4.49Å; G116-M130 VanDerWaalsContact CA-SD 3.58Å; V117-M130 HydrophobicContact CG1-SD 4.17Å; L126-M130 PolarHBondContact O-N 3.19Å; F127-M130 HydrophobicContact CD2-CE 3.74Å; F127-M130 HydrophobicContact CE2-CE 3.85Å; F127-M130 PolarHBondContact O-N 3.32Å; M130-L132 VanDerWaalsContact C-N 3.34Å; M130-L132 PolarHBondContact O-N 2.89Å; M130-I133 PolarHBondContact O-N 3.41Å; M130-L134 HydrophobicContact CE-CD1 4.39Å; M130-L134 HydrophobicContact CG-CD1 3.92Å; M130-L134 HydrophobicContact CG-CG 4.46Å; M130-L134 VanDerWaalsContact O-CG 3.31Å; M130-L134 WeakPolarHBondContact O-CG 3.04Å; M130-L134 PolarHBondContact O-N 3.41Å; M130-L134 HydrophobicContact SD-CD1 4.48Å |
| 131 | I | 96.2 | Very high | 95 | Very high | 40 Ų | 40 | 68.8 Ų | 68.8 | 21% | 0.205 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60 | -45 | 178.5 | -69.6 | 169.8 | 0 | 0 | 0 | 111.1 | I56 F127 V128 G129 I133 L134 I135 | I56-I131 HydrophobicContact CD1-CD1 3.93Å; I56-I131 HydrophobicContact CD1-CG1 4.38Å; F127-I131 HydrophobicContact CD1-CD1 3.94Å; F127-I131 HydrophobicContact CE1-CD1 3.47Å; F127-I131 VanDerWaalsContact CE1-CD1 3.47Å; F127-I131 HydrophobicContact CE2-CD1 4.21Å; F127-I131 HydrophobicContact CZ-CD1 3.65Å; F127-I131 HydrophobicContact CZ-CG1 4.48Å; F127-I131 WeakPolarHBondContact O-CG1 3.35Å; F127-I131 PolarHBondContact O-N 3.15Å; F127-I131 VanDerWaalsContact O-N 3.1Å; V128-I131 PolarHBondContact O-N 3.49Å; G129-I131 PolarHBondContact O-N 2.62Å; I131-I133 VanDerWaalsContact C-N 3.31Å; I131-I133 PolarHBondContact O-N 3.25Å; I131-L134 PolarHBondContact O-N 2.94Å; I131-L134 VanDerWaalsContact O-N 3.17Å; I131-I135 HydrophobicContact CG2-CD1 3.88Å; I131-I135 HydrophobicContact CG2-CG1 4.38Å; I131-I135 WeakPolarHBondContact O-CG1 3.18Å; I131-I135 PolarHBondContact O-N 3.46Å |
| 132 | L | 96.4 | Very high | 95.2 | Very high | 96 Ų | 96 | 70.3 Ų | 70.3 | 50% | 0.503 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 179.1 | -69.7 | 171.5 | 0 | 0 | 0 | 111.9 | V128 G129 M130 I135 F136 | V128-L132 WeakPolarHBondContact O-CG 3.35Å; V128-L132 PolarHBondContact O-N 3.43Å; V128-L132 VanDerWaalsContact O-N 3.12Å; G129-L132 PolarHBondContact O-N 3.43Å; M130-L132 VanDerWaalsContact C-N 3.34Å; M130-L132 PolarHBondContact O-N 2.89Å; L132-I135 PolarHBondContact O-N 2.93Å; L132-F136 WeakPolarHBondContact O-CD2 3.41Å; L132-F136 PolarHBondContact O-N 3.48Å |
| 133 | I | 97.2 | Very high | 95.4 | Very high | 93 Ų | 93 | 69 Ų | 69 | 48% | 0.477 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 176.6 | -60.6 | 164.4 | 0 | 0 | 0 | 110.7 | V112 G129 M130 I131 I135 F136 A137 | V112-I133 HydrophobicContact CB-CG2 4.45Å; V112-I133 HydrophobicContact CG1-CB 4.11Å; V112-I133 HydrophobicContact CG1-CG2 3.65Å; V112-I133 HydrophobicContact CG2-CG2 3.96Å; G129-I133 WeakPolarHBondContact O-CG1 3.29Å; G129-I133 PolarHBondContact O-N 3.01Å; G129-I133 VanDerWaalsContact O-N 3.14Å; M130-I133 PolarHBondContact O-N 3.41Å; I131-I133 VanDerWaalsContact C-N 3.31Å; I131-I133 PolarHBondContact O-N 3.25Å; I133-I135 VanDerWaalsContact C-N 3.32Å; I133-I135 PolarHBondContact O-N 2.99Å; I133-F136 PolarHBondContact O-N 3.44Å; I133-A137 PolarHBondContact O-N 3.2Å |
| 134 | L | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.9 | -35.4 | 179.2 | -69.8 | 169.2 | 0 | 0 | 0 | 112.7 | P57 M60 I109 V112 M130 I131 A137 E138 | P57-L134 HydrophobicContact CB-CD1 3.95Å; P57-L134 HydrophobicContact CB-CD2 4.41Å; P57-L134 HydrophobicContact CG-CD1 3.7Å; M60-L134 HydrophobicContact SD-CB 3.65Å; M60-L134 HydrophobicContact SD-CD1 4.36Å; I109-L134 HydrophobicContact CB-CD2 4.28Å; I109-L134 HydrophobicContact CG1-CD2 4.28Å; I109-L134 HydrophobicContact CG2-CD2 4.05Å; V112-L134 HydrophobicContact CB-CD2 4.06Å; V112-L134 HydrophobicContact CG1-CD2 3.8Å; V112-L134 HydrophobicContact CG1-CG 4.06Å; M130-L134 HydrophobicContact CE-CD1 4.39Å; M130-L134 HydrophobicContact CG-CD1 3.92Å; M130-L134 HydrophobicContact CG-CG 4.46Å; M130-L134 VanDerWaalsContact O-CG 3.31Å; M130-L134 WeakPolarHBondContact O-CG 3.04Å; M130-L134 PolarHBondContact O-N 3.41Å; M130-L134 HydrophobicContact SD-CD1 4.48Å; I131-L134 PolarHBondContact O-N 2.94Å; I131-L134 VanDerWaalsContact O-N 3.17Å; L134-A137 PolarHBondContact O-N 3.31Å; L134-E138 WeakPolarHBondContact O-CB 3.43Å; L134-E138 PolarHBondContact O-N 3.29Å |
| 135 | I | 97.4 | Very high | 95.7 | Very high | 73 Ų | 73 | 62.3 Ų | 62.3 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.8 | -47.3 | 173.7 | -68.9 | 165.4 | 0 | 0 | 0 | 110.3 | M60 I131 L132 I133 A137 E138 V139 | M60-I135 HydrophobicContact CE-CG1 4.3Å; I131-I135 HydrophobicContact CG2-CD1 3.88Å; I131-I135 HydrophobicContact CG2-CG1 4.38Å; I131-I135 WeakPolarHBondContact O-CG1 3.18Å; I131-I135 PolarHBondContact O-N 3.46Å; L132-I135 PolarHBondContact O-N 2.93Å; I133-I135 VanDerWaalsContact C-N 3.32Å; I133-I135 PolarHBondContact O-N 2.99Å; I135-A137 VanDerWaalsContact C-N 3.28Å; I135-A137 PolarHBondContact O-N 3.03Å; I135-E138 PolarHBondContact O-N 3.02Å; I135-V139 VanDerWaalsContact O-CG2 3.28Å; I135-V139 WeakPolarHBondContact O-CG2 3.27Å; I135-V139 PolarHBondContact O-N 3.33Å; I135-V139 VanDerWaalsContact O-N 3.07Å |
| 136 | F | 96.9 | Very high | 95.9 | Very high | 156 Ų | 156 | 56.5 Ų | 56.5 | 68% | 0.684 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -64.3 | -33.6 | 177 | -76 | -68.4 | 0 | 0 | 0 | 113 | L132 I133 | L132-F136 WeakPolarHBondContact O-CD2 3.41Å; L132-F136 PolarHBondContact O-N 3.48Å; I133-F136 PolarHBondContact O-N 3.44Å |
| 137 | A | 95.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.8 | -38 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A108 I109 I133 L134 I135 L140 | A108-A137 HydrophobicContact CB-CB 3.97Å; I109-A137 HydrophobicContact CG1-CB 3.91Å; I133-A137 PolarHBondContact O-N 3.2Å; L134-A137 PolarHBondContact O-N 3.31Å; I135-A137 VanDerWaalsContact C-N 3.28Å; I135-A137 PolarHBondContact O-N 3.03Å; A137-L140 WeakPolarHBondContact O-CB 3.46Å; A137-L140 WeakPolarHBondContact O-CG 3.32Å; A137-L140 PolarHBondContact O-N 2.96Å |
| 138 | E | 95.9 | Very high | 96.2 | Very high | 32 Ų | 32 | 53.7 Ų | 53.7 | 15% | 0.15 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.7 | -35.8 | 179.8 | -177.4 | -100.3 | -167.6 | 0 | 0 | 112.4 | Y67 I109 L134 I135 L140 G141 L142 | Y67-E138 PolarHBondContact OH-OE1 3.14Å; I109-E138 HydrophobicContact CD1-CB 4.28Å; L134-E138 WeakPolarHBondContact O-CB 3.43Å; L134-E138 PolarHBondContact O-N 3.29Å; I135-E138 PolarHBondContact O-N 3.02Å; E138-L140 PolarHBondContact O-N 3.45Å; E138-L140 VanDerWaalsContact O-N 3.1Å; E138-G141 WeakPolarHBondContact O-CA 3.34Å; E138-G141 PolarHBondContact O-N 2.99Å; E138-L142 PolarHBondContact O-N 3.42Å; E138-L142 WeakPolarHBondContact OE2-CD1 3.43Å |
| 139 | V | 97 | Very high | 96.2 | Very high | 33 Ų | 33 | 52.3 Ų | 52.3 | 20% | 0.2 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.7 | -27.1 | 175.9 | 170.4 | 0 | 0 | 0 | 0 | 112.7 | I135 G141 L142 Y143 | I135-V139 VanDerWaalsContact O-CG2 3.28Å; I135-V139 WeakPolarHBondContact O-CG2 3.27Å; I135-V139 PolarHBondContact O-N 3.33Å; I135-V139 VanDerWaalsContact O-N 3.07Å; V139-G141 VanDerWaalsContact C-N 3.28Å; V139-G141 PolarHBondContact O-N 3.27Å; V139-L142 HydrophobicContact CG2-CD1 4.42Å; V139-L142 WeakPolarHBondContact O-CB 3.31Å; V139-L142 PolarHBondContact O-N 3.05Å; V139-Y143 HydrophobicContact CG1-CD1 4.11Å; V139-Y143 HydrophobicContact CG1-CD2 4.28Å; V139-Y143 HydrophobicContact CG1-CE1 3.45Å; V139-Y143 VanDerWaalsContact CG1-CE1 3.45Å; V139-Y143 HydrophobicContact CG1-CE2 3.65Å; V139-Y143 HydrophobicContact CG1-CG 4.49Å; V139-Y143 VanDerWaalsContact CG1-OH 3.3Å; V139-Y143 WeakPolarHBondContact CG1-OH 3.48Å; V139-Y143 PolarHBondContact O-N 3.42Å |
| 140 | L | 95.3 | Very high | 96.2 | Very high | 79 Ų | 79 | 55.1 Ų | 55.1 | 41% | 0.414 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 173.1 | -58 | 175.2 | 0 | 0 | 0 | 112.2 | A105 A137 E138 | A105-L140 HydrophobicContact CB-CB 4.12Å; A137-L140 WeakPolarHBondContact O-CB 3.46Å; A137-L140 WeakPolarHBondContact O-CG 3.32Å; A137-L140 PolarHBondContact O-N 2.96Å; E138-L140 PolarHBondContact O-N 3.45Å; E138-L140 VanDerWaalsContact O-N 3.1Å |
| 141 | G | 94.7 | Very high | 96 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.8 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E138 V139 Y143 G144 L145 | E138-G141 WeakPolarHBondContact O-CA 3.34Å; E138-G141 PolarHBondContact O-N 2.99Å; V139-G141 VanDerWaalsContact C-N 3.28Å; V139-G141 PolarHBondContact O-N 3.27Å; G141-Y143 VanDerWaalsContact C-N 3.32Å; G141-Y143 PolarHBondContact O-N 2.91Å; G141-G144 PolarHBondContact O-N 3.44Å; G141-L145 PolarHBondContact O-N 3.2Å; G141-L145 VanDerWaalsContact O-N 3.11Å |
| 142 | L | 96.3 | Very high | 95.6 | Very high | 52 Ų | 52 | 55.9 Ų | 55.9 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 177 | -76 | 173.3 | 0 | 0 | 0 | 112.6 | Y67 E138 V139 G144 L145 I146 | Y67-L142 HydrophobicContact CE1-CD2 4.1Å; Y67-L142 HydrophobicContact CE2-CD2 3.95Å; Y67-L142 HydrophobicContact CE2-CG 4.12Å; Y67-L142 VanDerWaalsContact CZ-CD2 3.49Å; Y67-L142 WeakPolarHBondContact OH-CD2 3.16Å; E138-L142 PolarHBondContact O-N 3.42Å; E138-L142 WeakPolarHBondContact OE2-CD1 3.43Å; V139-L142 HydrophobicContact CG2-CD1 4.42Å; V139-L142 WeakPolarHBondContact O-CB 3.31Å; V139-L142 PolarHBondContact O-N 3.05Å; L142-G144 PolarHBondContact O-N 3.03Å; L142-L145 HydrophobicContact CD2-CD2 4.49Å; L142-L145 WeakPolarHBondContact O-CB 3.34Å; L142-L145 PolarHBondContact O-N 3.42Å; L142-I146 WeakPolarHBondContact O-CG1 3.4Å; L142-I146 PolarHBondContact O-N 3.48Å |
| 143 | Y | 96.9 | Very high | 95.1 | Very high | 142 Ų | 142 | 57 Ų | 57 | 56% | 0.557 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.1 | -45.1 | 176.5 | -65.2 | -25.7 | 0 | 0 | 0 | 112.3 | V139 G141 L145 I146 V147 | V139-Y143 HydrophobicContact CG1-CD1 4.11Å; V139-Y143 HydrophobicContact CG1-CD2 4.28Å; V139-Y143 HydrophobicContact CG1-CE1 3.45Å; V139-Y143 VanDerWaalsContact CG1-CE1 3.45Å; V139-Y143 HydrophobicContact CG1-CE2 3.65Å; V139-Y143 HydrophobicContact CG1-CG 4.49Å; V139-Y143 VanDerWaalsContact CG1-OH 3.3Å; V139-Y143 WeakPolarHBondContact CG1-OH 3.48Å; V139-Y143 PolarHBondContact O-N 3.42Å; G141-Y143 VanDerWaalsContact C-N 3.32Å; G141-Y143 PolarHBondContact O-N 2.91Å; Y143-L145 VanDerWaalsContact C-N 3.32Å; Y143-L145 PolarHBondContact O-N 2.95Å; Y143-I146 PolarHBondContact O-N 3.44Å; Y143-V147 WeakPolarHBondContact O-CG2 3.37Å; Y143-V147 PolarHBondContact O-N 3.31Å; Y143-V147 VanDerWaalsContact O-N 3.13Å |
| 144 | G | 96.1 | Very high | 94.2 | Very high | 6 Ų | 6 | 60 Ų | 60 | 6% | 0.062 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -33.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S97 S101 G141 L142 A148 | S97-G144 PolarHBondContact OG-O 3.45Å; S101-G144 WeakPolarHBondContact OG-CA 3.38Å; G141-G144 PolarHBondContact O-N 3.44Å; L142-G144 PolarHBondContact O-N 3.03Å; G144-A148 WeakPolarHBondContact O-CB 2.86Å; G144-A148 PolarHBondContact O-N 3.09Å |
| 145 | L | 96.6 | Very high | 94.1 | Very high | 23 Ų | 23 | 63 Ų | 63 | 12% | 0.12 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 172.6 | 176 | 64.4 | 0 | 0 | 0 | 111.7 | Y67 V71 V98 G141 L142 Y143 V147 A148 L149 | Y67-L145 HydrophobicContact CD1-CD2 3.69Å; Y67-L145 HydrophobicContact CE1-CD2 4.12Å; Y67-L145 HydrophobicContact CG-CD2 3.98Å; V71-L145 HydrophobicContact CG2-CD1 3.55Å; V98-L145 HydrophobicContact CG2-CB 4.34Å; V98-L145 HydrophobicContact CG2-CD1 4.49Å; G141-L145 PolarHBondContact O-N 3.2Å; G141-L145 VanDerWaalsContact O-N 3.11Å; L142-L145 HydrophobicContact CD2-CD2 4.49Å; L142-L145 WeakPolarHBondContact O-CB 3.34Å; L142-L145 PolarHBondContact O-N 3.42Å; Y143-L145 VanDerWaalsContact C-N 3.32Å; Y143-L145 PolarHBondContact O-N 2.95Å; L145-V147 VanDerWaalsContact C-N 3.31Å; L145-V147 PolarHBondContact O-N 3.32Å; L145-A148 PolarHBondContact O-N 3.24Å; L145-A148 VanDerWaalsContact O-N 3.17Å; L145-L149 HydrophobicContact CD1-CD1 4.26Å; L145-L149 HydrophobicContact CD1-CG 4.18Å; L145-L149 HydrophobicContact CG-CD1 4.15Å; L145-L149 HydrophobicContact CG-CG 4.46Å; L145-L149 WeakPolarHBondContact O-CG 3.36Å; L145-L149 PolarHBondContact O-N 2.68Å |
| 146 | I | 96.7 | Very high | 93.9 | Very high | 92 Ų | 92 | 62.5 Ų | 62.5 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 179.6 | -67.7 | 165.3 | 0 | 0 | 0 | 110.4 | L142 Y143 A148 L149 I150 | L142-I146 WeakPolarHBondContact O-CG1 3.4Å; L142-I146 PolarHBondContact O-N 3.48Å; Y143-I146 PolarHBondContact O-N 3.44Å; I146-A148 PolarHBondContact O-N 3.13Å; I146-L149 PolarHBondContact O-N 3.34Å; I146-I150 HydrophobicContact CG2-CD1 3.95Å; I146-I150 WeakPolarHBondContact O-CG1 3.35Å; I146-I150 PolarHBondContact O-N 3.23Å |
| 147 | V | 96.8 | Very high | 93.7 | Very high | 68 Ų | 68 | 57.3 Ų | 57.3 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 176.9 | 173.8 | 0 | 0 | 0 | 0 | 111 | S97 Y143 L145 L149 I150 L151 | S97-V147 WeakPolarHBondContact OG-CB 3.45Å; S97-V147 WeakPolarHBondContact OG-CG1 3.25Å; Y143-V147 WeakPolarHBondContact O-CG2 3.37Å; Y143-V147 PolarHBondContact O-N 3.31Å; Y143-V147 VanDerWaalsContact O-N 3.13Å; L145-V147 VanDerWaalsContact C-N 3.31Å; L145-V147 PolarHBondContact O-N 3.32Å; V147-L149 VanDerWaalsContact C-N 3.33Å; V147-L149 PolarHBondContact O-N 3.16Å; V147-I150 PolarHBondContact O-N 2.9Å; V147-L151 HydrophobicContact CG1-CD1 3.97Å; V147-L151 HydrophobicContact CG1-CG 4.39Å; V147-L151 WeakPolarHBondContact O-CG 3.37Å; V147-L151 PolarHBondContact O-N 3.28Å |
| 148 | A | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V71 A94 V98 G144 L145 I146 L151 S152 | V71-A148 HydrophobicContact CG1-CB 4.12Å; V71-A148 HydrophobicContact CG2-CB 3.88Å; A94-A148 HydrophobicContact CB-CB 4.15Å; A94-A148 WeakPolarHBondContact O-CB 3.27Å; V98-A148 HydrophobicContact CB-CB 4.01Å; V98-A148 HydrophobicContact CG1-CB 4.35Å; G144-A148 WeakPolarHBondContact O-CB 2.86Å; G144-A148 PolarHBondContact O-N 3.09Å; L145-A148 PolarHBondContact O-N 3.24Å; L145-A148 VanDerWaalsContact O-N 3.17Å; I146-A148 PolarHBondContact O-N 3.13Å; A148-L151 PolarHBondContact O-N 3.3Å; A148-S152 WeakPolarHBondContact O-CB 3.34Å; A148-S152 PolarHBondContact O-N 3.22Å |
| 149 | L | 94.8 | Very high | 93.5 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 35% | 0.351 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 176.3 | -69.3 | 174.9 | 0 | 0 | 0 | 111.6 | L74 L145 I146 V147 L151 S152 T153 | L74-L149 HydrophobicContact CD1-CD2 3.44Å; L74-L149 VanDerWaalsContact CD1-CD2 3.44Å; L145-L149 HydrophobicContact CD1-CD1 4.26Å; L145-L149 HydrophobicContact CD1-CG 4.18Å; L145-L149 HydrophobicContact CG-CD1 4.15Å; L145-L149 HydrophobicContact CG-CG 4.46Å; L145-L149 WeakPolarHBondContact O-CG 3.36Å; L145-L149 PolarHBondContact O-N 2.68Å; I146-L149 PolarHBondContact O-N 3.34Å; V147-L149 VanDerWaalsContact C-N 3.33Å; V147-L149 PolarHBondContact O-N 3.16Å; L149-L151 VanDerWaalsContact C-N 3.33Å; L149-L151 PolarHBondContact O-N 2.97Å; L149-S152 PolarHBondContact O-N 2.78Å; L149-T153 WeakPolarHBondContact O-CG2 3.42Å; L149-T153 PolarHBondContact O-N 3.38Å; L149-T153 VanDerWaalsContact O-N 3.13Å; L149-T153 PolarHBondContact O-OG1 3.25Å |
| 150 | I | 94.8 | Very high | 93.2 | Very high | 91 Ų | 91 | 63.8 Ų | 63.8 | 47% | 0.467 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 176.3 | -66.9 | 166.8 | 0 | 0 | 0 | 110.5 | I146 V147 S152 T153 | I146-I150 HydrophobicContact CG2-CD1 3.95Å; I146-I150 WeakPolarHBondContact O-CG1 3.35Å; I146-I150 PolarHBondContact O-N 3.23Å; V147-I150 PolarHBondContact O-N 2.9Å; I150-S152 VanDerWaalsContact C-N 3.31Å; I150-S152 PolarHBondContact O-N 3.43Å; I150-T153 PolarHBondContact O-N 2.95Å; I150-T153 PolarHBondContact O-OG1 3.38Å |
| 151 | L | 92.9 | Very high | 93.1 | Very high | 45 Ų | 45 | 62.7 Ų | 62.7 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 177.6 | -70.8 | 174.6 | 0 | 0 | 0 | 112.5 | L90 A94 V147 A148 L149 T153 | L90-L151 HydrophobicContact CD2-CD2 4.02Å; A94-L151 HydrophobicContact CB-CB 3.91Å; A94-L151 HydrophobicContact CB-CD1 4.46Å; V147-L151 HydrophobicContact CG1-CD1 3.97Å; V147-L151 HydrophobicContact CG1-CG 4.39Å; V147-L151 WeakPolarHBondContact O-CG 3.37Å; V147-L151 PolarHBondContact O-N 3.28Å; A148-L151 PolarHBondContact O-N 3.3Å; L149-L151 VanDerWaalsContact C-N 3.33Å; L149-L151 PolarHBondContact O-N 2.97Å; L151-T153 VanDerWaalsContact C-N 3.28Å; L151-T153 PolarHBondContact O-N 3.04Å |
| 152 | S | 87.4 | Confident | 93 | Very high | 17 Ų | 17 | 67.5 Ų | 67.5 | 12% | 0.119 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.9 | -18 | 178.3 | -170.1 | 0 | 0 | 0 | 0 | 113.8 | A148 L149 I150 | A148-S152 WeakPolarHBondContact O-CB 3.34Å; A148-S152 PolarHBondContact O-N 3.22Å; L149-S152 PolarHBondContact O-N 2.78Å; I150-S152 VanDerWaalsContact C-N 3.31Å; I150-S152 PolarHBondContact O-N 3.43Å |
| 153 | T | 85.9 | Confident | 92.7 | Very high | 120 Ų | 120 | 68.8 Ų | 68.8 | 74% | 0.736 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -90.2 | -10.9 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | L149 I150 L151 | L149-T153 WeakPolarHBondContact O-CG2 3.42Å; L149-T153 PolarHBondContact O-N 3.38Å; L149-T153 VanDerWaalsContact O-N 3.13Å; L149-T153 PolarHBondContact O-OG1 3.25Å; I150-T153 PolarHBondContact O-N 2.95Å; I150-T153 PolarHBondContact O-OG1 3.38Å; L151-T153 VanDerWaalsContact C-N 3.28Å; L151-T153 PolarHBondContact O-N 3.04Å |
| 154 | K | 77.4 | Confident | 92.3 | Very high | 155 Ų | 155 | 62.2 Ų | 62.2 | 67% | 0.674 | 33% | 0.332 | S | S | * | . | trans | -90.5 | 0 | 176.8 | -72.8 | -171.7 | 175.5 | -173.3 | 0 | 111.6 | L90 | L90-K154 HydrophobicContact CD1-CB 3.97Å; L90-K154 WeakPolarHBondContact CD1-OXT 3.46Å |
Retrieved 154 of 154 residues in 162.8 ms
(Link to these results)