| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.5 | Very low | 73 | Confident | 242 Ų | 242 | 94.1 Ų | 94.1 | 100% | 1.192 | 51% | 0.511 | S | S | * | . | 0 | 113.8 | 0 | -78 | -178.4 | 157 | 0 | 0 | 107.6 | |||||
| 2 | I | 37.9 | Very low | 74.5 | Confident | 160 Ų | 160 | 95.4 Ų | 95.4 | 82% | 0.821 | 52% | 0.517 | S | S | * | . | trans | -57.5 | 129.1 | 168.9 | -60.6 | 168.2 | 0 | 0 | 0 | 105.5 | N4 | I2-N4 PolarHBondContact O-N 3.04Š| ||
| 3 | P | 51.6 | Low | 75.8 | Confident | 93 Ų | 93 | 92.1 Ų | 92.1 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | trans | -56.8 | 122 | 175.3 | -9.6 | 20.3 | 0 | 0 | 0 | 106.4 | S5 V8 | P3-S5 PolarHBondContact O-N 3.32Å; P3-V8 HydrophobicContact CB-CG2 3.53Å | ||
| 4 | N | 70.8 | Confident | 77 | Confident | 84 Ų | 84 | 85.5 Ų | 85.5 | 45% | 0.449 | 47% | 0.469 | S | S | . | . | trans | -54.1 | 109.1 | 172.8 | -178.8 | -12.6 | 0 | 0 | 0 | 106 | I2 R6 L7 V8 | I2-N4 PolarHBondContact O-N 3.04Å; N4-R6 PolarHBondContact O-N 2.83Å; N4-R6 WeakPolarHBondContact OD1-CB 3.31Å; N4-R6 PolarHBondContact OD1-N 2.96Å; N4-L7 HydrophobicContact CB-CB 4.14Å; N4-L7 WeakPolarHBondContact O-CA 3.17Å; N4-L7 WeakPolarHBondContact O-CB 3.44Å; N4-L7 PolarHBondContact O-N 3.31Å; N4-V8 PolarHBondContact O-N 3.15Å; N4-V8 VanDerWaalsContact O-N 3.16Å | ||
| 5 | S | 79.7 | Confident | 77.9 | Confident | 91 Ų | 91 | 87.6 Ų | 87.6 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -55.6 | -29 | -170.1 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | P3 S9 | P3-S5 PolarHBondContact O-N 3.32Å; S5-S9 WeakPolarHBondContact O-CB 3.45Å; S5-S9 PolarHBondContact O-N 3.04Å |
| 6 | R | 81.9 | Confident | 78.7 | Confident | 114 Ų | 114 | 87.6 Ų | 87.6 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.9 | -40.7 | 174.5 | -62.2 | -179.7 | 175.1 | 179.3 | -8.8 | 113.4 | N4 S9 L10 E33 | N4-R6 PolarHBondContact O-N 2.83Å; N4-R6 WeakPolarHBondContact OD1-CB 3.31Å; N4-R6 PolarHBondContact OD1-N 2.96Å; R6-S9 PolarHBondContact O-N 2.98Å; R6-L10 WeakPolarHBondContact O-CB 3.22Å; R6-L10 PolarHBondContact O-N 2.61Å; R6-E33 PolarHBondContact NH1-O 3.27Å |
| 7 | L | 85.9 | Confident | 79.2 | Confident | 58 Ų | 58 | 87.6 Ų | 87.6 | 30% | 0.304 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.7 | -179.1 | 61.6 | 0 | 0 | 0 | 110.8 | N4 S9 L10 L11 W30 V151 | N4-L7 HydrophobicContact CB-CB 4.14Å; N4-L7 WeakPolarHBondContact O-CA 3.17Å; N4-L7 WeakPolarHBondContact O-CB 3.44Å; N4-L7 PolarHBondContact O-N 3.31Å; L7-S9 VanDerWaalsContact C-N 3.34Å; L7-S9 PolarHBondContact O-N 3.4Å; L7-L10 HydrophobicContact CD1-CD2 4.23Å; L7-L10 WeakPolarHBondContact O-CB 3.37Å; L7-L10 PolarHBondContact O-N 3.03Å; L7-L11 HydrophobicContact CD1-CG 4.48Å; L7-L11 HydrophobicContact CG-CD1 4.44Å; L7-L11 WeakPolarHBondContact O-CG 3.01Å; L7-L11 PolarHBondContact O-N 2.87Å; L7-W30 HydrophobicContact CD1-CZ2 4.07Å; L7-V151 HydrophobicContact CD1-CG1 3.97Å; L7-V151 HydrophobicContact CD1-CG2 4.48Å |
| 8 | V | 85.9 | Confident | 79.7 | Confident | 62 Ų | 62 | 85.7 Ų | 85.7 | 38% | 0.376 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 175.2 | 178 | 0 | 0 | 0 | 0 | 111 | P3 N4 L11 N12 | P3-V8 HydrophobicContact CB-CG2 3.53Å; N4-V8 PolarHBondContact O-N 3.15Å; N4-V8 VanDerWaalsContact O-N 3.16Å; V8-L11 PolarHBondContact O-N 3.12Å; V8-N12 PolarHBondContact O-N 3.13Å; V8-N12 PolarHBondContact O-ND2 3.07Å |
| 9 | S | 88.4 | Confident | 80.2 | Confident | 68 Ų | 68 | 83.5 Ų | 83.5 | 48% | 0.476 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 175.7 | -167.8 | 0 | 0 | 0 | 0 | 112.7 | S5 R6 L7 S13 | S5-S9 WeakPolarHBondContact O-CB 3.45Å; S5-S9 PolarHBondContact O-N 3.04Å; R6-S9 PolarHBondContact O-N 2.98Å; L7-S9 VanDerWaalsContact C-N 3.34Å; L7-S9 PolarHBondContact O-N 3.4Å; S9-S13 WeakPolarHBondContact O-CB 2.87Å; S9-S13 PolarHBondContact O-N 3.34Å; S9-S13 VanDerWaalsContact O-N 3.08Å; S9-S13 PolarHBondContact O-OG 3.11Å |
| 10 | L | 91.1 | Very high | 80.6 | Confident | 7 Ų | 7 | 80.1 Ų | 80.1 | 4% | 0.037 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.3 | -53.3 | 173.7 | 169.4 | 65.9 | 0 | 0 | 0 | 110.4 | R6 L7 N12 S13 V14 C26 L27 W30 V151 L155 | R6-L10 WeakPolarHBondContact O-CB 3.22Å; R6-L10 PolarHBondContact O-N 2.61Å; L7-L10 HydrophobicContact CD1-CD2 4.23Å; L7-L10 WeakPolarHBondContact O-CB 3.37Å; L7-L10 PolarHBondContact O-N 3.03Å; L10-N12 VanDerWaalsContact C-N 3.34Å; L10-N12 PolarHBondContact O-N 3.25Å; L10-S13 PolarHBondContact O-N 2.82Å; L10-S13 VanDerWaalsContact O-N 3.13Å; L10-V14 HydrophobicContact CD1-CG2 3.81Å; L10-V14 HydrophobicContact CG-CG2 4.38Å; L10-V14 WeakPolarHBondContact O-CG2 2.96Å; L10-V14 PolarHBondContact O-N 3.37Å; L10-C26 HydrophobicContact CD1-CB 3.76Å; L10-L27 HydrophobicContact CD1-CD2 4.32Å; L10-L27 HydrophobicContact CD2-CD2 4.04Å; L10-W30 HydrophobicContact CB-CB 4.43Å; L10-W30 HydrophobicContact CB-CG 4.15Å; L10-W30 HydrophobicContact CD1-CB 4.04Å; L10-W30 HydrophobicContact CD1-CG 4.44Å; L10-W30 HydrophobicContact CD2-CB 4.21Å; L10-W30 HydrophobicContact CD2-CD2 3.57Å; L10-W30 HydrophobicContact CD2-CE3 3.75Å; L10-W30 HydrophobicContact CD2-CG 3.77Å; L10-W30 HydrophobicContact CD2-CZ3 4.28Å; L10-W30 HydrophobicContact CG-CB 4.45Å; L10-W30 HydrophobicContact CG-CG 4.33Å; L10-V151 HydrophobicContact CD2-CG1 4.1Å; L10-L155 HydrophobicContact CD2-CD1 3.86Å; L10-L155 HydrophobicContact CG-CD1 4.21Å |
| 11 | L | 91.3 | Very high | 81 | Confident | 56 Ų | 56 | 79.7 Ų | 79.7 | 29% | 0.293 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | -177.6 | -67.7 | 177.6 | 0 | 0 | 0 | 111.4 | L7 V8 S13 V14 F15 L155 | L7-L11 HydrophobicContact CD1-CG 4.48Å; L7-L11 HydrophobicContact CG-CD1 4.44Å; L7-L11 WeakPolarHBondContact O-CG 3.01Å; L7-L11 PolarHBondContact O-N 2.87Å; V8-L11 PolarHBondContact O-N 3.12Å; L11-S13 VanDerWaalsContact C-N 3.29Å; L11-S13 PolarHBondContact O-N 2.94Å; L11-V14 PolarHBondContact O-N 3.34Å; L11-F15 HydrophobicContact CB-CD2 4.04Å; L11-F15 HydrophobicContact CB-CE2 3.99Å; L11-F15 HydrophobicContact CD2-CE2 3.87Å; L11-F15 HydrophobicContact CG-CE2 4.4Å; L11-F15 WeakPolarHBondContact O-CB 3.44Å; L11-F15 WeakPolarHBondContact O-CD2 3.35Å; L11-F15 WeakPolarHBondContact O-CG 3.28Å; L11-F15 PolarHBondContact O-N 3.44Å; L11-L155 HydrophobicContact CD2-CD1 4.28Å; L11-L155 HydrophobicContact CD2-CD2 3.96Å |
| 12 | N | 91 | Very high | 83.6 | Confident | 110 Ų | 110 | 69.8 Ų | 69.8 | 59% | 0.588 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -59.8 | -39.6 | 175.8 | -74.4 | -18.7 | 0 | 0 | 0 | 112.4 | V8 L10 A16 | V8-N12 PolarHBondContact O-N 3.13Å; V8-N12 PolarHBondContact O-ND2 3.07Å; L10-N12 VanDerWaalsContact C-N 3.34Å; L10-N12 PolarHBondContact O-N 3.25Å; N12-A16 WeakPolarHBondContact O-CB 3.39Å; N12-A16 PolarHBondContact O-N 3.18Å; N12-A16 VanDerWaalsContact O-N 3.12Å |
| 13 | S | 91.8 | Very high | 86.2 | Confident | 52 Ų | 52 | 62.1 Ų | 62.1 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -73.2 | -37.1 | -179.6 | -52.7 | 0 | 0 | 0 | 0 | 112.2 | S9 L10 L11 N22 | S9-S13 WeakPolarHBondContact O-CB 2.87Å; S9-S13 PolarHBondContact O-N 3.34Å; S9-S13 VanDerWaalsContact O-N 3.08Å; S9-S13 PolarHBondContact O-OG 3.11Å; L10-S13 PolarHBondContact O-N 2.82Å; L10-S13 VanDerWaalsContact O-N 3.13Å; L11-S13 VanDerWaalsContact C-N 3.29Å; L11-S13 PolarHBondContact O-N 2.94Å; S13-N22 PolarHBondContact O-ND2 3.18Å; S13-N22 VanDerWaalsContact O-ND2 3.09Å |
| 14 | V | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.1 | -45 | 176.4 | 165.4 | 0 | 0 | 0 | 0 | 111.3 | L10 L11 A16 D17 V18 V23 C26 L155 M158 | L10-V14 HydrophobicContact CD1-CG2 3.81Å; L10-V14 HydrophobicContact CG-CG2 4.38Å; L10-V14 WeakPolarHBondContact O-CG2 2.96Å; L10-V14 PolarHBondContact O-N 3.37Å; L11-V14 PolarHBondContact O-N 3.34Å; V14-A16 VanDerWaalsContact C-N 3.3Å; V14-A16 PolarHBondContact O-N 2.95Å; V14-D17 CarbonylContact O-C 3.53Å; V14-D17 PolarHBondContact O-N 3.09Å; V14-V18 PolarHBondContact O-N 3.28Å; V14-V23 HydrophobicContact CB-CG2 4.41Å; V14-V23 HydrophobicContact CG1-CG2 3.64Å; V14-V23 HydrophobicContact CG2-CG2 4.26Å; V14-C26 HydrophobicContact CG2-CB 3.84Å; V14-L155 HydrophobicContact CG1-CD2 4.18Å; V14-L155 HydrophobicContact CG2-CD1 4.39Å; V14-M158 HydrophobicContact CG1-CE 4.03Å |
| 15 | F | 90.4 | Very high | 89.3 | Confident | 117 Ų | 117 | 56.4 Ų | 56.4 | 51% | 0.513 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -76.5 | -15.9 | -178.7 | -70 | -57.6 | 0 | 0 | 0 | 113.9 | L11 D17 V18 M158 | L11-F15 HydrophobicContact CB-CD2 4.04Å; L11-F15 HydrophobicContact CB-CE2 3.99Å; L11-F15 HydrophobicContact CD2-CE2 3.87Å; L11-F15 HydrophobicContact CG-CE2 4.4Å; L11-F15 WeakPolarHBondContact O-CB 3.44Å; L11-F15 WeakPolarHBondContact O-CD2 3.35Å; L11-F15 WeakPolarHBondContact O-CG 3.28Å; L11-F15 PolarHBondContact O-N 3.44Å; F15-D17 VanDerWaalsContact C-N 3.29Å; F15-V18 HydrophobicContact CD1-CG2 4.33Å; F15-M158 HydrophobicContact CD1-CE 4.48Å; F15-M158 HydrophobicContact CE1-CE 3.91Å; F15-M158 HydrophobicContact CE1-SD 3.59Å; F15-M158 VanDerWaalsContact CE1-SD 3.59Å; F15-M158 HydrophobicContact CZ-SD 4.12Å |
| 16 | A | 90.5 | Very high | 89.9 | Confident | 88 Ų | 88 | 52.8 Ų | 52.8 | 73% | 0.727 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.3 | -33.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N12 V14 | N12-A16 WeakPolarHBondContact O-CB 3.39Å; N12-A16 PolarHBondContact O-N 3.18Å; N12-A16 VanDerWaalsContact O-N 3.12Å; V14-A16 VanDerWaalsContact C-N 3.3Å; V14-A16 PolarHBondContact O-N 2.95Å |
| 17 | D | 87.8 | Confident | 90.5 | Very high | 87 Ų | 87 | 47.4 Ų | 47.4 | 47% | 0.465 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -151.8 | 95.2 | 179.6 | -173.2 | 3.9 | 0 | 0 | 0 | 110.7 | V14 F15 N19 N22 | V14-D17 CarbonylContact O-C 3.53Å; V14-D17 PolarHBondContact O-N 3.09Å; F15-D17 VanDerWaalsContact C-N 3.29Å; D17-N19 VanDerWaalsContact C-N 3.33Å; D17-N19 PolarHBondContact O-N 2.65Å; D17-N19 PolarHBondContact OD1-ND2 3.44Å; D17-N19 PolarHBondContact OD2-ND2 3.45Å; D17-N22 PolarHBondContact O-ND2 2.81Å |
| 18 | V | 88.2 | Confident | 90.9 | Very high | 53 Ų | 53 | 44.7 Ų | 44.7 | 32% | 0.321 | 26% | 0.257 | S | S | . | . | trans | -83.8 | 77.1 | -175.3 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | V14 F15 M158 V159 T162 | V14-V18 PolarHBondContact O-N 3.28Å; F15-V18 HydrophobicContact CD1-CG2 4.33Å; V18-M158 HydrophobicContact CG1-CE 3.94Å; V18-V159 HydrophobicContact CG1-CG2 3.92Å; V18-T162 HydrophobicContact CG1-CG2 4.47Å | ||
| 19 | N | 88.4 | Confident | 91.1 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 24% | 0.235 | 26% | 0.255 | C | S | . | . | trans | -131.4 | 152.2 | 171.4 | 73.4 | 67.4 | 0 | 0 | 0 | 111 | D17 E21 N22 V23 | D17-N19 VanDerWaalsContact C-N 3.33Å; D17-N19 PolarHBondContact O-N 2.65Å; D17-N19 PolarHBondContact OD1-ND2 3.44Å; D17-N19 PolarHBondContact OD2-ND2 3.45Å; N19-E21 VanDerWaalsContact C-N 3.28Å; N19-E21 PolarHBondContact O-N 3.37Å; N19-E21 PolarHBondContact OD1-N 3.27Å; N19-N22 PolarHBondContact O-N 2.68Å; N19-N22 WeakPolarHBondContact OD1-CB 3.36Å; N19-N22 PolarHBondContact OD1-N 2.89Å; N19-V23 WeakPolarHBondContact O-CG2 3.16Å; N19-V23 PolarHBondContact O-N 2.57Å | ||
| 20 | M | 89.3 | Confident | 91.3 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.5 | -41.3 | -174 | -172.4 | 58.1 | 67.5 | 0 | 0 | 113.2 | Q24 I44 V159 I160 E163 | M20-Q24 WeakPolarHBondContact O-CB 3.49Å; M20-Q24 VanDerWaalsContact O-CG 3.24Å; M20-Q24 WeakPolarHBondContact O-CG 3.48Å; M20-Q24 PolarHBondContact O-N 3.11Å; M20-Q24 HydrophobicContact SD-CG 4.27Å; M20-I44 HydrophobicContact CE-CG2 4.3Å; M20-I44 HydrophobicContact CG-CG1 4.28Å; M20-I44 HydrophobicContact SD-CD1 3.85Å; M20-I44 HydrophobicContact SD-CG1 3.87Å; M20-V159 HydrophobicContact CB-CG1 4.16Å; M20-V159 HydrophobicContact CE-CB 4.11Å; M20-V159 HydrophobicContact CE-CG1 3.76Å; M20-V159 HydrophobicContact SD-CG1 4.47Å; M20-I160 HydrophobicContact CE-CD1 4.33Å; M20-I160 HydrophobicContact CE-CG1 3.55Å; M20-E163 PolarHBondContact N-OE1 3.09Å |
| 21 | E | 89.6 | Confident | 91.3 | Very high | 72 Ų | 72 | 41.9 Ų | 41.9 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65 | -49 | -180 | -66.3 | -173.6 | 177.4 | 0 | 0 | 111.7 | N19 V23 Q24 L25 I56 K61 | N19-E21 VanDerWaalsContact C-N 3.28Å; N19-E21 PolarHBondContact O-N 3.37Å; N19-E21 PolarHBondContact OD1-N 3.27Å; E21-V23 VanDerWaalsContact C-N 3.34Å; E21-V23 PolarHBondContact O-N 2.83Å; E21-Q24 PolarHBondContact O-N 3.13Å; E21-L25 WeakPolarHBondContact O-CB 3.42Å; E21-L25 PolarHBondContact O-N 3.49Å; E21-I56 HydrophobicContact CB-CD1 3.93Å; E21-I56 WeakPolarHBondContact O-CD1 3.42Å; E21-K61 WeakPolarHBondContact OE1-CE 3.49Å; E21-K61 IonicContact OE1-NZ 2.79Å; E21-K61 PolarHBondContact OE1-NZ 2.97Å; E21-K61 WeakPolarHBondContact OE2-CE 3.5Å; E21-K61 IonicContact OE2-NZ 3.79Å; E21-K61 PolarHBondContact OE2-NZ 3.1Å |
| 22 | N | 91.5 | Very high | 91.2 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.1 | -40.6 | 179.8 | -176.5 | 52.4 | 0 | 0 | 0 | 111.4 | S13 D17 N19 L25 C26 | S13-N22 PolarHBondContact O-ND2 3.18Å; S13-N22 VanDerWaalsContact O-ND2 3.09Å; D17-N22 PolarHBondContact O-ND2 2.81Å; N19-N22 PolarHBondContact O-N 2.68Å; N19-N22 WeakPolarHBondContact OD1-CB 3.36Å; N19-N22 PolarHBondContact OD1-N 2.89Å; N22-L25 PolarHBondContact O-N 3.35Å; N22-C26 WeakPolarHBondContact O-CB 3.07Å; N22-C26 PolarHBondContact O-N 2.97Å; N22-C26 PolarHBondContact O-SG 3.48Å |
| 23 | V | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.4 | -45 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | V14 N19 E21 L25 C26 L27 L155 V159 | V14-V23 HydrophobicContact CB-CG2 4.41Å; V14-V23 HydrophobicContact CG1-CG2 3.64Å; V14-V23 HydrophobicContact CG2-CG2 4.26Å; N19-V23 WeakPolarHBondContact O-CG2 3.16Å; N19-V23 PolarHBondContact O-N 2.57Å; E21-V23 VanDerWaalsContact C-N 3.34Å; E21-V23 PolarHBondContact O-N 2.83Å; V23-L25 VanDerWaalsContact C-N 3.33Å; V23-L25 PolarHBondContact O-N 2.88Å; V23-C26 PolarHBondContact O-N 2.7Å; V23-L27 HydrophobicContact CG1-CD1 3.78Å; V23-L27 HydrophobicContact CG1-CG 4.3Å; V23-L27 VanDerWaalsContact O-CB 3.27Å; V23-L27 WeakPolarHBondContact O-CB 3.17Å; V23-L27 VanDerWaalsContact O-CG 3.25Å; V23-L27 WeakPolarHBondContact O-CG 3.35Å; V23-L27 PolarHBondContact O-N 3.18Å; V23-L155 HydrophobicContact CG1-CB 4.15Å; V23-V159 HydrophobicContact CB-CG2 3.9Å; V23-V159 HydrophobicContact CG1-CG2 4.07Å; V23-V159 HydrophobicContact CG2-CG2 3.35Å |
| 24 | Q | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.1 | -42.7 | 174 | -75.5 | -175.2 | -35.8 | 0 | 0 | 112.3 | M20 E21 N28 F42 I56 | M20-Q24 WeakPolarHBondContact O-CB 3.49Å; M20-Q24 VanDerWaalsContact O-CG 3.24Å; M20-Q24 WeakPolarHBondContact O-CG 3.48Å; M20-Q24 PolarHBondContact O-N 3.11Å; M20-Q24 HydrophobicContact SD-CG 4.27Å; E21-Q24 PolarHBondContact O-N 3.13Å; Q24-N28 WeakPolarHBondContact O-CB 3.44Å; Q24-N28 VanDerWaalsContact O-CG 3.24Å; Q24-N28 PolarHBondContact O-N 3.2Å; Q24-N28 PolarHBondContact O-ND2 3.02Å; Q24-F42 HydrophobicContact CG-CB 4.09Å; Q24-F42 HydrophobicContact CG-CD2 4.41Å; Q24-F42 HydrophobicContact CG-CG 4.48Å; Q24-F42 PolarHBondContact NE2-O 3.49Å; Q24-I56 HydrophobicContact CB-CB 4.17Å; Q24-I56 HydrophobicContact CB-CD1 3.98Å; Q24-I56 HydrophobicContact CB-CG1 4.36Å |
| 25 | L | 93.8 | Very high | 90.4 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 29% | 0.293 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.8 | -51.1 | 178.1 | -177.1 | 68.1 | 0 | 0 | 0 | 111.3 | E21 N22 V23 L27 N28 I29 I56 V59 | E21-L25 WeakPolarHBondContact O-CB 3.42Å; E21-L25 PolarHBondContact O-N 3.49Å; N22-L25 PolarHBondContact O-N 3.35Å; V23-L25 VanDerWaalsContact C-N 3.33Å; V23-L25 PolarHBondContact O-N 2.88Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-L27 PolarHBondContact O-N 2.61Å; L25-N28 PolarHBondContact O-N 2.9Å; L25-I29 HydrophobicContact CD1-CD1 4.44Å; L25-I29 HydrophobicContact CG-CD1 4.21Å; L25-I29 WeakPolarHBondContact O-CG1 3.4Å; L25-I29 PolarHBondContact O-N 2.9Å; L25-I29 VanDerWaalsContact O-N 3.08Å; L25-I56 HydrophobicContact CB-CD1 4.16Å; L25-I56 HydrophobicContact CD1-CG2 4.42Å; L25-V59 HydrophobicContact CD1-CB 4.27Å |
| 26 | C | 93.6 | Very high | 90 | Very high | 16 Ų | 16 | 42 Ų | 42 | 11% | 0.108 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | 180 | -67.8 | 0 | 0 | 0 | 0 | 111.6 | L10 V14 N22 V23 I29 W30 | L10-C26 HydrophobicContact CD1-CB 3.76Å; V14-C26 HydrophobicContact CG2-CB 3.84Å; N22-C26 WeakPolarHBondContact O-CB 3.07Å; N22-C26 PolarHBondContact O-N 2.97Å; N22-C26 PolarHBondContact O-SG 3.48Å; V23-C26 PolarHBondContact O-N 2.7Å; C26-I29 PolarHBondContact O-N 3.12Å; C26-W30 WeakPolarHBondContact O-CB 3.35Å; C26-W30 PolarHBondContact O-N 3.24Å |
| 27 | L | 93.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.8 | -43.6 | 175.9 | -78 | 172.9 | 0 | 0 | 0 | 112.1 | L10 V23 L25 I29 W30 I31 F42 A152 L155 I156 | L10-L27 HydrophobicContact CD1-CD2 4.32Å; L10-L27 HydrophobicContact CD2-CD2 4.04Å; V23-L27 HydrophobicContact CG1-CD1 3.78Å; V23-L27 HydrophobicContact CG1-CG 4.3Å; V23-L27 VanDerWaalsContact O-CB 3.27Å; V23-L27 WeakPolarHBondContact O-CB 3.17Å; V23-L27 VanDerWaalsContact O-CG 3.25Å; V23-L27 WeakPolarHBondContact O-CG 3.35Å; V23-L27 PolarHBondContact O-N 3.18Å; L25-L27 VanDerWaalsContact C-N 3.35Å; L25-L27 PolarHBondContact O-N 2.61Å; L27-I29 VanDerWaalsContact C-N 3.34Å; L27-I29 PolarHBondContact O-N 3.41Å; L27-W30 HydrophobicContact CD2-CE3 4.3Å; L27-W30 PolarHBondContact O-N 3.45Å; L27-I31 WeakPolarHBondContact O-CB 3.45Å; L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.11Å; L27-I31 PolarHBondContact O-N 3.49Å; L27-F42 HydrophobicContact CB-CE2 3.55Å; L27-F42 HydrophobicContact CB-CZ 3.75Å; L27-F42 HydrophobicContact CD1-CE1 4.36Å; L27-F42 HydrophobicContact CD1-CE2 4.19Å; L27-F42 HydrophobicContact CD1-CZ 3.84Å; L27-F42 HydrophobicContact CG-CZ 4.35Å; L27-A152 HydrophobicContact CD1-CB 4.15Å; L27-A152 HydrophobicContact CD2-CB 3.98Å; L27-L155 HydrophobicContact CD1-CB 4.4Å; L27-L155 HydrophobicContact CD2-CD1 3.93Å; L27-I156 HydrophobicContact CD1-CD1 4.2Å; L27-I156 HydrophobicContact CD1-CG1 3.97Å |
| 28 | N | 93.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -41.8 | 178.2 | -77.9 | -25.4 | 0 | 0 | 0 | 112.1 | Q24 L25 R32 S40 F42 G58 | Q24-N28 WeakPolarHBondContact O-CB 3.44Å; Q24-N28 VanDerWaalsContact O-CG 3.24Å; Q24-N28 PolarHBondContact O-N 3.2Å; Q24-N28 PolarHBondContact O-ND2 3.02Å; L25-N28 PolarHBondContact O-N 2.9Å; N28-R32 WeakPolarHBondContact O-CB 3.48Å; N28-R32 PolarHBondContact O-N 3.12Å; N28-R32 VanDerWaalsContact O-N 3.09Å; N28-S40 WeakPolarHBondContact CA-OG 3.25Å; N28-S40 PolarHBondContact OD1-O 3.15Å; N28-S40 PolarHBondContact OD1-OG 3.23Å; N28-F42 WeakPolarHBondContact OD1-CD2 3.49Å; N28-F42 VanDerWaalsContact OD1-CE2 3.32Å; N28-F42 WeakPolarHBondContact OD1-CE2 3.4Å; N28-G58 WeakPolarHBondContact CB-O 3.48Å; N28-G58 PolarHBondContact ND2-N 3.46Å; N28-G58 PolarHBondContact ND2-O 2.89Å |
| 29 | I | 91.6 | Very high | 89.9 | Confident | 64 Ų | 64 | 36.9 Ų | 36.9 | 33% | 0.328 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.2 | -48.3 | 175.4 | -66.8 | 166.8 | 0 | 0 | 0 | 110 | L25 C26 L27 I31 R32 E33 V59 | L25-I29 HydrophobicContact CD1-CD1 4.44Å; L25-I29 HydrophobicContact CG-CD1 4.21Å; L25-I29 WeakPolarHBondContact O-CG1 3.4Å; L25-I29 PolarHBondContact O-N 2.9Å; L25-I29 VanDerWaalsContact O-N 3.08Å; C26-I29 PolarHBondContact O-N 3.12Å; L27-I29 VanDerWaalsContact C-N 3.34Å; L27-I29 PolarHBondContact O-N 3.41Å; I29-I31 PolarHBondContact O-N 3.28Å; I29-R32 PolarHBondContact O-N 3.43Å; I29-E33 HydrophobicContact CG2-CG 4.43Å; I29-E33 WeakPolarHBondContact O-CG 3.46Å; I29-E33 PolarHBondContact O-N 3.17Å; I29-V59 HydrophobicContact CD1-CG1 4.12Å; I29-V59 HydrophobicContact CG1-CG1 3.7Å |
| 30 | W | 92.3 | Very high | 90.2 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 5% | 0.045 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | -178.3 | 177.5 | 71.1 | 0 | 0 | 0 | 113.3 | L7 L10 C26 L27 E33 S34 H148 V151 | L7-W30 HydrophobicContact CD1-CZ2 4.07Å; L10-W30 HydrophobicContact CB-CB 4.43Å; L10-W30 HydrophobicContact CB-CG 4.15Å; L10-W30 HydrophobicContact CD1-CB 4.04Å; L10-W30 HydrophobicContact CD1-CG 4.44Å; L10-W30 HydrophobicContact CD2-CB 4.21Å; L10-W30 HydrophobicContact CD2-CD2 3.57Å; L10-W30 HydrophobicContact CD2-CE3 3.75Å; L10-W30 HydrophobicContact CD2-CG 3.77Å; L10-W30 HydrophobicContact CD2-CZ3 4.28Å; L10-W30 HydrophobicContact CG-CB 4.45Å; L10-W30 HydrophobicContact CG-CG 4.33Å; C26-W30 WeakPolarHBondContact O-CB 3.35Å; C26-W30 PolarHBondContact O-N 3.24Å; L27-W30 HydrophobicContact CD2-CE3 4.3Å; L27-W30 PolarHBondContact O-N 3.45Å; W30-E33 PolarHBondContact O-N 3.27Å; W30-S34 PolarHBondContact NE1-OG 2.86Å; W30-S34 WeakPolarHBondContact O-CB 2.96Å; W30-S34 PolarHBondContact O-N 3Å; W30-S34 PolarHBondContact O-OG 3.16Å; W30-H148 AromaticContact CE2-CD2 3.95Å; W30-H148 AromaticContact CE3-CD2 3.94Å; W30-H148 HydrophobicContact CH2-CB 4Å; W30-H148 AromaticContact CH2-CD2 3.13Å; W30-H148 WeakPolarHBondContact CH2-CD2 3.31Å; W30-H148 AromaticContact CH2-CG 3.63Å; W30-H148 AromaticContact CH2-NE2 3.81Å; W30-H148 AromaticContact CZ2-CD2 3.42Å; W30-H148 VanDerWaalsContact CZ2-CD2 3.42Å; W30-H148 WeakPolarHBondContact CZ2-CD2 3.1Å; W30-H148 AromaticContact CZ2-NE2 3.62Å; W30-H148 HydrophobicContact CZ3-CB 3.95Å; W30-H148 AromaticContact CZ3-CD2 3.41Å; W30-H148 VanDerWaalsContact CZ3-CD2 3.41Å; W30-H148 WeakPolarHBondContact CZ3-CD2 3.34Å; W30-H148 AromaticContact CZ3-CG 3.93Å; W30-V151 HydrophobicContact CH2-CB 3.82Å; W30-V151 HydrophobicContact CH2-CG1 3.8Å; W30-V151 HydrophobicContact CH2-CG2 4.17Å; W30-V151 HydrophobicContact CZ3-CB 4.04Å; W30-V151 HydrophobicContact CZ3-CG1 3.9Å |
| 31 | I | 90.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 174.8 | -74.5 | 169.1 | 0 | 0 | 0 | 110.2 | L27 I29 E33 S34 L35 C37 F42 L127 | L27-I31 WeakPolarHBondContact O-CB 3.45Å; L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.11Å; L27-I31 PolarHBondContact O-N 3.49Å; I29-I31 PolarHBondContact O-N 3.28Å; I31-E33 VanDerWaalsContact C-N 3.32Å; I31-E33 PolarHBondContact O-N 2.99Å; I31-S34 PolarHBondContact O-N 3.08Å; I31-L35 HydrophobicContact CG2-CD1 4.34Å; I31-L35 WeakPolarHBondContact O-CB 3.45Å; I31-L35 PolarHBondContact O-N 3.26Å; I31-C37 PolarHBondContact O-SG 3.36Å; I31-F42 HydrophobicContact CD1-CE2 4.14Å; I31-F42 HydrophobicContact CD1-CZ 3.74Å; I31-L127 HydrophobicContact CD1-CD1 3.91Å; I31-L127 HydrophobicContact CD1-CD2 3.84Å |
| 32 | R | 89.2 | Confident | 90.7 | Very high | 148 Ų | 148 | 30.6 Ų | 30.6 | 56% | 0.558 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -62.4 | -37.2 | 178 | -176.2 | 179.8 | 171.7 | -167.6 | -1 | 113.1 | N28 I29 C37 | N28-R32 WeakPolarHBondContact O-CB 3.48Å; N28-R32 PolarHBondContact O-N 3.12Å; N28-R32 VanDerWaalsContact O-N 3.09Å; I29-R32 PolarHBondContact O-N 3.43Å; R32-C37 VanDerWaalsContact CA-SG 3.58Å |
| 33 | E | 87.6 | Confident | 90.7 | Very high | 111 Ų | 111 | 29 Ų | 29 | 52% | 0.519 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -77.8 | -33.3 | 179.4 | -71.6 | -178.7 | 175.1 | 0 | 0 | 112.7 | R6 I29 W30 I31 | R6-E33 PolarHBondContact NH1-O 3.27Å; I29-E33 HydrophobicContact CG2-CG 4.43Å; I29-E33 WeakPolarHBondContact O-CG 3.46Å; I29-E33 PolarHBondContact O-N 3.17Å; W30-E33 PolarHBondContact O-N 3.27Å; I31-E33 VanDerWaalsContact C-N 3.32Å; I31-E33 PolarHBondContact O-N 2.99Å |
| 34 | S | 85.9 | Confident | 90.5 | Very high | 22 Ų | 22 | 30 Ų | 30 | 15% | 0.154 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -96.5 | -22.2 | -170.6 | -52.3 | 0 | 0 | 0 | 0 | 114.2 | W30 I31 H148 | W30-S34 PolarHBondContact NE1-OG 2.86Å; W30-S34 WeakPolarHBondContact O-CB 2.96Å; W30-S34 PolarHBondContact O-N 3Å; W30-S34 PolarHBondContact O-OG 3.16Å; I31-S34 PolarHBondContact O-N 3.08Å; S34-H148 WeakPolarHBondContact CB-NE2 3.32Å |
| 35 | L | 84.9 | Confident | 90 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -120.8 | 147.2 | 176.5 | -58.2 | 175.9 | 0 | 0 | 0 | 109.9 | I31 C37 L140 L144 L145 H148 | I31-L35 HydrophobicContact CG2-CD1 4.34Å; I31-L35 WeakPolarHBondContact O-CB 3.45Å; I31-L35 PolarHBondContact O-N 3.26Å; L35-C37 PolarHBondContact O-N 3.5Å; L35-L140 HydrophobicContact CD2-CD1 4.07Å; L35-L140 HydrophobicContact CD2-CD2 4.43Å; L35-L144 HydrophobicContact CD2-CD2 3.94Å; L35-L144 HydrophobicContact CD2-CG 4.05Å; L35-L145 HydrophobicContact CD1-CD1 3.74Å; L35-H148 HydrophobicContact CD1-CB 4.1Å |
| 36 | P | 82.2 | Confident | 88.7 | Confident | 51 Ų | 51 | 31 Ų | 31 | 33% | 0.331 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -73.9 | 66.6 | 177.5 | 35.3 | -38.7 | 0 | 0 | 0 | 111.2 | T136 L140 | P36-T136 HydrophobicContact CB-CG2 3.46Å; P36-T136 VanDerWaalsContact CB-CG2 3.46Å; P36-T136 HydrophobicContact CG-CG2 3.59Å; P36-T136 VanDerWaalsContact O-CG2 3.31Å; P36-T136 WeakPolarHBondContact O-CG2 3.3Å; P36-L140 HydrophobicContact CG-CD1 3.69Å |
| 37 | C | 85.8 | Confident | 87.3 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.027 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 156.6 | 178.8 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | I31 R32 L35 I129 R130 | I31-C37 PolarHBondContact O-SG 3.36Å; R32-C37 VanDerWaalsContact CA-SG 3.58Å; L35-C37 PolarHBondContact O-N 3.5Å; C37-I129 HydrophobicContact CB-CG2 3.59Å; C37-R130 WeakPolarHBondContact CB-O 3.3Å |
| 38 | E | 87.1 | Confident | 85.5 | Confident | 86 Ų | 86 | 38.4 Ų | 38.4 | 40% | 0.402 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -46.4 | -179.7 | -171.2 | -178.9 | 171 | 0 | 0 | 110.4 | R130 | E38-R130 HydrophobicContact CB-CG 4.44Å; E38-R130 VanDerWaalsContact CD-CZ 3.49Å; E38-R130 PolarHBondContact N-O 3.4Å; E38-R130 IonicContact OE1-CZ 2.63Å; E38-R130 IonicContact OE1-NE 3.7Å; E38-R130 IonicContact OE1-NH2 3.87Å; E38-R130 PolarHBondContact OE1-NH2 2.7Å; E38-R130 IonicContact OE2-CZ 2.88Å; E38-R130 IonicContact OE2-NE 3.07Å; E38-R130 PolarHBondContact OE2-NE 2.95Å; E38-R130 IonicContact OE2-NH2 3.06Å; E38-R130 PolarHBondContact OE2-NH2 3.12Å |
| 39 | E | 91.2 | Very high | 83.9 | Confident | 30 Ų | 30 | 40.1 Ų | 40.1 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 153.2 | -174.7 | -159.5 | 175.2 | -154.7 | 0 | 0 | 110.3 | R57 F101 R130 | E39-R57 HydrophobicContact CG-CG 4.25Å; E39-R57 WeakPolarHBondContact OE1-CG 3.4Å; E39-R57 IonicContact OE1-NE 2.74Å; E39-R57 PolarHBondContact OE1-NE 3.18Å; E39-R57 VanDerWaalsContact OE1-NE 3.08Å; E39-R57 IonicContact OE2-NE 3.62Å; E39-R57 PolarHBondContact OE2-NE 2.92Å; E39-F101 HydrophobicContact CB-CD1 4.43Å; E39-F101 HydrophobicContact CB-CE1 4.11Å; E39-F101 HydrophobicContact CG-CE1 4.21Å; E39-F101 WeakPolarHBondContact OE2-CD1 3.4Å; E39-R130 WeakPolarHBondContact O-CB 3.45Å; E39-R130 PolarHBondContact O-N 2.66Å |
| 40 | S | 94 | Very high | 82.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 159.2 | 172.5 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | N28 G58 F128 | N28-S40 WeakPolarHBondContact CA-OG 3.25Å; N28-S40 PolarHBondContact OD1-O 3.15Å; N28-S40 PolarHBondContact OD1-OG 3.23Å; S40-G58 PolarHBondContact O-N 3.38Å; S40-F128 CarbonylContact C-O 3.39Å; S40-F128 WeakPolarHBondContact CA-O 3.42Å; S40-F128 WeakPolarHBondContact CB-O 3.25Å |
| 41 | A | 94.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 145.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V54 R57 I100 F101 F128 | A41-V54 HydrophobicContact CB-CG1 4.05Å; A41-R57 HydrophobicContact CB-CB 4.42Å; A41-R57 HydrophobicContact CB-CG 4.2Å; A41-I100 HydrophobicContact CB-CG2 3.74Å; A41-F101 HydrophobicContact CB-CE1 4.38Å; A41-F101 HydrophobicContact CB-CZ 4.13Å; A41-F128 PolarHBondContact N-O 3.31Å; A41-F128 PolarHBondContact O-N 2.95Å |
| 42 | F | 93.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.1 | 176 | -69.3 | -87.9 | 0 | 0 | 0 | 110.1 | Q24 L27 N28 I31 I44 I115 L126 L127 A152 I156 | Q24-F42 HydrophobicContact CG-CB 4.09Å; Q24-F42 HydrophobicContact CG-CD2 4.41Å; Q24-F42 HydrophobicContact CG-CG 4.48Å; Q24-F42 PolarHBondContact NE2-O 3.49Å; L27-F42 HydrophobicContact CB-CE2 3.55Å; L27-F42 HydrophobicContact CB-CZ 3.75Å; L27-F42 HydrophobicContact CD1-CE1 4.36Å; L27-F42 HydrophobicContact CD1-CE2 4.19Å; L27-F42 HydrophobicContact CD1-CZ 3.84Å; L27-F42 HydrophobicContact CG-CZ 4.35Å; N28-F42 WeakPolarHBondContact OD1-CD2 3.49Å; N28-F42 VanDerWaalsContact OD1-CE2 3.32Å; N28-F42 WeakPolarHBondContact OD1-CE2 3.4Å; I31-F42 HydrophobicContact CD1-CE2 4.14Å; I31-F42 HydrophobicContact CD1-CZ 3.74Å; F42-I44 HydrophobicContact CB-CD1 4.38Å; F42-I115 HydrophobicContact CD1-CD1 3.68Å; F42-I115 HydrophobicContact CE1-CD1 3.77Å; F42-L126 CarbonylContact C-O 3.54Å; F42-L126 VanDerWaalsContact CA-O 3.28Å; F42-L126 WeakPolarHBondContact CA-O 3.34Å; F42-L127 HydrophobicContact CD1-CB 3.99Å; F42-L127 HydrophobicContact CD1-CD1 4.09Å; F42-L127 HydrophobicContact CD2-CD1 4.44Å; F42-L127 HydrophobicContact CE1-CB 3.8Å; F42-L127 HydrophobicContact CE1-CD1 3.7Å; F42-L127 HydrophobicContact CE1-CD2 4.05Å; F42-L127 HydrophobicContact CE1-CG 4.05Å; F42-L127 HydrophobicContact CE2-CD1 4.04Å; F42-L127 HydrophobicContact CG-CD1 4.47Å; F42-L127 HydrophobicContact CZ-CD1 3.67Å; F42-L127 HydrophobicContact CZ-CD2 4.22Å; F42-L127 HydrophobicContact CZ-CG 4.38Å; F42-A152 HydrophobicContact CE1-CB 3.88Å; F42-A152 HydrophobicContact CZ-CB 3.87Å; F42-I156 HydrophobicContact CB-CD1 4.36Å; F42-I156 HydrophobicContact CD1-CD1 3.23Å; F42-I156 HydrophobicContact CE1-CD1 3.5Å; F42-I156 HydrophobicContact CG-CD1 3.87Å; F42-I156 HydrophobicContact CZ-CD1 4.35Å |
| 43 | A | 91.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | C52 H53 V54 A68 G125 L126 F128 | A43-C52 HydrophobicContact CB-CB 4.13Å; A43-H53 CarbonylContact C-O 3.39Å; A43-H53 WeakPolarHBondContact CA-O 3.44Å; A43-V54 HydrophobicContact CB-CG2 3.65Å; A43-A68 HydrophobicContact CB-CB 3.9Å; A43-G125 CarbonylContact O-C 3.54Å; A43-G125 WeakPolarHBondContact O-CA 3.35Å; A43-L126 HydrophobicContact CB-CB 4.23Å; A43-L126 HydrophobicContact CB-CD1 4.46Å; A43-L126 PolarHBondContact N-O 3.04Å; A43-L126 PolarHBondContact O-N 3.35Å; A43-F128 HydrophobicContact CB-CE2 3.84Å |
| 44 | I | 88.9 | Confident | 82.3 | Confident | 22 Ų | 22 | 33.8 Ų | 33.8 | 11% | 0.113 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 142.5 | 179.2 | -53.9 | -60.6 | 0 | 0 | 0 | 108.6 | M20 F42 S46 C52 H53 I156 | M20-I44 HydrophobicContact CE-CG2 4.3Å; M20-I44 HydrophobicContact CG-CG1 4.28Å; M20-I44 HydrophobicContact SD-CD1 3.85Å; M20-I44 HydrophobicContact SD-CG1 3.87Å; F42-I44 HydrophobicContact CB-CD1 4.38Å; I44-S46 PolarHBondContact O-N 2.71Å; I44-C52 WeakPolarHBondContact O-CA 3.34Å; I44-H53 PolarHBondContact N-O 2.86Å; I44-H53 PolarHBondContact O-N 3.31Å; I44-I156 HydrophobicContact CD1-CD1 3.94Å; I44-I156 HydrophobicContact CD1-CG1 4.5Å; I44-I156 HydrophobicContact CD1-CG2 3.89Å |
| 45 | I | 82.5 | Confident | 82.5 | Confident | 34 Ų | 34 | 35.8 Ų | 35.8 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 116.2 | 174.4 | -62.9 | 175.3 | 0 | 0 | 0 | 107.3 | V71 L123 V124 | I45-V71 HydrophobicContact CB-CG2 4.17Å; I45-V71 HydrophobicContact CD1-CB 4.46Å; I45-V71 HydrophobicContact CD1-CG1 3.76Å; I45-V71 HydrophobicContact CD1-CG2 3.94Å; I45-V71 HydrophobicContact CG1-CG2 3.83Å; I45-V71 HydrophobicContact CG2-CG2 3.41Å; I45-V71 VanDerWaalsContact CG2-CG2 3.41Å; I45-L123 HydrophobicContact CD1-CB 4.19Å; I45-L123 HydrophobicContact CD1-CD2 3.93Å; I45-L123 HydrophobicContact CD1-CG 3.79Å; I45-L123 WeakPolarHBondContact CD1-O 3.21Å; I45-V124 PolarHBondContact N-O 3.42Å |
| 46 | S | 68.3 | Low | 82.8 | Confident | 41 Ų | 41 | 35.9 Ų | 35.9 | 29% | 0.287 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -68.1 | 136.6 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 109.5 | I44 D48 S49 N51 | I44-S46 PolarHBondContact O-N 2.71Å; S46-D48 PolarHBondContact O-N 3.27Å; S46-D48 PolarHBondContact OG-N 2.85Å; S46-D48 VanDerWaalsContact OG-N 3.16Å; S46-S49 WeakPolarHBondContact CB-OG 3.44Å; S46-N51 PolarHBondContact N-O 3.48Å |
| 47 | S | 62.8 | Low | 83.3 | Confident | 106 Ų | 106 | 34.9 Ų | 34.9 | 74% | 0.741 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25.5 | 170.4 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | ||
| 48 | D | 56.6 | Low | 83.5 | Confident | 66 Ų | 66 | 35.1 Ų | 35.1 | 35% | 0.353 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -7.7 | -166.9 | -54.5 | -22.3 | 0 | 0 | 0 | 112.8 | S46 N321 | S46-D48 PolarHBondContact O-N 3.27Å; S46-D48 PolarHBondContact OG-N 2.85Å; S46-D48 VanDerWaalsContact OG-N 3.16Å; D48-N321 WeakPolarHBondContact OD1-CB 3.47Å; D48-N321 PolarHBondContact OD1-ND2 3.48Å |
| 49 | S | 59.8 | Low | 83.6 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 27% | 0.273 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -148 | 145.4 | -180 | 63 | 0 | 0 | 0 | 0 | 111.1 | S46 N51 | S46-S49 WeakPolarHBondContact CB-OG 3.44Å; S49-N51 PolarHBondContact O-N 3.19Å |
| 50 | E | 71.3 | Confident | 83.6 | Confident | 114 Ų | 114 | 38 Ų | 38 | 53% | 0.533 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -70.2 | 30.1 | 172.2 | -62.3 | -160.6 | 150.1 | 0 | 0 | 112.8 | R70 V71 | E50-R70 CarbonylContact O-C 3.55Å; E50-R70 WeakPolarHBondContact O-CA 3.28Å; E50-V71 WeakPolarHBondContact O-CG2 3.45Å; E50-V71 PolarHBondContact O-N 3.01Å |
| 51 | N | 80.9 | Confident | 83.4 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143.9 | -172.2 | -64.6 | -48.4 | 0 | 0 | 0 | 111.5 | S46 S49 H53 H67 G69 R70 | S46-N51 PolarHBondContact N-O 3.48Å; S49-N51 PolarHBondContact O-N 3.19Å; N51-H53 WeakPolarHBondContact CB-NE2 3.3Å; N51-H67 PolarHBondContact OD1-CE1 3.49Å; N51-G69 WeakPolarHBondContact CA-O 3.47Å; N51-R70 WeakPolarHBondContact OD1-CG 3.37Å |
| 52 | C | 86.4 | Confident | 83 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137.2 | 171.9 | -51.6 | 0 | 0 | 0 | 0 | 109.3 | A43 I44 A68 G69 | A43-C52 HydrophobicContact CB-CB 4.13Å; I44-C52 WeakPolarHBondContact O-CA 3.34Å; C52-A68 HydrophobicContact CB-CB 4.03Å; C52-A68 PolarHBondContact O-N 3.46Å; C52-G69 PolarHBondContact N-O 3.46Å |
| 53 | H | 88.6 | Confident | 82.5 | Confident | 45 Ų | 45 | 51.3 Ų | 51.3 | 21% | 0.208 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141.8 | 178.7 | -68.6 | -92.7 | 0 | 0 | 0 | 111.6 | A43 I44 N51 I66 H67 | A43-H53 CarbonylContact C-O 3.39Å; A43-H53 WeakPolarHBondContact CA-O 3.44Å; I44-H53 PolarHBondContact N-O 2.86Å; I44-H53 PolarHBondContact O-N 3.31Å; N51-H53 WeakPolarHBondContact CB-NE2 3.3Å; H53-I66 CarbonylContact C-O 3.51Å; H53-I66 WeakPolarHBondContact CA-O 3.45Å; H53-H67 AromaticContact CE1-ND1 3.6Å; H53-H67 AromaticContact NE2-ND1 3.81Å |
| 54 | V | 90.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 119.3 | 173 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | A41 A43 I56 L62 T65 I66 A68 I100 | A41-V54 HydrophobicContact CB-CG1 4.05Å; A43-V54 HydrophobicContact CB-CG2 3.65Å; V54-I56 WeakPolarHBondContact CG1-O 3.05Å; V54-L62 HydrophobicContact CB-CD1 4.49Å; V54-L62 HydrophobicContact CG1-CD1 3.9Å; V54-T65 WeakPolarHBondContact O-CA 3Å; V54-I66 HydrophobicContact CB-CB 4.32Å; V54-I66 PolarHBondContact N-O 3.12Å; V54-I66 PolarHBondContact O-N 2.88Å; V54-A68 HydrophobicContact CG2-CB 4.28Å; V54-I100 HydrophobicContact CG1-CG2 4.4Å; V54-I100 HydrophobicContact CG2-CD1 3.74Å; V54-I100 HydrophobicContact CG2-CG1 3.91Å; V54-I100 HydrophobicContact CG2-CG2 4.45Å |
| 55 | Q | 89.9 | Confident | 82 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 30% | 0.304 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -28.8 | 178.6 | -55.4 | -172.7 | -25.2 | 0 | 0 | 111.7 | L62 T65 | Q55-L62 WeakPolarHBondContact O-CB 3.36Å; Q55-L62 PolarHBondContact O-N 3.23Å; Q55-T65 HydrophobicContact CB-CG2 4.3Å; Q55-T65 HydrophobicContact CG-CG2 3.7Å |
| 56 | I | 91.6 | Very high | 82.2 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131.6 | -179.5 | -56.2 | -168.5 | 0 | 0 | 0 | 110.4 | E21 Q24 L25 V54 H60 | E21-I56 HydrophobicContact CB-CD1 3.93Å; E21-I56 WeakPolarHBondContact O-CD1 3.42Å; Q24-I56 HydrophobicContact CB-CB 4.17Å; Q24-I56 HydrophobicContact CB-CD1 3.98Å; Q24-I56 HydrophobicContact CB-CG1 4.36Å; L25-I56 HydrophobicContact CB-CD1 4.16Å; L25-I56 HydrophobicContact CD1-CG2 4.42Å; V54-I56 WeakPolarHBondContact CG1-O 3.05Å; I56-H60 WeakPolarHBondContact CA-O 3.49Å |
| 57 | R | 92.1 | Very high | 83.1 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 12% | 0.117 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118.1 | 171.9 | -173.4 | -168.5 | 78.5 | -162.3 | -0.6 | 109.1 | E39 A41 V59 H60 L62 I100 F101 Q102 | E39-R57 HydrophobicContact CG-CG 4.25Å; E39-R57 WeakPolarHBondContact OE1-CG 3.4Å; E39-R57 IonicContact OE1-NE 2.74Å; E39-R57 PolarHBondContact OE1-NE 3.18Å; E39-R57 VanDerWaalsContact OE1-NE 3.08Å; E39-R57 IonicContact OE2-NE 3.62Å; E39-R57 PolarHBondContact OE2-NE 2.92Å; A41-R57 HydrophobicContact CB-CB 4.42Å; A41-R57 HydrophobicContact CB-CG 4.2Å; R57-V59 PolarHBondContact O-N 3.14Å; R57-V59 VanDerWaalsContact O-N 3.11Å; R57-H60 PolarHBondContact N-O 3.43Å; R57-H60 WeakPolarHBondContact O-CB 3.23Å; R57-H60 PolarHBondContact O-N 3.45Å; R57-L62 HydrophobicContact CB-CD1 4.09Å; R57-L62 HydrophobicContact CB-CD2 4.49Å; R57-L62 HydrophobicContact CB-CG 4.47Å; R57-I100 WeakPolarHBondContact CD-O 3.49Å; R57-I100 PolarHBondContact NH1-O 2.88Å; R57-I100 VanDerWaalsContact NH1-O 3.09Å; R57-F101 HydrophobicContact CG-CD1 4.29Å; R57-F101 HydrophobicContact CG-CE1 4.32Å; R57-Q102 VanDerWaalsContact NH1-CD 3.34Å |
| 58 | G | 90.3 | Very high | 84.3 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -117 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | N28 S40 | N28-G58 WeakPolarHBondContact CB-O 3.48Å; N28-G58 PolarHBondContact ND2-N 3.46Å; N28-G58 PolarHBondContact ND2-O 2.89Å; S40-G58 PolarHBondContact O-N 3.38Å |
| 59 | V | 89.9 | Confident | 85.7 | Confident | 70 Ų | 70 | 51.3 Ų | 51.3 | 42% | 0.424 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 6 | 177 | -62.7 | 0 | 0 | 0 | 0 | 113.8 | L25 I29 R57 | L25-V59 HydrophobicContact CD1-CB 4.27Å; I29-V59 HydrophobicContact CD1-CG1 4.12Å; I29-V59 HydrophobicContact CG1-CG1 3.7Å; R57-V59 PolarHBondContact O-N 3.14Å; R57-V59 VanDerWaalsContact O-N 3.11Å |
| 60 | H | 91.1 | Very high | 86.8 | Confident | 106 Ų | 106 | 54.5 Ų | 54.5 | 49% | 0.491 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.4 | -173.4 | -58.9 | -68.6 | 0 | 0 | 0 | 111.6 | I56 R57 | I56-H60 WeakPolarHBondContact CA-O 3.49Å; R57-H60 PolarHBondContact N-O 3.43Å; R57-H60 WeakPolarHBondContact O-CB 3.23Å; R57-H60 PolarHBondContact O-N 3.45Å |
| 61 | K | 89.6 | Confident | 87.4 | Confident | 133 Ų | 133 | 49.5 Ų | 49.5 | 58% | 0.578 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 128.5 | 166 | -176.1 | 172.6 | -178.9 | 164.7 | 0 | 109.8 | E21 | E21-K61 WeakPolarHBondContact OE1-CE 3.49Å; E21-K61 IonicContact OE1-NZ 2.79Å; E21-K61 PolarHBondContact OE1-NZ 2.97Å; E21-K61 WeakPolarHBondContact OE2-CE 3.5Å; E21-K61 IonicContact OE2-NZ 3.79Å; E21-K61 PolarHBondContact OE2-NZ 3.1Å |
| 62 | L | 87 | Confident | 87.5 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 14% | 0.141 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 130 | -177.6 | -59 | 170.1 | 0 | 0 | 0 | 110.3 | V54 Q55 R57 P64 I66 | V54-L62 HydrophobicContact CB-CD1 4.49Å; V54-L62 HydrophobicContact CG1-CD1 3.9Å; Q55-L62 WeakPolarHBondContact O-CB 3.36Å; Q55-L62 PolarHBondContact O-N 3.23Å; R57-L62 HydrophobicContact CB-CD1 4.09Å; R57-L62 HydrophobicContact CB-CD2 4.49Å; R57-L62 HydrophobicContact CB-CG 4.47Å; L62-P64 CarbonylContact C-O 3.53Å; L62-I66 HydrophobicContact CD1-CD1 3.65Å; L62-I66 HydrophobicContact CD1-CG1 3.95Å; L62-I66 HydrophobicContact CD2-CD1 4.46Å |
| 63 | S | 82.9 | Confident | 87.5 | Confident | 119 Ų | 119 | 56.5 Ų | 56.5 | 83% | 0.832 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 110.8 | 172.5 | -171.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 64 | P | 83.3 | Confident | 87.5 | Confident | 116 Ų | 116 | 54.4 Ų | 54.4 | 75% | 0.753 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -72.6 | 166.5 | 1 | 32.2 | -35.9 | 0 | 0 | 0 | 113.3 | L62 | L62-P64 CarbonylContact C-O 3.53Å |
| 65 | T | 85.7 | Confident | 87.2 | Confident | 63 Ų | 63 | 60.2 Ų | 60.2 | 39% | 0.387 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 146.6 | 174.4 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | V54 Q55 | V54-T65 WeakPolarHBondContact O-CA 3Å; Q55-T65 HydrophobicContact CB-CG2 4.3Å; Q55-T65 HydrophobicContact CG-CG2 3.7Å |
| 66 | I | 88.2 | Confident | 87 | Confident | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 125.6 | -179.4 | -63.9 | 175.1 | 0 | 0 | 0 | 109.2 | H53 V54 L62 A68 I100 | H53-I66 CarbonylContact C-O 3.51Å; H53-I66 WeakPolarHBondContact CA-O 3.45Å; V54-I66 HydrophobicContact CB-CB 4.32Å; V54-I66 PolarHBondContact N-O 3.12Å; V54-I66 PolarHBondContact O-N 2.88Å; L62-I66 HydrophobicContact CD1-CD1 3.65Å; L62-I66 HydrophobicContact CD1-CG1 3.95Å; L62-I66 HydrophobicContact CD2-CD1 4.46Å; I66-A68 PolarHBondContact O-N 2.91Å; I66-I100 HydrophobicContact CG2-CG1 4.04Å |
| 67 | H | 86.5 | Confident | 86.8 | Confident | 67 Ų | 67 | 63.4 Ų | 63.4 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 122.7 | 172.8 | -179.6 | 60 | 0 | 0 | 0 | 111 | N51 H53 G69 | N51-H67 PolarHBondContact OD1-CE1 3.49Å; H53-H67 AromaticContact CE1-ND1 3.6Å; H53-H67 AromaticContact NE2-ND1 3.81Å; H67-G69 PolarHBondContact CE1-N 3.16Å; H67-G69 VanDerWaalsContact NE2-CA 3.32Å; H67-G69 WeakPolarHBondContact NE2-CA 3.41Å; H67-G69 PolarHBondContact NE2-N 3.11Å |
| 68 | A | 87.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 14.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A43 C52 V54 I66 W74 I100 | A43-A68 HydrophobicContact CB-CB 3.9Å; C52-A68 HydrophobicContact CB-CB 4.03Å; C52-A68 PolarHBondContact O-N 3.46Å; V54-A68 HydrophobicContact CG2-CB 4.28Å; I66-A68 PolarHBondContact O-N 2.91Å; A68-W74 WeakPolarHBondContact O-CZ2 3.43Å; A68-W74 PolarHBondContact O-NE1 2.99Å; A68-I100 HydrophobicContact CB-CD1 4.24Å |
| 69 | G | 85.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 95.1 | 177.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N51 C52 H67 Y96 | N51-G69 WeakPolarHBondContact CA-O 3.47Å; C52-G69 PolarHBondContact N-O 3.46Å; H67-G69 PolarHBondContact CE1-N 3.16Å; H67-G69 VanDerWaalsContact NE2-CA 3.32Å; H67-G69 WeakPolarHBondContact NE2-CA 3.41Å; H67-G69 PolarHBondContact NE2-N 3.11Å; G69-Y96 VanDerWaalsContact CA-CE2 3.47Å |
| 70 | R | 83.7 | Confident | 85.4 | Confident | 107 Ų | 107 | 77 Ų | 77 | 40% | 0.404 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 142.3 | 179.4 | -71.8 | -176.4 | 179 | -170.9 | -4.8 | 112 | E50 N51 Q72 L73 D261 | E50-R70 CarbonylContact O-C 3.55Å; E50-R70 WeakPolarHBondContact O-CA 3.28Å; N51-R70 WeakPolarHBondContact OD1-CG 3.37Å; R70-Q72 VanDerWaalsContact C-N 3.27Å; R70-Q72 PolarHBondContact O-N 2.93Å; R70-L73 HydrophobicContact CB-CD1 4.29Å; R70-L73 HydrophobicContact CB-CG 4.42Å; R70-L73 WeakPolarHBondContact O-CB 3.35Å; R70-L73 PolarHBondContact O-N 3.38Å; R70-L73 VanDerWaalsContact O-N 3.13Å; R70-D261 IonicContact NH2-OD1 2.89Å |
| 71 | V | 83.3 | Confident | 84.9 | Confident | 9 Ų | 9 | 73.5 Ų | 73.5 | 6% | 0.055 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -54.7 | -41.6 | 179 | 176.2 | 0 | 0 | 0 | 0 | 112 | I45 E50 L73 W74 R75 | I45-V71 HydrophobicContact CB-CG2 4.17Å; I45-V71 HydrophobicContact CD1-CB 4.46Å; I45-V71 HydrophobicContact CD1-CG1 3.76Å; I45-V71 HydrophobicContact CD1-CG2 3.94Å; I45-V71 HydrophobicContact CG1-CG2 3.83Å; I45-V71 HydrophobicContact CG2-CG2 3.41Å; I45-V71 VanDerWaalsContact CG2-CG2 3.41Å; E50-V71 WeakPolarHBondContact O-CG2 3.45Å; E50-V71 PolarHBondContact O-N 3.01Å; V71-L73 VanDerWaalsContact C-N 3.28Å; V71-L73 PolarHBondContact O-N 3.44Å; V71-W74 PolarHBondContact O-N 2.87Å; V71-W74 VanDerWaalsContact O-N 3.17Å; V71-R75 HydrophobicContact CG1-CG 4.13Å; V71-R75 PolarHBondContact O-N 3.27Å |
| 72 | Q | 83.3 | Confident | 84.4 | Confident | 120 Ų | 120 | 71.6 Ų | 71.6 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.8 | -34.6 | -178.1 | -62.6 | -166.4 | 6.1 | 0 | 0 | 113.1 | R70 W74 R75 H76 | R70-Q72 VanDerWaalsContact C-N 3.27Å; R70-Q72 PolarHBondContact O-N 2.93Å; Q72-W74 VanDerWaalsContact C-N 3.35Å; Q72-R75 PolarHBondContact O-N 3.35Å; Q72-H76 WeakPolarHBondContact O-CB 3.42Å; Q72-H76 PolarHBondContact O-N 3.22Å |
| 73 | L | 86.3 | Confident | 84.5 | Confident | 70 Ų | 70 | 74 Ų | 74 | 37% | 0.366 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 177.4 | -67.7 | 170.4 | 0 | 0 | 0 | 110.7 | R70 V71 H76 A77 | R70-L73 HydrophobicContact CB-CD1 4.29Å; R70-L73 HydrophobicContact CB-CG 4.42Å; R70-L73 WeakPolarHBondContact O-CB 3.35Å; R70-L73 PolarHBondContact O-N 3.38Å; R70-L73 VanDerWaalsContact O-N 3.13Å; V71-L73 VanDerWaalsContact C-N 3.28Å; V71-L73 PolarHBondContact O-N 3.44Å; L73-H76 PolarHBondContact O-N 2.87Å; L73-A77 PolarHBondContact O-N 3.41Å; L73-A77 VanDerWaalsContact O-N 3.12Å |
| 74 | W | 88.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.9 | -45.1 | 177.2 | -65.9 | 107.4 | 0 | 0 | 0 | 112 | A68 V71 Q72 H76 A77 F78 L89 M93 V97 L123 L126 F128 | A68-W74 WeakPolarHBondContact O-CZ2 3.43Å; A68-W74 PolarHBondContact O-NE1 2.99Å; V71-W74 PolarHBondContact O-N 2.87Å; V71-W74 VanDerWaalsContact O-N 3.17Å; Q72-W74 VanDerWaalsContact C-N 3.35Å; W74-H76 PolarHBondContact O-N 3.39Å; W74-A77 PolarHBondContact O-N 3.38Å; W74-F78 AromaticContact CE3-CE2 3.76Å; W74-F78 HydrophobicContact CE3-CE2 3.76Å; W74-F78 HydrophobicContact CZ3-CE2 4.39Å; W74-F78 VanDerWaalsContact O-CD2 3.3Å; W74-F78 WeakPolarHBondContact O-CD2 3.41Å; W74-F78 PolarHBondContact O-N 2.86Å; W74-L89 HydrophobicContact CZ3-CD2 4.28Å; W74-M93 HydrophobicContact CD2-CE 3.47Å; W74-M93 VanDerWaalsContact CD2-CE 3.47Å; W74-M93 HydrophobicContact CE3-CE 2.99Å; W74-M93 HydrophobicContact CG-CE 4.29Å; W74-M93 HydrophobicContact CH2-CB 4.2Å; W74-M93 HydrophobicContact CH2-CE 3.7Å; W74-M93 HydrophobicContact CZ2-CE 4.1Å; W74-M93 HydrophobicContact CZ3-CE 3.13Å; W74-V97 HydrophobicContact CH2-CG2 4.08Å; W74-L123 HydrophobicContact CB-CD2 4.11Å; W74-L126 HydrophobicContact CB-CD1 4.04Å; W74-L126 HydrophobicContact CB-CD2 4.33Å; W74-L126 HydrophobicContact CD2-CD1 3.23Å; W74-L126 HydrophobicContact CD2-CD2 4.46Å; W74-L126 HydrophobicContact CD2-CG 4.46Å; W74-L126 HydrophobicContact CE3-CD1 3.64Å; W74-L126 HydrophobicContact CE3-CD2 4.3Å; W74-L126 HydrophobicContact CG-CD1 3.41Å; W74-L126 VanDerWaalsContact CG-CD1 3.41Å; W74-L126 HydrophobicContact CH2-CD1 4.49Å; W74-L126 HydrophobicContact CZ2-CD1 4.16Å; W74-L126 HydrophobicContact CZ3-CD1 4.25Å; W74-F128 AromaticContact CH2-CE1 3.59Å; W74-F128 HydrophobicContact CH2-CE1 3.59Å; W74-F128 AromaticContact CH2-CZ 3.58Å; W74-F128 HydrophobicContact CH2-CZ 3.58Å; W74-F128 HydrophobicContact CZ2-CE1 4.36Å; W74-F128 AromaticContact CZ2-CZ 3.9Å; W74-F128 HydrophobicContact CZ2-CZ 3.9Å; W74-F128 AromaticContact CZ3-CE1 3.91Å; W74-F128 HydrophobicContact CZ3-CE1 3.91Å; W74-F128 HydrophobicContact CZ3-CZ 4.06Å |
| 75 | R | 85 | Confident | 85 | Confident | 122 Ų | 122 | 65.4 Ų | 65.4 | 46% | 0.46 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.2 | -38.8 | 174.1 | -75.7 | -175.7 | -179.3 | 169.1 | -0.1 | 112.3 | V71 Q72 R79 L123 | V71-R75 HydrophobicContact CG1-CG 4.13Å; V71-R75 PolarHBondContact O-N 3.27Å; Q72-R75 PolarHBondContact O-N 3.35Å; R75-R79 WeakPolarHBondContact O-CG 3.4Å; R75-L123 HydrophobicContact CG-CB 4.17Å; R75-L123 HydrophobicContact CG-CD2 3.85Å |
| 76 | H | 86.3 | Confident | 85.2 | Confident | 117 Ų | 117 | 62.7 Ų | 62.7 | 54% | 0.542 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.5 | -42.7 | 176.9 | -173 | 76.7 | 0 | 0 | 0 | 112.1 | Q72 L73 W74 F78 R79 | Q72-H76 WeakPolarHBondContact O-CB 3.42Å; Q72-H76 PolarHBondContact O-N 3.22Å; L73-H76 PolarHBondContact O-N 2.87Å; W74-H76 PolarHBondContact O-N 3.39Å; H76-F78 PolarHBondContact O-N 3.02Å; H76-R79 PolarHBondContact ND1-NH1 3.5Å; H76-R79 WeakPolarHBondContact O-CB 3.42Å; H76-R79 WeakPolarHBondContact O-CG 3.36Å; H76-R79 PolarHBondContact O-N 3.42Å |
| 77 | A | 85.8 | Confident | 85.1 | Confident | 22 Ų | 22 | 66.9 Ų | 66.9 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.2 | -37.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L73 W74 R79 L84 M93 | L73-A77 PolarHBondContact O-N 3.41Å; L73-A77 VanDerWaalsContact O-N 3.12Å; W74-A77 PolarHBondContact O-N 3.38Å; A77-R79 VanDerWaalsContact C-N 3.29Å; A77-R79 PolarHBondContact O-N 2.69Å; A77-L84 HydrophobicContact CB-CD1 3.74Å; A77-M93 HydrophobicContact CB-CE 3.62Å; A77-M93 HydrophobicContact CB-SD 4.07Å |
| 78 | F | 87.4 | Confident | 85.1 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 2% | 0.022 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -84.7 | 9 | 179.4 | -70.9 | -76.4 | 0 | 0 | 0 | 114.3 | W74 H76 Q80 G81 D82 L84 S112 A114 L126 | W74-F78 AromaticContact CE3-CE2 3.76Å; W74-F78 HydrophobicContact CE3-CE2 3.76Å; W74-F78 HydrophobicContact CZ3-CE2 4.39Å; W74-F78 VanDerWaalsContact O-CD2 3.3Å; W74-F78 WeakPolarHBondContact O-CD2 3.41Å; W74-F78 PolarHBondContact O-N 2.86Å; H76-F78 PolarHBondContact O-N 3.02Å; F78-Q80 PolarHBondContact O-N 3.34Å; F78-Q80 VanDerWaalsContact O-N 3.14Å; F78-G81 CarbonylContact C-O 3.59Å; F78-G81 WeakPolarHBondContact CA-O 3.32Å; F78-G81 VanDerWaalsContact CD1-O 3.31Å; F78-G81 WeakPolarHBondContact CD1-O 3.23Å; F78-G81 PolarHBondContact O-N 3.35Å; F78-G81 VanDerWaalsContact O-O 3.05Å; F78-D82 VanDerWaalsContact CE1-O 3.3Å; F78-D82 WeakPolarHBondContact CE1-O 3.47Å; F78-L84 HydrophobicContact CD1-CD1 3.87Å; F78-L84 HydrophobicContact CD1-CG 3.94Å; F78-L84 HydrophobicContact CD2-CD1 4.35Å; F78-L84 HydrophobicContact CE1-CB 4.14Å; F78-L84 HydrophobicContact CE1-CD1 3.77Å; F78-L84 HydrophobicContact CE1-CG 3.72Å; F78-L84 HydrophobicContact CE2-CD1 4.23Å; F78-L84 HydrophobicContact CG-CD1 4.17Å; F78-L84 HydrophobicContact CZ-CB 4.5Å; F78-L84 HydrophobicContact CZ-CD1 3.96Å; F78-L84 HydrophobicContact CZ-CG 4.3Å; F78-S112 WeakPolarHBondContact CE1-O 3.43Å; F78-A114 HydrophobicContact CB-CB 4.2Å; F78-A114 HydrophobicContact CD1-CB 3.79Å; F78-A114 HydrophobicContact CD2-CB 4.02Å; F78-A114 HydrophobicContact CE1-CB 4.1Å; F78-A114 HydrophobicContact CE2-CB 4.33Å; F78-A114 HydrophobicContact CG-CB 3.76Å; F78-A114 HydrophobicContact CZ-CB 4.36Å; F78-L126 HydrophobicContact CD2-CD2 4.1Å; F78-L126 HydrophobicContact CE2-CD2 3.41Å; F78-L126 VanDerWaalsContact CE2-CD2 3.41Å; F78-L126 HydrophobicContact CZ-CD2 4.12Å |
| 79 | R | 82.3 | Confident | 85.1 | Confident | 192 Ų | 192 | 69.4 Ų | 69.4 | 73% | 0.725 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -60.3 | -24.8 | 176.7 | -77.9 | -177.5 | 178.6 | -179 | -1 | 114.1 | R75 H76 A77 | R75-R79 WeakPolarHBondContact O-CG 3.4Å; H76-R79 PolarHBondContact ND1-NH1 3.5Å; H76-R79 WeakPolarHBondContact O-CB 3.42Å; H76-R79 WeakPolarHBondContact O-CG 3.36Å; H76-R79 PolarHBondContact O-N 3.42Å; A77-R79 VanDerWaalsContact C-N 3.29Å; A77-R79 PolarHBondContact O-N 2.69Å |
| 80 | Q | 74.2 | Confident | 85.2 | Confident | 198 Ų | 198 | 72.3 Ų | 72.3 | 93% | 0.925 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -101.7 | 2.2 | -174.6 | -64.7 | -171.5 | -9.8 | 0 | 0 | 113.6 | F78 | F78-Q80 PolarHBondContact O-N 3.34Å; F78-Q80 VanDerWaalsContact O-N 3.14Å |
| 81 | G | 81 | Confident | 85.3 | Confident | 32 Ų | 32 | 72.6 Ų | 72.6 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | trans | 153.5 | 166.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F78 | F78-G81 CarbonylContact C-O 3.59Å; F78-G81 WeakPolarHBondContact CA-O 3.32Å; F78-G81 VanDerWaalsContact CD1-O 3.31Å; F78-G81 WeakPolarHBondContact CD1-O 3.23Å; F78-G81 PolarHBondContact O-N 3.35Å; F78-G81 VanDerWaalsContact O-O 3.05Å | ||
| 82 | D | 79.5 | Confident | 85.3 | Confident | 93 Ų | 93 | 78.3 Ų | 78.3 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -93.2 | -6.4 | -170.1 | -59.3 | -38.1 | 0 | 0 | 0 | 114.4 | F78 H113 A114 Y116 | F78-D82 VanDerWaalsContact CE1-O 3.3Å; F78-D82 WeakPolarHBondContact CE1-O 3.47Å; D82-H113 VanDerWaalsContact O-CA 3.28Å; D82-H113 WeakPolarHBondContact O-CA 3.45Å; D82-A114 PolarHBondContact O-N 3.49Å; D82-Y116 VanDerWaalsContact OD1-CE2 3.23Å; D82-Y116 WeakPolarHBondContact OD1-CE2 3.22Å; D82-Y116 PolarHBondContact OD1-OH 3.42Å |
| 83 | E | 87.6 | Confident | 85.6 | Confident | 77 Ų | 77 | 72.9 Ų | 72.9 | 36% | 0.36 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 131.1 | 173.9 | 179.6 | -175.7 | 143.4 | 0 | 0 | 110.9 | T111 S112 H113 K137 | E83-T111 HydrophobicContact CG-CG2 4.42Å; E83-T111 WeakPolarHBondContact OE1-CG2 3.17Å; E83-S112 CarbonylContact C-O 3.56Å; E83-S112 WeakPolarHBondContact CA-O 3.34Å; E83-H113 IonicContact OE2-CE1 3.61Å; E83-H113 PolarHBondContact OE2-CE1 3.23Å; E83-K137 WeakPolarHBondContact OE1-CE 3.35Å; E83-K137 IonicContact OE1-NZ 2.64Å; E83-K137 PolarHBondContact OE1-NZ 2.83Å |
| 84 | L | 89.3 | Confident | 85.8 | Confident | 27 Ų | 27 | 72.3 Ų | 72.3 | 14% | 0.141 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.4 | 169.6 | -66.5 | 172.3 | 0 | 0 | 0 | 110.6 | A77 F78 L89 S112 | A77-L84 HydrophobicContact CB-CD1 3.74Å; F78-L84 HydrophobicContact CD1-CD1 3.87Å; F78-L84 HydrophobicContact CD1-CG 3.94Å; F78-L84 HydrophobicContact CD2-CD1 4.35Å; F78-L84 HydrophobicContact CE1-CB 4.14Å; F78-L84 HydrophobicContact CE1-CD1 3.77Å; F78-L84 HydrophobicContact CE1-CG 3.72Å; F78-L84 HydrophobicContact CE2-CD1 4.23Å; F78-L84 HydrophobicContact CG-CD1 4.17Å; F78-L84 HydrophobicContact CZ-CB 4.5Å; F78-L84 HydrophobicContact CZ-CD1 3.96Å; F78-L84 HydrophobicContact CZ-CG 4.3Å; L84-L89 HydrophobicContact CB-CD2 3.88Å; L84-L89 HydrophobicContact CD1-CD2 3.86Å; L84-S112 PolarHBondContact N-O 3.31Å; L84-S112 PolarHBondContact O-N 2.92Å |
| 85 | S | 88.4 | Confident | 85.8 | Confident | 29 Ų | 29 | 81.7 Ų | 81.7 | 20% | 0.203 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 147.5 | 168.7 | -66.2 | 0 | 0 | 0 | 0 | 110.5 | Q87 N88 K137 | S85-Q87 PolarHBondContact O-N 3.22Å; S85-N88 WeakPolarHBondContact O-CB 3.46Å; S85-N88 PolarHBondContact O-N 2.98Å; S85-K137 PolarHBondContact OG-NZ 2.82Å; S85-K137 VanDerWaalsContact OG-NZ 3.07Å |
| 86 | F | 88.9 | Confident | 86 | Confident | 5 Ų | 5 | 77.8 Ų | 77.8 | 2% | 0.022 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -49.2 | -40.2 | -175.5 | -176.3 | -96.6 | 0 | 0 | 0 | 113.8 | N88 L89 K94 V97 K98 P108 I110 | F86-N88 PolarHBondContact O-N 3.47Å; F86-L89 HydrophobicContact CD2-CD1 4.22Å; F86-L89 WeakPolarHBondContact O-CB 3.39Å; F86-L89 PolarHBondContact O-N 3.36Å; F86-L89 VanDerWaalsContact O-N 3.14Å; F86-K94 HydrophobicContact CE1-CD 4.11Å; F86-K94 HydrophobicContact CE1-CG 4.1Å; F86-K94 HydrophobicContact CE2-CB 3.96Å; F86-K94 HydrophobicContact CE2-CG 3.93Å; F86-K94 HydrophobicContact CZ-CB 3.69Å; F86-K94 HydrophobicContact CZ-CD 4.13Å; F86-K94 HydrophobicContact CZ-CG 3.68Å; F86-K94 WeakPolarHBondContact O-CE 3.33Å; F86-V97 HydrophobicContact CD2-CB 4.33Å; F86-V97 HydrophobicContact CD2-CG1 3.93Å; F86-V97 HydrophobicContact CE2-CB 4.11Å; F86-V97 HydrophobicContact CE2-CG1 4.06Å; F86-K98 HydrophobicContact CE2-CG 4.19Å; F86-K98 HydrophobicContact CZ-CD 4.32Å; F86-K98 HydrophobicContact CZ-CG 3.99Å; F86-P108 HydrophobicContact CD1-CG 4.09Å; F86-P108 HydrophobicContact CD2-CG 4.18Å; F86-P108 HydrophobicContact CE1-CG 4.1Å; F86-P108 HydrophobicContact CE2-CG 4.18Å; F86-P108 HydrophobicContact CG-CG 4.15Å; F86-P108 HydrophobicContact CZ-CG 4.16Å; F86-I110 HydrophobicContact CB-CB 4.26Å; F86-I110 PolarHBondContact N-O 3.04Å |
| 87 | Q | 86 | Confident | 86.2 | Confident | 111 Ų | 111 | 72.2 Ų | 72.2 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -59.3 | -33.2 | -179.8 | -65.7 | 175.3 | -1.6 | 0 | 0 | 113 | S85 L89 K94 | S85-Q87 PolarHBondContact O-N 3.22Å; Q87-L89 VanDerWaalsContact C-N 3.35Å; Q87-K94 WeakPolarHBondContact O-CE 3.48Å; Q87-K94 PolarHBondContact O-NZ 3.01Å |
| 88 | N | 87.1 | Confident | 86.4 | Confident | 117 Ų | 117 | 74 Ų | 74 | 63% | 0.626 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -86.6 | -5 | -177 | -60.5 | -17 | 0 | 0 | 0 | 113 | S85 F86 | S85-N88 WeakPolarHBondContact O-CB 3.46Å; S85-N88 PolarHBondContact O-N 2.98Å; F86-N88 PolarHBondContact O-N 3.47Å |
| 89 | L | 87.4 | Confident | 86.5 | Confident | 4 Ų | 4 | 78.4 Ų | 78.4 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -75.7 | 140.9 | 178.8 | -67.8 | 175.6 | 0 | 0 | 0 | 111.8 | W74 L84 F86 Q87 M93 K94 V97 | W74-L89 HydrophobicContact CZ3-CD2 4.28Å; L84-L89 HydrophobicContact CB-CD2 3.88Å; L84-L89 HydrophobicContact CD1-CD2 3.86Å; F86-L89 HydrophobicContact CD2-CD1 4.22Å; F86-L89 WeakPolarHBondContact O-CB 3.39Å; F86-L89 PolarHBondContact O-N 3.36Å; F86-L89 VanDerWaalsContact O-N 3.14Å; Q87-L89 VanDerWaalsContact C-N 3.35Å; L89-M93 HydrophobicContact CB-CB 4.4Å; L89-M93 HydrophobicContact CD2-CE 4.21Å; L89-K94 HydrophobicContact CB-CG 3.76Å; L89-K94 WeakPolarHBondContact O-CD 3.43Å; L89-K94 WeakPolarHBondContact O-CE 3.3Å; L89-K94 PolarHBondContact O-NZ 3.1Å; L89-V97 HydrophobicContact CD1-CG2 3.83Å |
| 90 | P | 87.3 | Confident | 86.9 | Confident | 60 Ų | 60 | 69.2 Ų | 69.2 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | trans | -56.6 | 151.7 | 169.3 | -26.5 | 34.5 | 0 | 0 | 0 | 112.7 | K92 M93 K94 | P90-K92 VanDerWaalsContact C-N 3.29Å; P90-K92 PolarHBondContact O-N 3.29Å; P90-K92 VanDerWaalsContact O-N 3.14Å; P90-M93 HydrophobicContact CB-CG 4.45Å; P90-M93 HydrophobicContact CB-SD 4.14Å; P90-M93 HydrophobicContact CG-SD 3.67Å; P90-M93 PolarHBondContact O-N 3.39Å; P90-K94 PolarHBondContact O-N 3.07Å | ||
| 91 | P | 85.2 | Confident | 87.7 | Confident | 113 Ų | 113 | 60.1 Ų | 60.1 | 73% | 0.734 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -53.8 | -39.6 | -175.3 | -27.5 | 34 | 0 | 0 | 0 | 114.6 | M93 K94 R95 | P91-M93 VanDerWaalsContact C-N 3.34Å; P91-M93 PolarHBondContact O-N 2.95Å; P91-K94 PolarHBondContact O-N 2.82Å; P91-R95 PolarHBondContact O-N 2.93Å |
| 92 | K | 85 | Confident | 88 | Confident | 130 Ų | 130 | 65 Ų | 65 | 57% | 0.565 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66 | -36.1 | 178.5 | -165.7 | 174.7 | -175.9 | 177.6 | 0 | 112.2 | P90 R95 Y96 | P90-K92 VanDerWaalsContact C-N 3.29Å; P90-K92 PolarHBondContact O-N 3.29Å; P90-K92 VanDerWaalsContact O-N 3.14Å; K92-R95 WeakPolarHBondContact O-CB 3.39Å; K92-R95 PolarHBondContact O-N 3.45Å; K92-Y96 HydrophobicContact CG-CE2 4.22Å; K92-Y96 WeakPolarHBondContact O-CD2 3.43Å; K92-Y96 PolarHBondContact O-N 3.44Å |
| 93 | M | 89 | Confident | 88.2 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -77.9 | -37 | 179.9 | -63.1 | 169.5 | 69.8 | 0 | 0 | 111.4 | W74 A77 L89 P90 P91 R95 Y96 V97 | W74-M93 HydrophobicContact CD2-CE 3.47Å; W74-M93 VanDerWaalsContact CD2-CE 3.47Å; W74-M93 HydrophobicContact CE3-CE 2.99Å; W74-M93 HydrophobicContact CG-CE 4.29Å; W74-M93 HydrophobicContact CH2-CB 4.2Å; W74-M93 HydrophobicContact CH2-CE 3.7Å; W74-M93 HydrophobicContact CZ2-CE 4.1Å; W74-M93 HydrophobicContact CZ3-CE 3.13Å; A77-M93 HydrophobicContact CB-CE 3.62Å; A77-M93 HydrophobicContact CB-SD 4.07Å; L89-M93 HydrophobicContact CB-CB 4.4Å; L89-M93 HydrophobicContact CD2-CE 4.21Å; P90-M93 HydrophobicContact CB-CG 4.45Å; P90-M93 HydrophobicContact CB-SD 4.14Å; P90-M93 HydrophobicContact CG-SD 3.67Å; P90-M93 PolarHBondContact O-N 3.39Å; P91-M93 VanDerWaalsContact C-N 3.34Å; P91-M93 PolarHBondContact O-N 2.95Å; M93-R95 PolarHBondContact O-N 3.26Å; M93-Y96 PolarHBondContact O-N 3.42Å; M93-Y96 VanDerWaalsContact O-N 3.08Å; M93-V97 WeakPolarHBondContact O-CG2 3.42Å; M93-V97 PolarHBondContact O-N 2.91Å |
| 94 | K | 90 | Very high | 87.7 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 25% | 0.248 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -53.4 | -40.5 | 169.2 | -73.7 | 179.4 | 168.5 | 165.7 | 0 | 111.7 | F86 Q87 L89 P90 P91 V97 K98 | F86-K94 HydrophobicContact CE1-CD 4.11Å; F86-K94 HydrophobicContact CE1-CG 4.1Å; F86-K94 HydrophobicContact CE2-CB 3.96Å; F86-K94 HydrophobicContact CE2-CG 3.93Å; F86-K94 HydrophobicContact CZ-CB 3.69Å; F86-K94 HydrophobicContact CZ-CD 4.13Å; F86-K94 HydrophobicContact CZ-CG 3.68Å; F86-K94 WeakPolarHBondContact O-CE 3.33Å; Q87-K94 WeakPolarHBondContact O-CE 3.48Å; Q87-K94 PolarHBondContact O-NZ 3.01Å; L89-K94 HydrophobicContact CB-CG 3.76Å; L89-K94 WeakPolarHBondContact O-CD 3.43Å; L89-K94 WeakPolarHBondContact O-CE 3.3Å; L89-K94 PolarHBondContact O-NZ 3.1Å; P90-K94 PolarHBondContact O-N 3.07Å; P91-K94 PolarHBondContact O-N 2.82Å; K94-V97 PolarHBondContact O-N 2.87Å; K94-K98 WeakPolarHBondContact O-CB 3.44Å; K94-K98 WeakPolarHBondContact O-CG 3.47Å; K94-K98 PolarHBondContact O-N 2.85Å |
| 95 | R | 88.5 | Confident | 87 | Confident | 199 Ų | 199 | 68.5 Ų | 68.5 | 75% | 0.751 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 176.1 | -172.3 | 178.2 | 177.7 | 177.7 | -1 | 112.5 | P91 K92 M93 N99 | P91-R95 PolarHBondContact O-N 2.93Å; K92-R95 WeakPolarHBondContact O-CB 3.39Å; K92-R95 PolarHBondContact O-N 3.45Å; M93-R95 PolarHBondContact O-N 3.26Å; R95-N99 WeakPolarHBondContact O-CB 3.46Å; R95-N99 PolarHBondContact O-N 2.94Å |
| 96 | Y | 90.4 | Very high | 86.2 | Confident | 39 Ų | 39 | 71.1 Ų | 71.1 | 15% | 0.153 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 175.8 | -63.8 | -49.3 | 0 | 0 | 0 | 111.4 | G69 K92 M93 K98 N99 I100 | G69-Y96 VanDerWaalsContact CA-CE2 3.47Å; K92-Y96 HydrophobicContact CG-CE2 4.22Å; K92-Y96 WeakPolarHBondContact O-CD2 3.43Å; K92-Y96 PolarHBondContact O-N 3.44Å; M93-Y96 PolarHBondContact O-N 3.42Å; M93-Y96 VanDerWaalsContact O-N 3.08Å; Y96-K98 PolarHBondContact O-N 3.33Å; Y96-N99 WeakPolarHBondContact O-CB 3.42Å; Y96-N99 PolarHBondContact O-N 3.12Å; Y96-N99 VanDerWaalsContact O-N 3.12Å; Y96-I100 WeakPolarHBondContact O-CG1 3.31Å; Y96-I100 PolarHBondContact O-N 3.27Å |
| 97 | V | 90.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -42.6 | -179.8 | 177 | 0 | 0 | 0 | 0 | 112 | W74 F86 L89 M93 K94 N99 I100 F101 I110 F128 | W74-V97 HydrophobicContact CH2-CG2 4.08Å; F86-V97 HydrophobicContact CD2-CB 4.33Å; F86-V97 HydrophobicContact CD2-CG1 3.93Å; F86-V97 HydrophobicContact CE2-CB 4.11Å; F86-V97 HydrophobicContact CE2-CG1 4.06Å; L89-V97 HydrophobicContact CD1-CG2 3.83Å; M93-V97 WeakPolarHBondContact O-CG2 3.42Å; M93-V97 PolarHBondContact O-N 2.91Å; K94-V97 PolarHBondContact O-N 2.87Å; V97-N99 VanDerWaalsContact C-N 3.28Å; V97-N99 PolarHBondContact O-N 2.99Å; V97-I100 PolarHBondContact O-N 3.39Å; V97-F101 HydrophobicContact CG1-CD2 4.42Å; V97-F101 PolarHBondContact O-N 2.74Å; V97-I110 HydrophobicContact CG1-CB 4.39Å; V97-I110 HydrophobicContact CG1-CD1 3.66Å; V97-I110 HydrophobicContact CG1-CG2 3.81Å; V97-F128 HydrophobicContact CG2-CD1 3.95Å; V97-F128 HydrophobicContact CG2-CE1 3.65Å; V97-F128 HydrophobicContact CG2-CZ 4.41Å |
| 98 | K | 90 | Very high | 85.6 | Confident | 60 Ų | 60 | 70.3 Ų | 70.3 | 26% | 0.261 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 173.6 | -76.4 | -172.8 | 176 | -163.9 | 0 | 112.2 | F86 K94 Y96 Q102 L103 V105 S106 | F86-K98 HydrophobicContact CE2-CG 4.19Å; F86-K98 HydrophobicContact CZ-CD 4.32Å; F86-K98 HydrophobicContact CZ-CG 3.99Å; K94-K98 WeakPolarHBondContact O-CB 3.44Å; K94-K98 WeakPolarHBondContact O-CG 3.47Å; K94-K98 PolarHBondContact O-N 2.85Å; Y96-K98 PolarHBondContact O-N 3.33Å; K98-Q102 WeakPolarHBondContact O-CA 3.38Å; K98-Q102 PolarHBondContact O-N 2.87Å; K98-L103 HydrophobicContact CG-CB 4.49Å; K98-L103 PolarHBondContact O-N 3.07Å; K98-V105 WeakPolarHBondContact CE-O 3.38Å; K98-V105 PolarHBondContact NZ-O 2.85Å; K98-S106 PolarHBondContact NZ-O 3.28Å |
| 99 | N | 89.7 | Confident | 85.7 | Confident | 97 Ų | 97 | 65.5 Ų | 65.5 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 179.8 | -160.5 | 29.6 | 0 | 0 | 0 | 112.3 | R95 Y96 V97 F101 Q102 | R95-N99 WeakPolarHBondContact O-CB 3.46Å; R95-N99 PolarHBondContact O-N 2.94Å; Y96-N99 WeakPolarHBondContact O-CB 3.42Å; Y96-N99 PolarHBondContact O-N 3.12Å; Y96-N99 VanDerWaalsContact O-N 3.12Å; V97-N99 VanDerWaalsContact C-N 3.28Å; V97-N99 PolarHBondContact O-N 2.99Å; N99-F101 PolarHBondContact O-N 2.93Å; N99-Q102 PolarHBondContact O-N 2.92Å |
| 100 | I | 90.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.7 | -50.4 | 176.2 | -68.5 | 164.4 | 0 | 0 | 0 | 110.3 | A41 V54 R57 I66 A68 Y96 V97 F128 | A41-I100 HydrophobicContact CB-CG2 3.74Å; V54-I100 HydrophobicContact CG1-CG2 4.4Å; V54-I100 HydrophobicContact CG2-CD1 3.74Å; V54-I100 HydrophobicContact CG2-CG1 3.91Å; V54-I100 HydrophobicContact CG2-CG2 4.45Å; R57-I100 WeakPolarHBondContact CD-O 3.49Å; R57-I100 PolarHBondContact NH1-O 2.88Å; R57-I100 VanDerWaalsContact NH1-O 3.09Å; I66-I100 HydrophobicContact CG2-CG1 4.04Å; A68-I100 HydrophobicContact CB-CD1 4.24Å; Y96-I100 WeakPolarHBondContact O-CG1 3.31Å; Y96-I100 PolarHBondContact O-N 3.27Å; V97-I100 PolarHBondContact O-N 3.39Å; I100-F128 HydrophobicContact CD1-CD2 3.95Å; I100-F128 HydrophobicContact CD1-CE2 3.77Å; I100-F128 HydrophobicContact CD1-CZ 4.28Å |
| 101 | F | 89.8 | Confident | 86 | Confident | 6 Ų | 6 | 62.7 Ų | 62.7 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -93.1 | 4.3 | -176.8 | -65.3 | -74.6 | 0 | 0 | 0 | 115.1 | E39 A41 R57 V97 N99 L103 I110 F128 R130 | E39-F101 HydrophobicContact CB-CD1 4.43Å; E39-F101 HydrophobicContact CB-CE1 4.11Å; E39-F101 HydrophobicContact CG-CE1 4.21Å; E39-F101 WeakPolarHBondContact OE2-CD1 3.4Å; A41-F101 HydrophobicContact CB-CE1 4.38Å; A41-F101 HydrophobicContact CB-CZ 4.13Å; R57-F101 HydrophobicContact CG-CD1 4.29Å; R57-F101 HydrophobicContact CG-CE1 4.32Å; V97-F101 HydrophobicContact CG1-CD2 4.42Å; V97-F101 PolarHBondContact O-N 2.74Å; N99-F101 PolarHBondContact O-N 2.93Å; F101-L103 HydrophobicContact CB-CD1 3.59Å; F101-L103 HydrophobicContact CB-CG 3.73Å; F101-L103 HydrophobicContact CG-CD1 4.43Å; F101-L103 PolarHBondContact O-N 3.31Å; F101-I110 HydrophobicContact CD2-CD1 3.67Å; F101-I110 HydrophobicContact CE2-CD1 4.07Å; F101-I110 HydrophobicContact CE2-CG2 4.39Å; F101-I110 HydrophobicContact CG-CD1 4.43Å; F101-F128 HydrophobicContact CE2-CB 3.7Å; F101-F128 HydrophobicContact CZ-CB 3.87Å; F101-R130 HydrophobicContact CD1-CB 4.35Å; F101-R130 HydrophobicContact CE1-CB 4.1Å; F101-R130 HydrophobicContact CZ-CB 4.24Å |
| 102 | Q | 87 | Confident | 86.3 | Confident | 134 Ų | 134 | 57.3 Ų | 57.3 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 54.4 | -177.3 | -64.6 | 169.9 | -2.2 | 0 | 0 | 112.7 | R57 K98 N99 | R57-Q102 VanDerWaalsContact NH1-CD 3.34Å; K98-Q102 WeakPolarHBondContact O-CA 3.38Å; K98-Q102 PolarHBondContact O-N 2.87Å; N99-Q102 PolarHBondContact O-N 2.92Å |
| 103 | L | 85 | Confident | 86.6 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | trans | -106.1 | 127.7 | -172.8 | -72.3 | 170.5 | 0 | 0 | 0 | 113.3 | K98 F101 P108 I110 R130 | K98-L103 HydrophobicContact CG-CB 4.49Å; K98-L103 PolarHBondContact O-N 3.07Å; F101-L103 HydrophobicContact CB-CD1 3.59Å; F101-L103 HydrophobicContact CB-CG 3.73Å; F101-L103 HydrophobicContact CG-CD1 4.43Å; F101-L103 PolarHBondContact O-N 3.31Å; L103-P108 HydrophobicContact CD1-CB 3.65Å; L103-P108 HydrophobicContact CD1-CG 3.9Å; L103-I110 HydrophobicContact CD1-CD1 3.58Å; L103-R130 VanDerWaalsContact CD2-NH1 3.31Å | ||
| 104 | D | 76.3 | Confident | 86.7 | Confident | 167 Ų | 167 | 51.6 Ų | 51.6 | 89% | 0.893 | 26% | 0.261 | S | S | * | . | trans | -95 | -8.5 | 172.4 | -67.7 | -32.3 | 0 | 0 | 0 | 113.7 | ||||
| 105 | V | 75.3 | Confident | 86.6 | Confident | 86 Ų | 86 | 48.9 Ų | 48.9 | 52% | 0.521 | 25% | 0.249 | S | C | . | . | trans | -73.6 | 146.6 | -175.9 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | K98 | K98-V105 WeakPolarHBondContact CE-O 3.38Å; K98-V105 PolarHBondContact NZ-O 2.85Å | ||
| 106 | S | 71.9 | Confident | 86.4 | Confident | 83 Ų | 83 | 42.3 Ų | 42.3 | 58% | 0.58 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -63.3 | -50.4 | -178.8 | 53.3 | 0 | 0 | 0 | 0 | 112.5 | K98 | K98-S106 PolarHBondContact NZ-O 3.28Š|
| 107 | D | 77.9 | Confident | 85.8 | Confident | 83 Ų | 83 | 42.4 Ų | 42.4 | 44% | 0.444 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -131.6 | 77.2 | -173.7 | -71.6 | -52.9 | 0 | 0 | 0 | 112.8 | ||
| 108 | P | 83.1 | Confident | 84.8 | Confident | 16 Ų | 16 | 50.6 Ų | 50.6 | 10% | 0.104 | 27% | 0.266 | C | S | . | . | trans | -69 | 145.4 | 174.3 | 30.3 | -36.4 | 0 | 0 | 0 | 112 | F86 L103 I110 | F86-P108 HydrophobicContact CD1-CG 4.09Å; F86-P108 HydrophobicContact CD2-CG 4.18Å; F86-P108 HydrophobicContact CE1-CG 4.1Å; F86-P108 HydrophobicContact CE2-CG 4.18Å; F86-P108 HydrophobicContact CG-CG 4.15Å; F86-P108 HydrophobicContact CZ-CG 4.16Å; L103-P108 HydrophobicContact CD1-CB 3.65Å; L103-P108 HydrophobicContact CD1-CG 3.9Å; P108-I110 VanDerWaalsContact C-N 3.27Å; P108-I110 HydrophobicContact CB-CD1 3.92Å; P108-I110 HydrophobicContact CB-CG1 4.12Å; P108-I110 HydrophobicContact CG-CD1 3.87Å; P108-I110 HydrophobicContact CG-CG1 4.38Å; P108-I110 PolarHBondContact O-N 2.84Å | ||
| 109 | A | 88.8 | Confident | 83.8 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | trans | -74.4 | 76.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | H131 L134 | A109-H131 HydrophobicContact CB-CB 4.08Å; A109-H131 PolarHBondContact O-CD2 3.35Å; A109-H131 VanDerWaalsContact O-CD2 3.32Å; A109-H131 PolarHBondContact O-N 3.5Å; A109-L134 HydrophobicContact CB-CD2 4.33Å; A109-L134 HydrophobicContact CB-CG 4.06Å | ||
| 110 | I | 90.2 | Very high | 82.9 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.7 | -179.3 | -62.1 | 169.6 | 0 | 0 | 0 | 111 | F86 V97 F101 L103 P108 I129 R130 | F86-I110 HydrophobicContact CB-CB 4.26Å; F86-I110 PolarHBondContact N-O 3.04Å; V97-I110 HydrophobicContact CG1-CB 4.39Å; V97-I110 HydrophobicContact CG1-CD1 3.66Å; V97-I110 HydrophobicContact CG1-CG2 3.81Å; F101-I110 HydrophobicContact CD2-CD1 3.67Å; F101-I110 HydrophobicContact CE2-CD1 4.07Å; F101-I110 HydrophobicContact CE2-CG2 4.39Å; F101-I110 HydrophobicContact CG-CD1 4.43Å; L103-I110 HydrophobicContact CD1-CD1 3.58Å; P108-I110 VanDerWaalsContact C-N 3.27Å; P108-I110 HydrophobicContact CB-CD1 3.92Å; P108-I110 HydrophobicContact CB-CG1 4.12Å; P108-I110 HydrophobicContact CG-CD1 3.87Å; P108-I110 HydrophobicContact CG-CG1 4.38Å; P108-I110 PolarHBondContact O-N 2.84Å; I110-I129 VanDerWaalsContact CA-O 3.28Å; I110-I129 WeakPolarHBondContact CA-O 3.4Å; I110-R130 HydrophobicContact CG1-CB 4.11Å; I110-R130 HydrophobicContact CG1-CG 4.23Å |
| 111 | T | 91 | Very high | 82.1 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143.6 | 164.8 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | E83 H113 F128 I129 H131 K137 | E83-T111 HydrophobicContact CG-CG2 4.42Å; E83-T111 WeakPolarHBondContact OE1-CG2 3.17Å; T111-H113 PolarHBondContact OG1-NE2 3.14Å; T111-F128 WeakPolarHBondContact O-CA 3.45Å; T111-I129 PolarHBondContact N-O 3.32Å; T111-I129 PolarHBondContact O-N 3.26Å; T111-H131 PolarHBondContact OG1-NE2 2.97Å; T111-K137 HydrophobicContact CG2-CD 4.38Å; T111-K137 HydrophobicContact CG2-CG 4.26Å |
| 112 | S | 92.5 | Very high | 81.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.5 | 176.4 | -45.3 | 0 | 0 | 0 | 0 | 108.1 | F78 E83 L84 L127 F128 | F78-S112 WeakPolarHBondContact CE1-O 3.43Å; E83-S112 CarbonylContact C-O 3.56Å; E83-S112 WeakPolarHBondContact CA-O 3.34Å; L84-S112 PolarHBondContact N-O 3.31Å; L84-S112 PolarHBondContact O-N 2.92Å; S112-L127 CarbonylContact C-O 3.52Å; S112-L127 WeakPolarHBondContact CA-O 3.5Å; S112-F128 VanDerWaalsContact OG-CD1 3.31Å; S112-F128 WeakPolarHBondContact OG-CD1 3.22Å; S112-F128 WeakPolarHBondContact OG-CE1 3.48Å |
| 113 | H | 91.9 | Very high | 81.5 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.046 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.6 | -177.4 | -61.5 | -87 | 0 | 0 | 0 | 110.2 | D82 E83 T111 L126 L127 V149 | D82-H113 VanDerWaalsContact O-CA 3.28Å; D82-H113 WeakPolarHBondContact O-CA 3.45Å; E83-H113 IonicContact OE2-CE1 3.61Å; E83-H113 PolarHBondContact OE2-CE1 3.23Å; T111-H113 PolarHBondContact OG1-NE2 3.14Å; H113-L126 WeakPolarHBondContact O-CA 3.5Å; H113-L127 HydrophobicContact CB-CB 4.26Å; H113-L127 PolarHBondContact N-O 3.26Å; H113-L127 PolarHBondContact O-N 2.94Å; H113-V149 HydrophobicContact CB-CG1 4.13Å; H113-V149 HydrophobicContact CB-CG2 4.19Å |
| 114 | A | 89.2 | Confident | 81.4 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 5% | 0.05 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 137.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F78 D82 Y116 L123 | F78-A114 HydrophobicContact CB-CB 4.2Å; F78-A114 HydrophobicContact CD1-CB 3.79Å; F78-A114 HydrophobicContact CD2-CB 4.02Å; F78-A114 HydrophobicContact CE1-CB 4.1Å; F78-A114 HydrophobicContact CE2-CB 4.33Å; F78-A114 HydrophobicContact CG-CB 3.76Å; F78-A114 HydrophobicContact CZ-CB 4.36Å; D82-A114 PolarHBondContact O-N 3.49Å; A114-Y116 HydrophobicContact CB-CD2 4.31Å; A114-Y116 HydrophobicContact CB-CE2 3.51Å; A114-L123 HydrophobicContact CB-CD1 3.68Å |
| 115 | I | 87.8 | Confident | 82 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 118.7 | 174.4 | -55.1 | -177.1 | 0 | 0 | 0 | 108.1 | F42 L123 V124 G125 L127 A153 I156 | F42-I115 HydrophobicContact CD1-CD1 3.68Å; F42-I115 HydrophobicContact CE1-CD1 3.77Å; I115-L123 WeakPolarHBondContact O-CA 3.32Å; I115-L123 WeakPolarHBondContact O-CD1 3.45Å; I115-V124 HydrophobicContact CB-CG2 4.24Å; I115-V124 HydrophobicContact CG2-CG2 3.63Å; I115-V124 VanDerWaalsContact O-CG2 3.31Å; I115-V124 WeakPolarHBondContact O-CG2 3.38Å; I115-V124 PolarHBondContact O-N 3.49Å; I115-G125 WeakPolarHBondContact CB-O 3.03Å; I115-G125 PolarHBondContact N-O 3.04Å; I115-G125 PolarHBondContact O-N 2.96Å; I115-L127 HydrophobicContact CD1-CB 4.04Å; I115-L127 HydrophobicContact CG1-CB 4.4Å; I115-A153 VanDerWaalsContact CG2-CA 3.47Å; I115-A153 HydrophobicContact CG2-CB 3.56Å; I115-I156 HydrophobicContact CD1-CD1 3.79Å |
| 116 | Y | 84.6 | Confident | 82.8 | Confident | 62 Ų | 62 | 38.2 Ų | 38.2 | 24% | 0.243 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 160.2 | 176.7 | -58.9 | -87.7 | 0 | 0 | 0 | 111.5 | D82 A114 N122 L123 S157 | D82-Y116 VanDerWaalsContact OD1-CE2 3.23Å; D82-Y116 WeakPolarHBondContact OD1-CE2 3.22Å; D82-Y116 PolarHBondContact OD1-OH 3.42Å; A114-Y116 HydrophobicContact CB-CD2 4.31Å; A114-Y116 HydrophobicContact CB-CE2 3.51Å; Y116-N122 CarbonylContact C-O 3.57Å; Y116-N122 VanDerWaalsContact CA-O 3.24Å; Y116-N122 WeakPolarHBondContact CA-O 3.35Å; Y116-L123 HydrophobicContact CD1-CB 4.38Å; Y116-L123 HydrophobicContact CE1-CB 4.28Å; Y116-L123 HydrophobicContact CE1-CD1 4.2Å; Y116-S157 PolarHBondContact O-OG 2.7Å |
| 117 | D | 78.6 | Confident | 83.9 | Confident | 40 Ų | 40 | 34.3 Ų | 34.3 | 21% | 0.214 | 21% | 0.212 | C | C | . | . | trans | -60.7 | 168.5 | 168.1 | 62.4 | 0.8 | 0 | 0 | 0 | 112.1 | G119 G120 S121 N122 V124 | D117-G119 PolarHBondContact O-N 2.86Å; D117-G120 PolarHBondContact O-N 3.47Å; D117-G120 PolarHBondContact OD1-N 2.88Å; D117-G120 VanDerWaalsContact OD1-N 3.11Å; D117-S121 PolarHBondContact OD1-N 3.33Å; D117-S121 PolarHBondContact OD1-OG 2.93Å; D117-S121 PolarHBondContact OD2-OG 2.96Å; D117-N122 PolarHBondContact N-O 3.42Å; D117-N122 PolarHBondContact OD1-N 2.89Å; D117-N122 WeakPolarHBondContact OD2-CB 3.37Å; D117-N122 PolarHBondContact OD2-ND2 3.41Å; D117-V124 HydrophobicContact CB-CG1 3.96Å | ||
| 118 | E | 70 | Confident | 84.6 | Confident | 172 Ų | 172 | 30.4 Ų | 30.4 | 80% | 0.804 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -24.4 | 179 | -70.1 | -171.4 | 160.1 | 0 | 0 | 113.2 | G120 | E118-G120 VanDerWaalsContact C-N 3.34Š|
| 119 | G | 68.6 | Low | 85.1 | Confident | 65 Ų | 65 | 29.7 Ų | 29.7 | 67% | 0.67 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82 | -5.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | D117 S121 | D117-G119 PolarHBondContact O-N 2.86Å; G119-S121 PolarHBondContact O-N 3.23Å |
| 120 | G | 71.3 | Confident | 85.2 | Confident | 51 Ų | 51 | 31.4 Ų | 31.4 | 53% | 0.526 | 19% | 0.189 | S | C | . | . | S | Bend | trans | 67.7 | 14.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D117 E118 | D117-G120 PolarHBondContact O-N 3.47Å; D117-G120 PolarHBondContact OD1-N 2.88Å; D117-G120 VanDerWaalsContact OD1-N 3.11Å; E118-G120 VanDerWaalsContact C-N 3.34Å |
| 121 | S | 73.6 | Confident | 85.1 | Confident | 83 Ų | 83 | 31.5 Ų | 31.5 | 58% | 0.58 | 19% | 0.19 | S | C | * | . | trans | -108.3 | -33.3 | -167.2 | 68.6 | 0 | 0 | 0 | 0 | 113 | D117 G119 | D117-S121 PolarHBondContact OD1-N 3.33Å; D117-S121 PolarHBondContact OD1-OG 2.93Å; D117-S121 PolarHBondContact OD2-OG 2.96Å; G119-S121 PolarHBondContact O-N 3.23Å | ||
| 122 | N | 79 | Confident | 84.8 | Confident | 81 Ų | 81 | 37.5 Ų | 37.5 | 43% | 0.433 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -114.5 | 123.8 | -177.8 | -61.7 | -60 | 0 | 0 | 0 | 110.7 | Y116 D117 V124 | Y116-N122 CarbonylContact C-O 3.57Å; Y116-N122 VanDerWaalsContact CA-O 3.24Å; Y116-N122 WeakPolarHBondContact CA-O 3.35Å; D117-N122 PolarHBondContact N-O 3.42Å; D117-N122 PolarHBondContact OD1-N 2.89Å; D117-N122 WeakPolarHBondContact OD2-CB 3.37Å; D117-N122 PolarHBondContact OD2-ND2 3.41Å; N122-V124 PolarHBondContact O-N 3.21Å |
| 123 | L | 85.3 | Confident | 84.2 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 118.7 | 166.8 | -172.1 | 74.1 | 0 | 0 | 0 | 108.3 | I45 W74 R75 A114 I115 Y116 G125 L126 | I45-L123 HydrophobicContact CD1-CB 4.19Å; I45-L123 HydrophobicContact CD1-CD2 3.93Å; I45-L123 HydrophobicContact CD1-CG 3.79Å; I45-L123 WeakPolarHBondContact CD1-O 3.21Å; W74-L123 HydrophobicContact CB-CD2 4.11Å; R75-L123 HydrophobicContact CG-CB 4.17Å; R75-L123 HydrophobicContact CG-CD2 3.85Å; A114-L123 HydrophobicContact CB-CD1 3.68Å; I115-L123 WeakPolarHBondContact O-CA 3.32Å; I115-L123 WeakPolarHBondContact O-CD1 3.45Å; Y116-L123 HydrophobicContact CD1-CB 4.38Å; Y116-L123 HydrophobicContact CE1-CB 4.28Å; Y116-L123 HydrophobicContact CE1-CD1 4.2Å; L123-G125 WeakPolarHBondContact CD1-O 3.49Å; L123-L126 HydrophobicContact CD1-CD2 4.2Å; L123-L126 HydrophobicContact CD2-CD2 4.32Å |
| 124 | V | 83 | Confident | 83.5 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 13% | 0.133 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -21.2 | 178.8 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | I45 I115 D117 N122 I160 | I45-V124 PolarHBondContact N-O 3.42Å; I115-V124 HydrophobicContact CB-CG2 4.24Å; I115-V124 HydrophobicContact CG2-CG2 3.63Å; I115-V124 VanDerWaalsContact O-CG2 3.31Å; I115-V124 WeakPolarHBondContact O-CG2 3.38Å; I115-V124 PolarHBondContact O-N 3.49Å; D117-V124 HydrophobicContact CB-CG1 3.96Å; N122-V124 PolarHBondContact O-N 3.21Å; V124-I160 HydrophobicContact CB-CD1 3.75Å; V124-I160 HydrophobicContact CG1-CD1 4.34Å; V124-I160 HydrophobicContact CG2-CD1 4.36Å |
| 125 | G | 88.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.5 | -175.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A43 I115 L123 | A43-G125 CarbonylContact O-C 3.54Å; A43-G125 WeakPolarHBondContact O-CA 3.35Å; I115-G125 WeakPolarHBondContact CB-O 3.03Å; I115-G125 PolarHBondContact N-O 3.04Å; I115-G125 PolarHBondContact O-N 2.96Å; L123-G125 WeakPolarHBondContact CD1-O 3.49Å |
| 126 | L | 91.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 138.4 | 178 | -58 | 167.9 | 0 | 0 | 0 | 109.5 | F42 A43 W74 F78 H113 L123 F128 | F42-L126 CarbonylContact C-O 3.54Å; F42-L126 VanDerWaalsContact CA-O 3.28Å; F42-L126 WeakPolarHBondContact CA-O 3.34Å; A43-L126 HydrophobicContact CB-CB 4.23Å; A43-L126 HydrophobicContact CB-CD1 4.46Å; A43-L126 PolarHBondContact N-O 3.04Å; A43-L126 PolarHBondContact O-N 3.35Å; W74-L126 HydrophobicContact CB-CD1 4.04Å; W74-L126 HydrophobicContact CB-CD2 4.33Å; W74-L126 HydrophobicContact CD2-CD1 3.23Å; W74-L126 HydrophobicContact CD2-CD2 4.46Å; W74-L126 HydrophobicContact CD2-CG 4.46Å; W74-L126 HydrophobicContact CE3-CD1 3.64Å; W74-L126 HydrophobicContact CE3-CD2 4.3Å; W74-L126 HydrophobicContact CG-CD1 3.41Å; W74-L126 VanDerWaalsContact CG-CD1 3.41Å; W74-L126 HydrophobicContact CH2-CD1 4.49Å; W74-L126 HydrophobicContact CZ2-CD1 4.16Å; W74-L126 HydrophobicContact CZ3-CD1 4.25Å; F78-L126 HydrophobicContact CD2-CD2 4.1Å; F78-L126 HydrophobicContact CE2-CD2 3.41Å; F78-L126 VanDerWaalsContact CE2-CD2 3.41Å; F78-L126 HydrophobicContact CZ-CD2 4.12Å; H113-L126 WeakPolarHBondContact O-CA 3.5Å; L123-L126 HydrophobicContact CD1-CD2 4.2Å; L123-L126 HydrophobicContact CD2-CD2 4.32Å; L126-F128 HydrophobicContact CB-CE2 3.9Å; L126-F128 HydrophobicContact CB-CZ 3.96Å; L126-F128 HydrophobicContact CD1-CE2 4.4Å; L126-F128 HydrophobicContact CD1-CZ 3.92Å |
| 127 | L | 93.8 | Very high | 81.8 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122.9 | 171.5 | 166.5 | 57.7 | 0 | 0 | 0 | 109.7 | I31 F42 S112 H113 I115 I129 V149 | I31-L127 HydrophobicContact CD1-CD1 3.91Å; I31-L127 HydrophobicContact CD1-CD2 3.84Å; F42-L127 HydrophobicContact CD1-CB 3.99Å; F42-L127 HydrophobicContact CD1-CD1 4.09Å; F42-L127 HydrophobicContact CD2-CD1 4.44Å; F42-L127 HydrophobicContact CE1-CB 3.8Å; F42-L127 HydrophobicContact CE1-CD1 3.7Å; F42-L127 HydrophobicContact CE1-CD2 4.05Å; F42-L127 HydrophobicContact CE1-CG 4.05Å; F42-L127 HydrophobicContact CE2-CD1 4.04Å; F42-L127 HydrophobicContact CG-CD1 4.47Å; F42-L127 HydrophobicContact CZ-CD1 3.67Å; F42-L127 HydrophobicContact CZ-CD2 4.22Å; F42-L127 HydrophobicContact CZ-CG 4.38Å; S112-L127 CarbonylContact C-O 3.52Å; S112-L127 WeakPolarHBondContact CA-O 3.5Å; H113-L127 HydrophobicContact CB-CB 4.26Å; H113-L127 PolarHBondContact N-O 3.26Å; H113-L127 PolarHBondContact O-N 2.94Å; I115-L127 HydrophobicContact CD1-CB 4.04Å; I115-L127 HydrophobicContact CG1-CB 4.4Å; L127-I129 HydrophobicContact CD1-CG1 3.94Å; L127-I129 HydrophobicContact CD2-CD1 4.07Å; L127-I129 HydrophobicContact CD2-CG1 4.25Å; L127-I129 HydrophobicContact CG-CD1 4.22Å; L127-I129 HydrophobicContact CG-CG1 3.89Å; L127-V149 HydrophobicContact CD2-CG2 4.19Å |
| 128 | F | 94 | Very high | 81.6 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128 | 171.5 | -55.7 | -79.4 | 0 | 0 | 0 | 109.9 | S40 A41 A43 W74 V97 I100 F101 T111 S112 L126 | S40-F128 CarbonylContact C-O 3.39Å; S40-F128 WeakPolarHBondContact CA-O 3.42Å; S40-F128 WeakPolarHBondContact CB-O 3.25Å; A41-F128 PolarHBondContact N-O 3.31Å; A41-F128 PolarHBondContact O-N 2.95Å; A43-F128 HydrophobicContact CB-CE2 3.84Å; W74-F128 AromaticContact CH2-CE1 3.59Å; W74-F128 HydrophobicContact CH2-CE1 3.59Å; W74-F128 AromaticContact CH2-CZ 3.58Å; W74-F128 HydrophobicContact CH2-CZ 3.58Å; W74-F128 HydrophobicContact CZ2-CE1 4.36Å; W74-F128 AromaticContact CZ2-CZ 3.9Å; W74-F128 HydrophobicContact CZ2-CZ 3.9Å; W74-F128 AromaticContact CZ3-CE1 3.91Å; W74-F128 HydrophobicContact CZ3-CE1 3.91Å; W74-F128 HydrophobicContact CZ3-CZ 4.06Å; V97-F128 HydrophobicContact CG2-CD1 3.95Å; V97-F128 HydrophobicContact CG2-CE1 3.65Å; V97-F128 HydrophobicContact CG2-CZ 4.41Å; I100-F128 HydrophobicContact CD1-CD2 3.95Å; I100-F128 HydrophobicContact CD1-CE2 3.77Å; I100-F128 HydrophobicContact CD1-CZ 4.28Å; F101-F128 HydrophobicContact CE2-CB 3.7Å; F101-F128 HydrophobicContact CZ-CB 3.87Å; T111-F128 WeakPolarHBondContact O-CA 3.45Å; S112-F128 VanDerWaalsContact OG-CD1 3.31Å; S112-F128 WeakPolarHBondContact OG-CD1 3.22Å; S112-F128 WeakPolarHBondContact OG-CE1 3.48Å; L126-F128 HydrophobicContact CB-CE2 3.9Å; L126-F128 HydrophobicContact CB-CZ 3.96Å; L126-F128 HydrophobicContact CD1-CE2 4.4Å; L126-F128 HydrophobicContact CD1-CZ 3.92Å |
| 129 | I | 92.2 | Very high | 82.1 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.8 | 178.2 | -56.6 | 174.6 | 0 | 0 | 0 | 108.8 | C37 I110 T111 L127 L145 | C37-I129 HydrophobicContact CB-CG2 3.59Å; I110-I129 VanDerWaalsContact CA-O 3.28Å; I110-I129 WeakPolarHBondContact CA-O 3.4Å; T111-I129 PolarHBondContact N-O 3.32Å; T111-I129 PolarHBondContact O-N 3.26Å; L127-I129 HydrophobicContact CD1-CG1 3.94Å; L127-I129 HydrophobicContact CD2-CD1 4.07Å; L127-I129 HydrophobicContact CD2-CG1 4.25Å; L127-I129 HydrophobicContact CG-CD1 4.22Å; L127-I129 HydrophobicContact CG-CG1 3.89Å; I129-L145 HydrophobicContact CD1-CD1 3.68Å |
| 130 | R | 91.8 | Very high | 82.6 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 111.6 | 171.8 | -180 | 178.6 | 163.4 | 178.6 | -6.5 | 109.3 | C37 E38 E39 F101 L103 I110 | C37-R130 WeakPolarHBondContact CB-O 3.3Å; E38-R130 HydrophobicContact CB-CG 4.44Å; E38-R130 VanDerWaalsContact CD-CZ 3.49Å; E38-R130 PolarHBondContact N-O 3.4Å; E38-R130 IonicContact OE1-CZ 2.63Å; E38-R130 IonicContact OE1-NE 3.7Å; E38-R130 IonicContact OE1-NH2 3.87Å; E38-R130 PolarHBondContact OE1-NH2 2.7Å; E38-R130 IonicContact OE2-CZ 2.88Å; E38-R130 IonicContact OE2-NE 3.07Å; E38-R130 PolarHBondContact OE2-NE 2.95Å; E38-R130 IonicContact OE2-NH2 3.06Å; E38-R130 PolarHBondContact OE2-NH2 3.12Å; E39-R130 WeakPolarHBondContact O-CB 3.45Å; E39-R130 PolarHBondContact O-N 2.66Å; F101-R130 HydrophobicContact CD1-CB 4.35Å; F101-R130 HydrophobicContact CE1-CB 4.1Å; F101-R130 HydrophobicContact CZ-CB 4.24Å; L103-R130 VanDerWaalsContact CD2-NH1 3.31Å; I110-R130 HydrophobicContact CG1-CB 4.11Å; I110-R130 HydrophobicContact CG1-CG 4.23Å |
| 131 | H | 89.1 | Confident | 83.1 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.028 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 151.7 | 179.5 | -57.3 | -79.9 | 0 | 0 | 0 | 110.8 | A109 T111 S133 K137 | A109-H131 HydrophobicContact CB-CB 4.08Å; A109-H131 PolarHBondContact O-CD2 3.35Å; A109-H131 VanDerWaalsContact O-CD2 3.32Å; A109-H131 PolarHBondContact O-N 3.5Å; T111-H131 PolarHBondContact OG1-NE2 2.97Å; H131-S133 PolarHBondContact O-N 3.26Å; H131-K137 HydrophobicContact CB-CB 4.22Å |
| 132 | Q | 83.9 | Confident | 83.6 | Confident | 128 Ų | 128 | 52.6 Ų | 52.6 | 60% | 0.598 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -62.1 | -33.8 | 178.2 | -66.5 | 176.8 | -9 | 0 | 0 | 112.5 | T136 | Q132-T136 HydrophobicContact CB-CG2 4.47Š|
| 133 | S | 80.9 | Confident | 83.8 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 31% | 0.308 | 29% | 0.288 | S | S | . | . | trans | -156.8 | 165.8 | 172.2 | 78.3 | 0 | 0 | 0 | 0 | 111.1 | H131 I135 T136 K137 | H131-S133 PolarHBondContact O-N 3.26Å; S133-I135 PolarHBondContact O-N 2.98Å; S133-I135 PolarHBondContact OG-N 3.12Å; S133-T136 PolarHBondContact N-OG1 2.97Å; S133-T136 WeakPolarHBondContact O-CB 3.16Å; S133-T136 PolarHBondContact O-N 3.37Å; S133-T136 PolarHBondContact OG-N 3.22Å; S133-T136 PolarHBondContact OG-OG1 3.38Å; S133-K137 PolarHBondContact O-N 3.41Å; S133-K137 VanDerWaalsContact O-N 3.14Å | ||
| 134 | L | 75.8 | Confident | 83.8 | Confident | 86 Ų | 86 | 59.4 Ų | 59.4 | 45% | 0.45 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.1 | -33.8 | 172 | -79.4 | 157.1 | 0 | 0 | 0 | 112.3 | A109 K137 Q138 | A109-L134 HydrophobicContact CB-CD2 4.33Å; A109-L134 HydrophobicContact CB-CG 4.06Å; L134-K137 WeakPolarHBondContact O-CB 3.43Å; L134-K137 PolarHBondContact O-N 3.26Å; L134-Q138 WeakPolarHBondContact O-CG 3.47Å; L134-Q138 PolarHBondContact O-N 3.47Å; L134-Q138 VanDerWaalsContact O-N 3.09Å |
| 135 | I | 76.1 | Confident | 83.9 | Confident | 111 Ų | 111 | 58.9 Ų | 58.9 | 57% | 0.569 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.3 | -42.2 | 177.2 | -59.6 | 171 | 0 | 0 | 0 | 109.7 | S133 K137 Q138 N139 | S133-I135 PolarHBondContact O-N 2.98Å; S133-I135 PolarHBondContact OG-N 3.12Å; I135-K137 VanDerWaalsContact C-N 3.26Å; I135-K137 PolarHBondContact O-N 3.17Å; I135-Q138 PolarHBondContact O-N 3.49Å; I135-Q138 VanDerWaalsContact O-N 3.12Å; I135-N139 PolarHBondContact O-N 3.13Å |
| 136 | T | 74.2 | Confident | 83.7 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 17% | 0.172 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.8 | -38.2 | 177 | -44 | 0 | 0 | 0 | 0 | 111.4 | P36 Q132 S133 L140 | P36-T136 HydrophobicContact CB-CG2 3.46Å; P36-T136 VanDerWaalsContact CB-CG2 3.46Å; P36-T136 HydrophobicContact CG-CG2 3.59Å; P36-T136 VanDerWaalsContact O-CG2 3.31Å; P36-T136 WeakPolarHBondContact O-CG2 3.3Å; Q132-T136 HydrophobicContact CB-CG2 4.47Å; S133-T136 PolarHBondContact N-OG1 2.97Å; S133-T136 WeakPolarHBondContact O-CB 3.16Å; S133-T136 PolarHBondContact O-N 3.37Å; S133-T136 PolarHBondContact OG-N 3.22Å; S133-T136 PolarHBondContact OG-OG1 3.38Å; T136-L140 PolarHBondContact O-N 2.71Å |
| 137 | K | 76 | Confident | 83.5 | Confident | 57 Ų | 57 | 64.4 Ų | 64.4 | 25% | 0.248 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 173.6 | -171.3 | -102.6 | 168.4 | 161.8 | 0 | 112.5 | E83 S85 T111 H131 S133 L134 I135 N139 L140 | E83-K137 WeakPolarHBondContact OE1-CE 3.35Å; E83-K137 IonicContact OE1-NZ 2.64Å; E83-K137 PolarHBondContact OE1-NZ 2.83Å; S85-K137 PolarHBondContact OG-NZ 2.82Å; S85-K137 VanDerWaalsContact OG-NZ 3.07Å; T111-K137 HydrophobicContact CG2-CD 4.38Å; T111-K137 HydrophobicContact CG2-CG 4.26Å; H131-K137 HydrophobicContact CB-CB 4.22Å; S133-K137 PolarHBondContact O-N 3.41Å; S133-K137 VanDerWaalsContact O-N 3.14Å; L134-K137 WeakPolarHBondContact O-CB 3.43Å; L134-K137 PolarHBondContact O-N 3.26Å; I135-K137 VanDerWaalsContact C-N 3.26Å; I135-K137 PolarHBondContact O-N 3.17Å; K137-N139 VanDerWaalsContact C-N 3.33Å; K137-L140 PolarHBondContact O-N 3.29Å |
| 138 | Q | 75.4 | Confident | 83.3 | Confident | 151 Ų | 151 | 64.9 Ų | 64.9 | 71% | 0.706 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68.6 | -31.7 | 179.9 | -74.5 | 176.2 | -11.4 | 0 | 0 | 113 | L134 I135 L140 | L134-Q138 WeakPolarHBondContact O-CG 3.47Å; L134-Q138 PolarHBondContact O-N 3.47Å; L134-Q138 VanDerWaalsContact O-N 3.09Å; I135-Q138 PolarHBondContact O-N 3.49Å; I135-Q138 VanDerWaalsContact O-N 3.12Å; Q138-L140 VanDerWaalsContact C-N 3.34Å |
| 139 | N | 78.7 | Confident | 82.9 | Confident | 129 Ų | 129 | 65.8 Ų | 65.8 | 69% | 0.69 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -4.7 | 179.5 | -67.9 | -16.7 | 0 | 0 | 0 | 113.6 | I135 K137 | I135-N139 PolarHBondContact O-N 3.13Å; K137-N139 VanDerWaalsContact C-N 3.33Å |
| 140 | L | 80.1 | Confident | 82.7 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -75.3 | 129.9 | -178.8 | -167 | 66.9 | 0 | 0 | 0 | 110.1 | L35 P36 T136 K137 Q138 P142 L145 | L35-L140 HydrophobicContact CD2-CD1 4.07Å; L35-L140 HydrophobicContact CD2-CD2 4.43Å; P36-L140 HydrophobicContact CG-CD1 3.69Å; T136-L140 PolarHBondContact O-N 2.71Å; K137-L140 PolarHBondContact O-N 3.29Å; Q138-L140 VanDerWaalsContact C-N 3.34Å; L140-P142 VanDerWaalsContact O-CD 3.24Å; L140-P142 WeakPolarHBondContact O-CD 3.26Å; L140-L145 HydrophobicContact CD2-CB 4Å; L140-L145 HydrophobicContact CD2-CD1 4.1Å; L140-L145 HydrophobicContact CD2-CD2 4.13Å; L140-L145 HydrophobicContact CD2-CG 4.3Å |
| 141 | D | 82.7 | Confident | 82.6 | Confident | 84 Ų | 84 | 71.1 Ų | 71.1 | 45% | 0.449 | 38% | 0.377 | S | S | . | . | trans | -60.7 | 117 | 173.7 | -179.1 | -3.3 | 0 | 0 | 0 | 110.3 | E143 L144 L145 | D141-E143 VanDerWaalsContact C-N 3.27Å; D141-E143 PolarHBondContact O-N 3.31Å; D141-E143 PolarHBondContact OD1-N 3.39Å; D141-L144 HydrophobicContact CB-CB 3.84Å; D141-L144 PolarHBondContact O-N 2.67Å; D141-L145 PolarHBondContact O-N 3.05Å | ||
| 142 | P | 82.2 | Confident | 82.6 | Confident | 94 Ų | 94 | 70.9 Ų | 70.9 | 61% | 0.61 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.5 | -33.6 | 179.2 | -23 | 34.2 | 0 | 0 | 0 | 113.4 | L140 T146 | L140-P142 VanDerWaalsContact O-CD 3.24Å; L140-P142 WeakPolarHBondContact O-CD 3.26Å; P142-T146 WeakPolarHBondContact O-CB 3.22Å; P142-T146 PolarHBondContact O-N 3.21Å; P142-T146 PolarHBondContact O-OG1 3.43Å |
| 143 | E | 83.4 | Confident | 82.8 | Confident | 158 Ų | 158 | 65.6 Ų | 65.6 | 74% | 0.738 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -69 | -41.4 | 178.6 | -67.8 | -171.4 | 178.7 | 0 | 0 | 110.5 | D141 T146 A147 | D141-E143 VanDerWaalsContact C-N 3.27Å; D141-E143 PolarHBondContact O-N 3.31Å; D141-E143 PolarHBondContact OD1-N 3.39Å; E143-T146 PolarHBondContact O-N 2.92Å; E143-A147 WeakPolarHBondContact O-CB 3.5Å; E143-A147 PolarHBondContact O-N 3.17Å |
| 144 | L | 85.4 | Confident | 83.1 | Confident | 74 Ų | 74 | 65.7 Ų | 65.7 | 39% | 0.387 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | 175.6 | -171.8 | 67.9 | 0 | 0 | 0 | 111 | L35 D141 T146 A147 H148 | L35-L144 HydrophobicContact CD2-CD2 3.94Å; L35-L144 HydrophobicContact CD2-CG 4.05Å; D141-L144 HydrophobicContact CB-CB 3.84Å; D141-L144 PolarHBondContact O-N 2.67Å; L144-T146 VanDerWaalsContact C-N 3.33Å; L144-T146 PolarHBondContact O-N 3.4Å; L144-A147 PolarHBondContact O-N 3.03Å; L144-H148 PolarHBondContact O-N 3.27Å; L144-H148 VanDerWaalsContact O-N 3.11Å; L144-H148 PolarHBondContact O-ND1 3.39Å |
| 145 | L | 85.1 | Confident | 83.9 | Confident | 11 Ų | 11 | 62.1 Ų | 62.1 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 177.7 | 178.4 | 61.3 | 0 | 0 | 0 | 111.1 | L35 I129 L140 D141 A147 H148 V149 | L35-L145 HydrophobicContact CD1-CD1 3.74Å; I129-L145 HydrophobicContact CD1-CD1 3.68Å; L140-L145 HydrophobicContact CD2-CB 4Å; L140-L145 HydrophobicContact CD2-CD1 4.1Å; L140-L145 HydrophobicContact CD2-CD2 4.13Å; L140-L145 HydrophobicContact CD2-CG 4.3Å; D141-L145 PolarHBondContact O-N 3.05Å; L145-A147 VanDerWaalsContact C-N 3.33Å; L145-A147 PolarHBondContact O-N 2.8Å; L145-H148 PolarHBondContact O-N 3.45Å; L145-H148 VanDerWaalsContact O-N 3.14Å; L145-V149 HydrophobicContact CD1-CG2 4.36Å; L145-V149 HydrophobicContact CG-CG2 4.5Å; L145-V149 WeakPolarHBondContact O-CG2 3.35Å; L145-V149 PolarHBondContact O-N 2.91Å |
| 146 | T | 85.4 | Confident | 84.5 | Confident | 74 Ų | 74 | 56.9 Ų | 56.9 | 45% | 0.454 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 178.7 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | P142 E143 L144 H148 V149 Q150 | P142-T146 WeakPolarHBondContact O-CB 3.22Å; P142-T146 PolarHBondContact O-N 3.21Å; P142-T146 PolarHBondContact O-OG1 3.43Å; E143-T146 PolarHBondContact O-N 2.92Å; L144-T146 VanDerWaalsContact C-N 3.33Å; L144-T146 PolarHBondContact O-N 3.4Å; T146-H148 VanDerWaalsContact C-N 3.31Å; T146-H148 PolarHBondContact O-N 2.99Å; T146-V149 PolarHBondContact O-N 3.44Å; T146-Q150 HydrophobicContact CG2-CG 4.49Å; T146-Q150 WeakPolarHBondContact O-CB 3.29Å; T146-Q150 WeakPolarHBondContact O-CG 3.27Å; T146-Q150 PolarHBondContact O-N 3.31Å |
| 147 | A | 86.9 | Confident | 85.1 | Confident | 43 Ų | 43 | 55.8 Ų | 55.8 | 36% | 0.355 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E143 L144 L145 Q150 V151 | E143-A147 WeakPolarHBondContact O-CB 3.5Å; E143-A147 PolarHBondContact O-N 3.17Å; L144-A147 PolarHBondContact O-N 3.03Å; L145-A147 VanDerWaalsContact C-N 3.33Å; L145-A147 PolarHBondContact O-N 2.8Å; A147-Q150 PolarHBondContact O-N 3.31Å; A147-V151 WeakPolarHBondContact O-CG2 3.47Å; A147-V151 PolarHBondContact O-N 3.45Å |
| 148 | H | 89.2 | Confident | 85.7 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.8 | -41.1 | 176.5 | -72.4 | 72.7 | 0 | 0 | 0 | 112.3 | W30 S34 L35 L144 L145 T146 Q150 V151 A152 | W30-H148 AromaticContact CE2-CD2 3.95Å; W30-H148 AromaticContact CE3-CD2 3.94Å; W30-H148 HydrophobicContact CH2-CB 4Å; W30-H148 AromaticContact CH2-CD2 3.13Å; W30-H148 WeakPolarHBondContact CH2-CD2 3.31Å; W30-H148 AromaticContact CH2-CG 3.63Å; W30-H148 AromaticContact CH2-NE2 3.81Å; W30-H148 AromaticContact CZ2-CD2 3.42Å; W30-H148 VanDerWaalsContact CZ2-CD2 3.42Å; W30-H148 WeakPolarHBondContact CZ2-CD2 3.1Å; W30-H148 AromaticContact CZ2-NE2 3.62Å; W30-H148 HydrophobicContact CZ3-CB 3.95Å; W30-H148 AromaticContact CZ3-CD2 3.41Å; W30-H148 VanDerWaalsContact CZ3-CD2 3.41Å; W30-H148 WeakPolarHBondContact CZ3-CD2 3.34Å; W30-H148 AromaticContact CZ3-CG 3.93Å; S34-H148 WeakPolarHBondContact CB-NE2 3.32Å; L35-H148 HydrophobicContact CD1-CB 4.1Å; L144-H148 PolarHBondContact O-N 3.27Å; L144-H148 VanDerWaalsContact O-N 3.11Å; L144-H148 PolarHBondContact O-ND1 3.39Å; L145-H148 PolarHBondContact O-N 3.45Å; L145-H148 VanDerWaalsContact O-N 3.14Å; T146-H148 VanDerWaalsContact C-N 3.31Å; T146-H148 PolarHBondContact O-N 2.99Å; H148-Q150 VanDerWaalsContact C-N 3.32Å; H148-Q150 PolarHBondContact O-N 3.03Å; H148-V151 PolarHBondContact O-N 2.8Å; H148-A152 WeakPolarHBondContact O-CB 3.45Å; H148-A152 PolarHBondContact O-N 2.96Å |
| 149 | V | 87.1 | Confident | 86.4 | Confident | 19 Ų | 19 | 48 Ų | 48 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 175.2 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | H113 L127 L145 T146 A152 A153 | H113-V149 HydrophobicContact CB-CG1 4.13Å; H113-V149 HydrophobicContact CB-CG2 4.19Å; L127-V149 HydrophobicContact CD2-CG2 4.19Å; L145-V149 HydrophobicContact CD1-CG2 4.36Å; L145-V149 HydrophobicContact CG-CG2 4.5Å; L145-V149 WeakPolarHBondContact O-CG2 3.35Å; L145-V149 PolarHBondContact O-N 2.91Å; T146-V149 PolarHBondContact O-N 3.44Å; V149-A152 PolarHBondContact O-N 3.01Å; V149-A153 VanDerWaalsContact O-CB 3.3Å; V149-A153 WeakPolarHBondContact O-CB 3.42Å; V149-A153 PolarHBondContact O-N 2.85Å |
| 150 | Q | 87.3 | Confident | 86.7 | Confident | 125 Ų | 125 | 43.8 Ų | 43.8 | 58% | 0.584 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.4 | -43.1 | 177 | -74.7 | 176.2 | -11.8 | 0 | 0 | 112.6 | T146 A147 H148 A153 A154 | T146-Q150 HydrophobicContact CG2-CG 4.49Å; T146-Q150 WeakPolarHBondContact O-CB 3.29Å; T146-Q150 WeakPolarHBondContact O-CG 3.27Å; T146-Q150 PolarHBondContact O-N 3.31Å; A147-Q150 PolarHBondContact O-N 3.31Å; H148-Q150 VanDerWaalsContact C-N 3.32Å; H148-Q150 PolarHBondContact O-N 3.03Å; Q150-A153 PolarHBondContact O-N 2.74Å; Q150-A154 WeakPolarHBondContact O-CB 3.24Å; Q150-A154 PolarHBondContact O-N 3.45Å |
| 151 | V | 89.2 | Confident | 86.9 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 24% | 0.242 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 175 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | L7 L10 W30 A147 H148 A153 A154 L155 | L7-V151 HydrophobicContact CD1-CG1 3.97Å; L7-V151 HydrophobicContact CD1-CG2 4.48Å; L10-V151 HydrophobicContact CD2-CG1 4.1Å; W30-V151 HydrophobicContact CH2-CB 3.82Å; W30-V151 HydrophobicContact CH2-CG1 3.8Å; W30-V151 HydrophobicContact CH2-CG2 4.17Å; W30-V151 HydrophobicContact CZ3-CB 4.04Å; W30-V151 HydrophobicContact CZ3-CG1 3.9Å; A147-V151 WeakPolarHBondContact O-CG2 3.47Å; A147-V151 PolarHBondContact O-N 3.45Å; H148-V151 PolarHBondContact O-N 2.8Å; V151-A153 VanDerWaalsContact C-N 3.3Å; V151-A153 PolarHBondContact O-N 2.93Å; V151-A154 PolarHBondContact O-N 3.3Å; V151-L155 HydrophobicContact CG1-CD1 4.06Å; V151-L155 WeakPolarHBondContact O-CG 3.41Å; V151-L155 PolarHBondContact O-N 2.84Å |
| 152 | A | 89.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L27 F42 H148 V149 L155 I156 | L27-A152 HydrophobicContact CD1-CB 4.15Å; L27-A152 HydrophobicContact CD2-CB 3.98Å; F42-A152 HydrophobicContact CE1-CB 3.88Å; F42-A152 HydrophobicContact CZ-CB 3.87Å; H148-A152 WeakPolarHBondContact O-CB 3.45Å; H148-A152 PolarHBondContact O-N 2.96Å; V149-A152 PolarHBondContact O-N 3.01Å; A152-L155 PolarHBondContact O-N 3.37Å; A152-I156 WeakPolarHBondContact O-CB 3.29Å; A152-I156 WeakPolarHBondContact O-CG1 3.41Å; A152-I156 PolarHBondContact O-N 2.77Å |
| 153 | A | 87.8 | Confident | 87.2 | Confident | 17 Ų | 17 | 45.4 Ų | 45.4 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I115 V149 Q150 V151 S157 | I115-A153 VanDerWaalsContact CG2-CA 3.47Å; I115-A153 HydrophobicContact CG2-CB 3.56Å; V149-A153 VanDerWaalsContact O-CB 3.3Å; V149-A153 WeakPolarHBondContact O-CB 3.42Å; V149-A153 PolarHBondContact O-N 2.85Å; Q150-A153 PolarHBondContact O-N 2.74Å; V151-A153 VanDerWaalsContact C-N 3.3Å; V151-A153 PolarHBondContact O-N 2.93Å; A153-S157 VanDerWaalsContact O-CB 3.23Å; A153-S157 WeakPolarHBondContact O-CB 3.48Å; A153-S157 PolarHBondContact O-N 2.95Å; A153-S157 PolarHBondContact O-OG 3.47Å |
| 154 | A | 88.8 | Confident | 87.1 | Confident | 47 Ų | 47 | 41.2 Ų | 41.2 | 39% | 0.388 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q150 V151 S157 M158 | Q150-A154 WeakPolarHBondContact O-CB 3.24Å; Q150-A154 PolarHBondContact O-N 3.45Å; V151-A154 PolarHBondContact O-N 3.3Å; A154-S157 PolarHBondContact O-N 2.88Å; A154-M158 VanDerWaalsContact O-CB 3.29Å; A154-M158 WeakPolarHBondContact O-CB 3.38Å; A154-M158 PolarHBondContact O-N 2.84Å |
| 155 | L | 91.6 | Very high | 87.1 | Confident | 11 Ų | 11 | 41.2 Ų | 41.2 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69 | -38.6 | -178.7 | -68.5 | 177.1 | 0 | 0 | 0 | 112.9 | L10 L11 V14 V23 L27 V151 A152 M158 V159 | L10-L155 HydrophobicContact CD2-CD1 3.86Å; L10-L155 HydrophobicContact CG-CD1 4.21Å; L11-L155 HydrophobicContact CD2-CD1 4.28Å; L11-L155 HydrophobicContact CD2-CD2 3.96Å; V14-L155 HydrophobicContact CG1-CD2 4.18Å; V14-L155 HydrophobicContact CG2-CD1 4.39Å; V23-L155 HydrophobicContact CG1-CB 4.15Å; L27-L155 HydrophobicContact CD1-CB 4.4Å; L27-L155 HydrophobicContact CD2-CD1 3.93Å; V151-L155 HydrophobicContact CG1-CD1 4.06Å; V151-L155 WeakPolarHBondContact O-CG 3.41Å; V151-L155 PolarHBondContact O-N 2.84Å; A152-L155 PolarHBondContact O-N 3.37Å; L155-M158 HydrophobicContact CD2-CE 4.17Å; L155-V159 WeakPolarHBondContact O-CG2 3.44Å; L155-V159 PolarHBondContact O-N 2.6Å; L155-V159 VanDerWaalsContact O-N 3.13Å |
| 156 | I | 89.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67 | -45.1 | 174 | -75 | 177 | 0 | 0 | 0 | 110.9 | L27 F42 I44 I115 A152 M158 V159 I160 | L27-I156 HydrophobicContact CD1-CD1 4.2Å; L27-I156 HydrophobicContact CD1-CG1 3.97Å; F42-I156 HydrophobicContact CB-CD1 4.36Å; F42-I156 HydrophobicContact CD1-CD1 3.23Å; F42-I156 HydrophobicContact CE1-CD1 3.5Å; F42-I156 HydrophobicContact CG-CD1 3.87Å; F42-I156 HydrophobicContact CZ-CD1 4.35Å; I44-I156 HydrophobicContact CD1-CD1 3.94Å; I44-I156 HydrophobicContact CD1-CG1 4.5Å; I44-I156 HydrophobicContact CD1-CG2 3.89Å; I115-I156 HydrophobicContact CD1-CD1 3.79Å; A152-I156 WeakPolarHBondContact O-CB 3.29Å; A152-I156 WeakPolarHBondContact O-CG1 3.41Å; A152-I156 PolarHBondContact O-N 2.77Å; I156-M158 VanDerWaalsContact C-N 3.28Å; I156-M158 PolarHBondContact O-N 2.85Å; I156-V159 PolarHBondContact O-N 2.98Å; I156-I160 HydrophobicContact CG2-CD1 3.78Å; I156-I160 HydrophobicContact CG2-CG1 4.41Å; I156-I160 WeakPolarHBondContact O-CG1 3.48Å; I156-I160 PolarHBondContact O-N 3.48Å |
| 157 | S | 86.4 | Confident | 87 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -39 | 177.9 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | Y116 A153 A154 I160 T161 | Y116-S157 PolarHBondContact O-OG 2.7Å; A153-S157 VanDerWaalsContact O-CB 3.23Å; A153-S157 WeakPolarHBondContact O-CB 3.48Å; A153-S157 PolarHBondContact O-N 2.95Å; A153-S157 PolarHBondContact O-OG 3.47Å; A154-S157 PolarHBondContact O-N 2.88Å; S157-I160 PolarHBondContact O-N 3.17Å; S157-T161 WeakPolarHBondContact O-CB 3.36Å; S157-T161 PolarHBondContact O-N 2.87Å; S157-T161 PolarHBondContact O-OG1 2.88Å |
| 158 | M | 88.8 | Confident | 86.9 | Confident | 44 Ų | 44 | 46.1 Ų | 46.1 | 22% | 0.217 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.5 | -52.4 | 173.9 | -179.7 | -167.7 | 74.3 | 0 | 0 | 110.8 | V14 F15 V18 A154 L155 I156 I160 T161 T162 | V14-M158 HydrophobicContact CG1-CE 4.03Å; F15-M158 HydrophobicContact CD1-CE 4.48Å; F15-M158 HydrophobicContact CE1-CE 3.91Å; F15-M158 HydrophobicContact CE1-SD 3.59Å; F15-M158 VanDerWaalsContact CE1-SD 3.59Å; F15-M158 HydrophobicContact CZ-SD 4.12Å; V18-M158 HydrophobicContact CG1-CE 3.94Å; A154-M158 VanDerWaalsContact O-CB 3.29Å; A154-M158 WeakPolarHBondContact O-CB 3.38Å; A154-M158 PolarHBondContact O-N 2.84Å; L155-M158 HydrophobicContact CD2-CE 4.17Å; I156-M158 VanDerWaalsContact C-N 3.28Å; I156-M158 PolarHBondContact O-N 2.85Å; M158-I160 PolarHBondContact O-N 2.88Å; M158-T161 WeakPolarHBondContact O-CB 3.42Å; M158-T161 PolarHBondContact O-N 3.28Å; M158-T161 VanDerWaalsContact O-N 3.16Å; M158-T162 WeakPolarHBondContact O-CB 3.31Å; M158-T162 PolarHBondContact O-N 3.26Å; M158-T162 PolarHBondContact O-OG1 2.71Å |
| 159 | V | 89.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -45 | -179.6 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | V18 M20 V23 L155 I156 T161 T162 E163 | V18-V159 HydrophobicContact CG1-CG2 3.92Å; M20-V159 HydrophobicContact CB-CG1 4.16Å; M20-V159 HydrophobicContact CE-CB 4.11Å; M20-V159 HydrophobicContact CE-CG1 3.76Å; M20-V159 HydrophobicContact SD-CG1 4.47Å; V23-V159 HydrophobicContact CB-CG2 3.9Å; V23-V159 HydrophobicContact CG1-CG2 4.07Å; V23-V159 HydrophobicContact CG2-CG2 3.35Å; L155-V159 WeakPolarHBondContact O-CG2 3.44Å; L155-V159 PolarHBondContact O-N 2.6Å; L155-V159 VanDerWaalsContact O-N 3.13Å; I156-V159 PolarHBondContact O-N 2.98Å; V159-T161 VanDerWaalsContact C-N 3.26Å; V159-T161 PolarHBondContact O-N 3.44Å; V159-T162 PolarHBondContact O-N 2.72Å; V159-E163 HydrophobicContact CG1-CG 4.15Å; V159-E163 WeakPolarHBondContact O-CB 3.16Å; V159-E163 WeakPolarHBondContact O-CG 3.16Å; V159-E163 PolarHBondContact O-N 3.01Å |
| 160 | I | 84.7 | Confident | 86.9 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 21% | 0.21 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.5 | -44 | 176.6 | -67.8 | 171.4 | 0 | 0 | 0 | 110.3 | M20 V124 I156 S157 M158 T164 | M20-I160 HydrophobicContact CE-CD1 4.33Å; M20-I160 HydrophobicContact CE-CG1 3.55Å; V124-I160 HydrophobicContact CB-CD1 3.75Å; V124-I160 HydrophobicContact CG1-CD1 4.34Å; V124-I160 HydrophobicContact CG2-CD1 4.36Å; I156-I160 HydrophobicContact CG2-CD1 3.78Å; I156-I160 HydrophobicContact CG2-CG1 4.41Å; I156-I160 WeakPolarHBondContact O-CG1 3.48Å; I156-I160 PolarHBondContact O-N 3.48Å; S157-I160 PolarHBondContact O-N 3.17Å; M158-I160 PolarHBondContact O-N 2.88Å; I160-T164 VanDerWaalsContact O-CB 3.29Å; I160-T164 WeakPolarHBondContact O-CB 3.17Å; I160-T164 PolarHBondContact O-N 2.81Å; I160-T164 PolarHBondContact O-OG1 3.36Å |
| 161 | T | 84.2 | Confident | 87 | Confident | 83 Ų | 83 | 47.4 Ų | 47.4 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 178.6 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | S157 M158 V159 T165 | S157-T161 WeakPolarHBondContact O-CB 3.36Å; S157-T161 PolarHBondContact O-N 2.87Å; S157-T161 PolarHBondContact O-OG1 2.88Å; M158-T161 WeakPolarHBondContact O-CB 3.42Å; M158-T161 PolarHBondContact O-N 3.28Å; M158-T161 VanDerWaalsContact O-N 3.16Å; V159-T161 VanDerWaalsContact C-N 3.26Å; V159-T161 PolarHBondContact O-N 3.44Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.48Å; T161-T165 PolarHBondContact O-N 2.96Å; T161-T165 PolarHBondContact O-OG1 3Å |
| 162 | T | 86.6 | Confident | 87 | Confident | 60 Ų | 60 | 48.2 Ų | 48.2 | 37% | 0.368 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 177.1 | -58.5 | 0 | 0 | 0 | 0 | 111.3 | V18 M158 V159 T165 T166 | V18-T162 HydrophobicContact CG1-CG2 4.47Å; M158-T162 WeakPolarHBondContact O-CB 3.31Å; M158-T162 PolarHBondContact O-N 3.26Å; M158-T162 PolarHBondContact O-OG1 2.71Å; V159-T162 PolarHBondContact O-N 2.72Å; T162-T165 PolarHBondContact O-N 3.41Å; T162-T166 WeakPolarHBondContact O-CB 3.46Å; T162-T166 PolarHBondContact O-N 3.48Å; T162-T166 PolarHBondContact O-OG1 2.84Å |
| 163 | E | 84.2 | Confident | 87.2 | Confident | 91 Ų | 91 | 54.4 Ų | 54.4 | 43% | 0.425 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 178.1 | -73.7 | -179.6 | 174.7 | 0 | 0 | 111.3 | M20 V159 T165 T166 G167 | M20-E163 PolarHBondContact N-OE1 3.09Å; V159-E163 HydrophobicContact CG1-CG 4.15Å; V159-E163 WeakPolarHBondContact O-CB 3.16Å; V159-E163 WeakPolarHBondContact O-CG 3.16Å; V159-E163 PolarHBondContact O-N 3.01Å; E163-T165 PolarHBondContact O-N 3.07Å; E163-T166 PolarHBondContact O-N 3.29Å; E163-G167 PolarHBondContact O-N 3.47Å |
| 164 | T | 81.4 | Confident | 87.4 | Confident | 70 Ų | 70 | 54.3 Ų | 54.3 | 43% | 0.429 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 176.5 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | I160 T166 G167 H168 | I160-T164 VanDerWaalsContact O-CB 3.29Å; I160-T164 WeakPolarHBondContact O-CB 3.17Å; I160-T164 PolarHBondContact O-N 2.81Å; I160-T164 PolarHBondContact O-OG1 3.36Å; T164-T166 VanDerWaalsContact C-N 3.34Å; T164-T166 PolarHBondContact O-N 3.33Å; T164-G167 PolarHBondContact O-N 3.1Å; T164-H168 PolarHBondContact O-N 3.02Å |
| 165 | T | 85.3 | Confident | 87.6 | Confident | 74 Ų | 74 | 52.5 Ų | 52.5 | 45% | 0.454 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 179.2 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | T161 T162 E163 H168 V169 | T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.48Å; T161-T165 PolarHBondContact O-N 2.96Å; T161-T165 PolarHBondContact O-OG1 3Å; T162-T165 PolarHBondContact O-N 3.41Å; E163-T165 PolarHBondContact O-N 3.07Å; T165-H168 PolarHBondContact O-N 3.2Å; T165-V169 WeakPolarHBondContact O-CG2 3.23Å; T165-V169 PolarHBondContact O-N 3.4Å |
| 166 | T | 86.9 | Confident | 87.6 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 110.5 | T162 E163 T164 H168 V169 D170 | T162-T166 WeakPolarHBondContact O-CB 3.46Å; T162-T166 PolarHBondContact O-N 3.48Å; T162-T166 PolarHBondContact O-OG1 2.84Å; E163-T166 PolarHBondContact O-N 3.29Å; T164-T166 VanDerWaalsContact C-N 3.34Å; T164-T166 PolarHBondContact O-N 3.33Å; T166-H168 VanDerWaalsContact C-N 3.35Å; T166-H168 PolarHBondContact O-N 3.43Å; T166-V169 PolarHBondContact O-N 3.11Å; T166-V169 VanDerWaalsContact O-N 3.15Å; T166-D170 PolarHBondContact O-N 3.12Å |
| 167 | G | 83.3 | Confident | 87.7 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E163 T164 D170 F171 | E163-G167 PolarHBondContact O-N 3.47Å; T164-G167 PolarHBondContact O-N 3.1Å; G167-D170 PolarHBondContact O-N 3.07Å; G167-F171 WeakPolarHBondContact O-CB 3.48Å; G167-F171 PolarHBondContact O-N 2.81Å |
| 168 | H | 84.4 | Confident | 88.1 | Confident | 121 Ų | 121 | 61.4 Ų | 61.4 | 56% | 0.56 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.1 | -41.8 | 174.4 | -68.1 | 166.5 | 0 | 0 | 0 | 112.5 | T164 T165 T166 F171 A172 | T164-H168 PolarHBondContact O-N 3.02Å; T165-H168 PolarHBondContact O-N 3.2Å; T166-H168 VanDerWaalsContact C-N 3.35Å; T166-H168 PolarHBondContact O-N 3.43Å; H168-F171 PolarHBondContact O-N 3.35Å; H168-A172 WeakPolarHBondContact O-CB 3.44Å; H168-A172 PolarHBondContact O-N 3.4Å |
| 169 | V | 88.9 | Confident | 88.2 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 42% | 0.418 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 176.7 | 170.2 | 0 | 0 | 0 | 0 | 111 | T165 T166 A172 K173 | T165-V169 WeakPolarHBondContact O-CG2 3.23Å; T165-V169 PolarHBondContact O-N 3.4Å; T166-V169 PolarHBondContact O-N 3.11Å; T166-V169 VanDerWaalsContact O-N 3.15Å; V169-A172 PolarHBondContact O-N 3.02Å; V169-K173 HydrophobicContact CG1-CD 4.28Å; V169-K173 WeakPolarHBondContact O-CG 3.23Å; V169-K173 PolarHBondContact O-N 3.17Å |
| 170 | D | 87.8 | Confident | 88.3 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 41% | 0.412 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.5 | -35.1 | 179.8 | -72.4 | -20.4 | 0 | 0 | 0 | 112.6 | T166 G167 K173 T174 | T166-D170 PolarHBondContact O-N 3.12Å; G167-D170 PolarHBondContact O-N 3.07Å; D170-K173 IonicContact OD1-NZ 3.47Å; D170-T174 WeakPolarHBondContact O-CB 3.4Å; D170-T174 PolarHBondContact O-N 3.16Å; D170-T174 PolarHBondContact O-OG1 2.86Å |
| 171 | F | 88.3 | Confident | 88.6 | Confident | 36 Ų | 36 | 66.8 Ų | 66.8 | 16% | 0.158 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 169.2 | -177.8 | -95 | 0 | 0 | 0 | 111 | G167 H168 K173 T174 M175 L203 I325 M328 L329 F332 | G167-F171 WeakPolarHBondContact O-CB 3.48Å; G167-F171 PolarHBondContact O-N 2.81Å; H168-F171 PolarHBondContact O-N 3.35Å; F171-K173 PolarHBondContact O-N 2.69Å; F171-T174 WeakPolarHBondContact O-CB 3.49Å; F171-T174 PolarHBondContact O-N 3.28Å; F171-T174 VanDerWaalsContact O-N 3.12Å; F171-M175 HydrophobicContact CD1-CG 4.05Å; F171-M175 HydrophobicContact CE1-CG 3.6Å; F171-M175 HydrophobicContact CE1-SD 4.3Å; F171-M175 HydrophobicContact CE2-CE 4.19Å; F171-M175 HydrophobicContact CE2-SD 4.47Å; F171-M175 HydrophobicContact CZ-CE 4.27Å; F171-M175 HydrophobicContact CZ-CG 3.87Å; F171-M175 HydrophobicContact CZ-SD 3.95Å; F171-M175 WeakPolarHBondContact O-CG 3.39Å; F171-M175 PolarHBondContact O-N 3.21Å; F171-L203 HydrophobicContact CD2-CD1 4.22Å; F171-L203 HydrophobicContact CD2-CD2 4.23Å; F171-L203 HydrophobicContact CE2-CD1 4.03Å; F171-I325 HydrophobicContact CE2-CG2 4.35Å; F171-M328 HydrophobicContact CE1-CB 4.16Å; F171-M328 HydrophobicContact CE2-CB 4.43Å; F171-M328 HydrophobicContact CZ-CB 3.7Å; F171-L329 HydrophobicContact CE2-CD2 3.86Å; F171-L329 HydrophobicContact CE2-CG 4.04Å; F171-L329 HydrophobicContact CZ-CD2 4.02Å; F171-L329 HydrophobicContact CZ-CG 4.23Å; F171-F332 HydrophobicContact CE1-CE2 4.37Å |
| 172 | A | 89.8 | Confident | 88.9 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | H168 V169 T174 M175 L176 | H168-A172 WeakPolarHBondContact O-CB 3.44Å; H168-A172 PolarHBondContact O-N 3.4Å; V169-A172 PolarHBondContact O-N 3.02Å; A172-T174 VanDerWaalsContact C-N 3.3Å; A172-T174 PolarHBondContact O-N 3.32Å; A172-M175 PolarHBondContact O-N 3.14Å; A172-L176 PolarHBondContact O-N 3.41Å |
| 173 | K | 92.8 | Very high | 88.9 | Confident | 129 Ų | 129 | 64.1 Ų | 64.1 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.3 | -42 | 173.3 | -74.8 | 174 | -175 | 164.7 | 0 | 111.7 | V169 D170 F171 M175 L176 Q177 | V169-K173 HydrophobicContact CG1-CD 4.28Å; V169-K173 WeakPolarHBondContact O-CG 3.23Å; V169-K173 PolarHBondContact O-N 3.17Å; D170-K173 IonicContact OD1-NZ 3.47Å; F171-K173 PolarHBondContact O-N 2.69Å; K173-M175 VanDerWaalsContact C-N 3.34Å; K173-L176 PolarHBondContact O-N 3.38Å; K173-Q177 WeakPolarHBondContact O-CB 3.23Å; K173-Q177 PolarHBondContact O-N 3.48Å |
| 174 | T | 92.6 | Very high | 89 | Confident | 16 Ų | 16 | 67 Ų | 67 | 10% | 0.098 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 177.9 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | D170 F171 A172 Q177 L178 T199 L203 | D170-T174 WeakPolarHBondContact O-CB 3.4Å; D170-T174 PolarHBondContact O-N 3.16Å; D170-T174 PolarHBondContact O-OG1 2.86Å; F171-T174 WeakPolarHBondContact O-CB 3.49Å; F171-T174 PolarHBondContact O-N 3.28Å; F171-T174 VanDerWaalsContact O-N 3.12Å; A172-T174 VanDerWaalsContact C-N 3.3Å; A172-T174 PolarHBondContact O-N 3.32Å; T174-Q177 PolarHBondContact O-N 2.88Å; T174-L178 WeakPolarHBondContact O-CB 3.25Å; T174-L178 PolarHBondContact O-N 3.19Å; T174-T199 HydrophobicContact CG2-CG2 3.92Å; T174-L203 HydrophobicContact CG2-CD1 4.08Å; T174-L203 HydrophobicContact CG2-CD2 4.02Å; T174-L203 HydrophobicContact CG2-CG 4.11Å |
| 175 | M | 92.4 | Very high | 89.1 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 4% | 0.044 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 175.3 | -68.9 | -53.9 | 94.9 | 0 | 0 | 112.6 | F171 A172 K173 Q177 L178 F179 T199 L203 L329 F332 | F171-M175 HydrophobicContact CD1-CG 4.05Å; F171-M175 HydrophobicContact CE1-CG 3.6Å; F171-M175 HydrophobicContact CE1-SD 4.3Å; F171-M175 HydrophobicContact CE2-CE 4.19Å; F171-M175 HydrophobicContact CE2-SD 4.47Å; F171-M175 HydrophobicContact CZ-CE 4.27Å; F171-M175 HydrophobicContact CZ-CG 3.87Å; F171-M175 HydrophobicContact CZ-SD 3.95Å; F171-M175 WeakPolarHBondContact O-CG 3.39Å; F171-M175 PolarHBondContact O-N 3.21Å; A172-M175 PolarHBondContact O-N 3.14Å; K173-M175 VanDerWaalsContact C-N 3.34Å; M175-Q177 VanDerWaalsContact C-N 3.33Å; M175-L178 HydrophobicContact CE-CD2 4.33Å; M175-L178 WeakPolarHBondContact O-CB 3.49Å; M175-L178 PolarHBondContact O-N 2.94Å; M175-L178 HydrophobicContact SD-CD2 4.13Å; M175-F179 VanDerWaalsContact O-CD2 3.27Å; M175-F179 WeakPolarHBondContact O-CD2 3.49Å; M175-F179 PolarHBondContact O-N 3.06Å; M175-F179 VanDerWaalsContact O-N 3.09Å; M175-T199 HydrophobicContact CE-CG2 3.96Å; M175-L203 HydrophobicContact CE-CD1 3.67Å; M175-L329 HydrophobicContact CE-CD2 3.19Å; M175-L329 HydrophobicContact SD-CD2 3.51Å; M175-L329 VanDerWaalsContact SD-CD2 3.51Å; M175-F332 HydrophobicContact CG-CD2 4.1Å; M175-F332 HydrophobicContact CG-CE2 4.01Å; M175-F332 HydrophobicContact CG-CZ 4.39Å; M175-F332 HydrophobicContact SD-CB 4.28Å; M175-F332 HydrophobicContact SD-CD2 3.61Å; M175-F332 HydrophobicContact SD-CE2 4.12Å; M175-F332 HydrophobicContact SD-CG 3.99Å |
| 176 | L | 91.8 | Very high | 89 | Confident | 112 Ų | 112 | 66.4 Ų | 66.4 | 59% | 0.586 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 174.5 | -175.5 | 66 | 0 | 0 | 0 | 111 | A172 K173 L178 F179 L180 | A172-L176 PolarHBondContact O-N 3.41Å; K173-L176 PolarHBondContact O-N 3.38Å; L176-L178 PolarHBondContact O-N 3.24Å; L176-F179 PolarHBondContact O-N 2.64Å; L176-L180 HydrophobicContact CG-CD1 4.39Å; L176-L180 WeakPolarHBondContact O-CG 3.38Å; L176-L180 PolarHBondContact O-N 2.81Å |
| 177 | Q | 93 | Very high | 88.4 | Confident | 89 Ų | 89 | 66.1 Ų | 66.1 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 177.9 | -169.5 | 59 | 47.9 | 0 | 0 | 111.8 | K173 T174 M175 F179 L180 D181 | K173-Q177 WeakPolarHBondContact O-CB 3.23Å; K173-Q177 PolarHBondContact O-N 3.48Å; T174-Q177 PolarHBondContact O-N 2.88Å; M175-Q177 VanDerWaalsContact C-N 3.33Å; Q177-F179 VanDerWaalsContact C-N 3.31Å; Q177-F179 PolarHBondContact O-N 3.31Å; Q177-L180 PolarHBondContact O-N 2.95Å; Q177-D181 VanDerWaalsContact NE2-CG 3.27Å; Q177-D181 PolarHBondContact NE2-OD1 3.15Å; Q177-D181 VanDerWaalsContact NE2-OD1 3.13Å; Q177-D181 PolarHBondContact NE2-OD2 2.94Å; Q177-D181 PolarHBondContact O-N 3.5Å |
| 178 | L | 93.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -53.1 | -49 | 173.8 | 171.7 | 68.3 | 0 | 0 | 0 | 111.4 | T174 M175 L176 D181 A182 T195 L196 T199 F332 Y333 | T174-L178 WeakPolarHBondContact O-CB 3.25Å; T174-L178 PolarHBondContact O-N 3.19Å; M175-L178 HydrophobicContact CE-CD2 4.33Å; M175-L178 WeakPolarHBondContact O-CB 3.49Å; M175-L178 PolarHBondContact O-N 2.94Å; M175-L178 HydrophobicContact SD-CD2 4.13Å; L176-L178 PolarHBondContact O-N 3.24Å; L178-D181 PolarHBondContact O-N 3.13Å; L178-A182 WeakPolarHBondContact O-CB 3.31Å; L178-A182 PolarHBondContact O-N 3.29Å; L178-T195 HydrophobicContact CD1-CG2 3.92Å; L178-L196 HydrophobicContact CD1-CD2 3.7Å; L178-L196 HydrophobicContact CD2-CD2 4.26Å; L178-L196 HydrophobicContact CG-CD2 4.41Å; L178-T199 HydrophobicContact CB-CG2 4.25Å; L178-T199 HydrophobicContact CD1-CG2 4.13Å; L178-T199 VanDerWaalsContact CD1-OG1 3.25Å; L178-T199 WeakPolarHBondContact CD1-OG1 3.41Å; L178-T199 HydrophobicContact CD2-CG2 4.34Å; L178-T199 HydrophobicContact CG-CG2 4.46Å; L178-F332 HydrophobicContact CD2-CB 4.37Å; L178-Y333 HydrophobicContact CD2-CD1 3.95Å; L178-Y333 HydrophobicContact CD2-CE1 3.63Å |
| 179 | F | 91.5 | Very high | 88.3 | Confident | 50 Ų | 50 | 61.2 Ų | 61.2 | 22% | 0.219 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 179 | -83.8 | -61.2 | 0 | 0 | 0 | 112.6 | M175 L176 Q177 D181 F183 F332 T335 C336 | M175-F179 VanDerWaalsContact O-CD2 3.27Å; M175-F179 WeakPolarHBondContact O-CD2 3.49Å; M175-F179 PolarHBondContact O-N 3.06Å; M175-F179 VanDerWaalsContact O-N 3.09Å; L176-F179 PolarHBondContact O-N 2.64Å; Q177-F179 VanDerWaalsContact C-N 3.31Å; Q177-F179 PolarHBondContact O-N 3.31Å; F179-D181 VanDerWaalsContact C-N 3.3Å; F179-D181 PolarHBondContact O-N 3.15Å; F179-F183 HydrophobicContact CB-CD2 4.27Å; F179-F183 HydrophobicContact CB-CE2 4.4Å; F179-F183 AromaticContact CD1-CD2 3.95Å; F179-F183 HydrophobicContact CD1-CD2 3.95Å; F179-F183 AromaticContact CD1-CE2 3.3Å; F179-F183 HydrophobicContact CD1-CE2 3.3Å; F179-F183 AromaticContact CD1-CZ 3.94Å; F179-F183 HydrophobicContact CD1-CZ 3.94Å; F179-F183 AromaticContact CE1-CE2 3.87Å; F179-F183 HydrophobicContact CE1-CE2 3.87Å; F179-F183 HydrophobicContact CE1-CZ 4.16Å; F179-F183 HydrophobicContact CG-CE2 4.24Å; F179-F183 VanDerWaalsContact O-CB 3.28Å; F179-F183 WeakPolarHBondContact O-CB 3.36Å; F179-F183 VanDerWaalsContact O-CD2 3.27Å; F179-F183 WeakPolarHBondContact O-CD2 3.49Å; F179-F183 WeakPolarHBondContact O-CG 3.34Å; F179-F183 PolarHBondContact O-N 3.13Å; F179-F332 HydrophobicContact CE2-CB 4.45Å; F179-F332 AromaticContact CE2-CD1 3.35Å; F179-F332 HydrophobicContact CE2-CD1 3.35Å; F179-F332 AromaticContact CE2-CE1 3.93Å; F179-F332 HydrophobicContact CE2-CE1 3.93Å; F179-F332 HydrophobicContact CE2-CG 4.28Å; F179-F332 HydrophobicContact CZ-CB 4.27Å; F179-F332 AromaticContact CZ-CD1 3.55Å; F179-F332 HydrophobicContact CZ-CD1 3.55Å; F179-F332 HydrophobicContact CZ-CE1 4.39Å; F179-F332 HydrophobicContact CZ-CG 4.39Å; F179-T335 HydrophobicContact CE1-CG2 4.32Å; F179-C336 WeakPolarHBondContact CD1-SG 3.06Å; F179-C336 WeakPolarHBondContact CE1-SG 3.37Å |
| 180 | L | 91.9 | Very high | 88 | Confident | 93 Ų | 93 | 60.6 Ų | 60.6 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 178 | -70.8 | 172.2 | 0 | 0 | 0 | 111.1 | L176 Q177 K184 | L176-L180 HydrophobicContact CG-CD1 4.39Å; L176-L180 WeakPolarHBondContact O-CG 3.38Å; L176-L180 PolarHBondContact O-N 2.81Å; Q177-L180 PolarHBondContact O-N 2.95Å; L180-K184 VanDerWaalsContact O-CG 3.26Å; L180-K184 WeakPolarHBondContact O-CG 3.36Å; L180-K184 PolarHBondContact O-N 3.32Å |
| 181 | D | 90.5 | Very high | 87.9 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -76 | -43.4 | -178 | -66.4 | -29.6 | 0 | 0 | 0 | 112.3 | Q177 L178 F179 F183 K184 T195 | Q177-D181 VanDerWaalsContact NE2-CG 3.27Å; Q177-D181 PolarHBondContact NE2-OD1 3.15Å; Q177-D181 VanDerWaalsContact NE2-OD1 3.13Å; Q177-D181 PolarHBondContact NE2-OD2 2.94Å; Q177-D181 PolarHBondContact O-N 3.5Å; L178-D181 PolarHBondContact O-N 3.13Å; F179-D181 VanDerWaalsContact C-N 3.3Å; F179-D181 PolarHBondContact O-N 3.15Å; D181-F183 VanDerWaalsContact C-N 3.3Å; D181-F183 PolarHBondContact O-N 3.29Å; D181-K184 PolarHBondContact O-N 3.46Å; D181-K184 IonicContact OD1-NZ 3.83Å; D181-K184 PolarHBondContact OD1-NZ 3.24Å; D181-T195 HydrophobicContact CB-CG2 3.71Å |
| 182 | A | 88.9 | Confident | 88 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -35.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L178 A186 T195 C336 | L178-A182 WeakPolarHBondContact O-CB 3.31Å; L178-A182 PolarHBondContact O-N 3.29Å; A182-A186 WeakPolarHBondContact O-CA 3.23Å; A182-A186 PolarHBondContact O-N 3.48Å; A182-T195 HydrophobicContact CB-CG2 4.41Å; A182-C336 HydrophobicContact CB-CB 4.25Å |
| 183 | F | 87.5 | Confident | 88 | Confident | 85 Ų | 85 | 55 Ų | 55 | 37% | 0.373 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -85.4 | -13.8 | -179.8 | -68 | -44 | 0 | 0 | 0 | 115 | F179 D181 R185 A186 H339 | F179-F183 HydrophobicContact CB-CD2 4.27Å; F179-F183 HydrophobicContact CB-CE2 4.4Å; F179-F183 AromaticContact CD1-CD2 3.95Å; F179-F183 HydrophobicContact CD1-CD2 3.95Å; F179-F183 AromaticContact CD1-CE2 3.3Å; F179-F183 HydrophobicContact CD1-CE2 3.3Å; F179-F183 AromaticContact CD1-CZ 3.94Å; F179-F183 HydrophobicContact CD1-CZ 3.94Å; F179-F183 AromaticContact CE1-CE2 3.87Å; F179-F183 HydrophobicContact CE1-CE2 3.87Å; F179-F183 HydrophobicContact CE1-CZ 4.16Å; F179-F183 HydrophobicContact CG-CE2 4.24Å; F179-F183 VanDerWaalsContact O-CB 3.28Å; F179-F183 WeakPolarHBondContact O-CB 3.36Å; F179-F183 VanDerWaalsContact O-CD2 3.27Å; F179-F183 WeakPolarHBondContact O-CD2 3.49Å; F179-F183 WeakPolarHBondContact O-CG 3.34Å; F179-F183 PolarHBondContact O-N 3.13Å; D181-F183 VanDerWaalsContact C-N 3.3Å; D181-F183 PolarHBondContact O-N 3.29Å; F183-R185 VanDerWaalsContact C-N 3.29Å; F183-R185 PolarHBondContact O-N 2.92Å; F183-A186 HydrophobicContact CD1-CB 4.08Å; F183-H339 HydrophobicContact CE1-CB 4.07Å; F183-H339 AromaticContact CE1-CD2 3.85Å |
| 184 | K | 87 | Confident | 87.8 | Confident | 153 Ų | 153 | 50.1 Ų | 50.1 | 67% | 0.665 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -58.9 | -40.6 | 171.3 | -86 | 167.4 | -168.2 | 165.2 | 0 | 112.4 | L180 D181 | L180-K184 VanDerWaalsContact O-CG 3.26Å; L180-K184 WeakPolarHBondContact O-CG 3.36Å; L180-K184 PolarHBondContact O-N 3.32Å; D181-K184 PolarHBondContact O-N 3.46Å; D181-K184 IonicContact OD1-NZ 3.83Å; D181-K184 PolarHBondContact OD1-NZ 3.24Å |
| 185 | R | 82.7 | Confident | 87.8 | Confident | 120 Ų | 120 | 50.7 Ų | 50.7 | 45% | 0.453 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 49.5 | 178.3 | -68.5 | -170 | 60.5 | -156.5 | -4 | 110.9 | F183 D187 D188 D191 | F183-R185 VanDerWaalsContact C-N 3.29Å; F183-R185 PolarHBondContact O-N 2.92Å; R185-D187 PolarHBondContact O-N 3.44Å; R185-D188 IonicContact CZ-OD2 3.93Å; R185-D188 IonicContact NH2-OD2 3.72Å; R185-D188 PolarHBondContact NH2-OD2 2.98Å; R185-D188 PolarHBondContact O-N 2.94Å; R185-D191 HydrophobicContact CB-CB 4.26Å; R185-D191 WeakPolarHBondContact CD-OD2 3.43Å; R185-D191 IonicContact CZ-OD2 3.7Å; R185-D191 IonicContact NE-OD2 3.08Å; R185-D191 PolarHBondContact NE-OD2 2.91Å; R185-D191 IonicContact NH1-OD1 2.65Å; R185-D191 IonicContact NH1-OD2 3.49Å; R185-D191 PolarHBondContact NH1-OD2 3.05Å; R185-D191 IonicContact NH2-OD2 2.67Å |
| 186 | A | 83.6 | Confident | 87.8 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A182 F183 D188 S340 L343 | A182-A186 WeakPolarHBondContact O-CA 3.23Å; A182-A186 PolarHBondContact O-N 3.48Å; F183-A186 HydrophobicContact CD1-CB 4.08Å; A186-D188 VanDerWaalsContact C-N 3.35Å; A186-S340 WeakPolarHBondContact O-CA 3.27Å; A186-S340 WeakPolarHBondContact O-CB 3.42Å; A186-S340 PolarHBondContact O-OG 2.99Å; A186-L343 HydrophobicContact CB-CD1 3.52Å |
| 187 | D | 74.7 | Confident | 87.9 | Confident | 64 Ų | 64 | 45.6 Ų | 45.6 | 34% | 0.342 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -14 | 178.8 | 63.7 | -43.8 | 0 | 0 | 0 | 114.1 | R185 K347 | R185-D187 PolarHBondContact O-N 3.44Å; D187-K347 HydrophobicContact CB-CD 3.99Å; D187-K347 VanDerWaalsContact CG-NZ 3.34Å; D187-K347 IonicContact OD2-NZ 3.59Å; D187-K347 PolarHBondContact OD2-NZ 3.28Å |
| 188 | D | 82.4 | Confident | 87.8 | Confident | 50 Ų | 50 | 44 Ų | 44 | 27% | 0.267 | 23% | 0.225 | S | C | . | . | trans | -105.8 | 100 | 177.7 | -166.2 | -22.3 | 0 | 0 | 0 | 110.3 | R185 A186 H190 D191 V192 | R185-D188 IonicContact CZ-OD2 3.93Å; R185-D188 IonicContact NH2-OD2 3.72Å; R185-D188 PolarHBondContact NH2-OD2 2.98Å; R185-D188 PolarHBondContact O-N 2.94Å; A186-D188 VanDerWaalsContact C-N 3.35Å; D188-H190 PolarHBondContact O-N 3.4Å; D188-H190 VanDerWaalsContact O-N 3.09Å; D188-H190 VanDerWaalsContact OD1-CB 3.23Å; D188-H190 WeakPolarHBondContact OD1-CB 3.42Å; D188-H190 PolarHBondContact OD1-N 2.92Å; D188-D191 HydrophobicContact CB-CB 4.15Å; D188-D191 PolarHBondContact O-N 3.39Å; D188-V192 WeakPolarHBondContact O-CG2 3.45Å; D188-V192 PolarHBondContact O-N 3.5Å; D188-V192 VanDerWaalsContact O-N 3.08Å | ||
| 189 | L | 82.8 | Confident | 87.8 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.7 | -27.6 | 177.3 | -85.2 | 168.8 | 0 | 0 | 0 | 112.5 | A193 Y224 F337 S340 L341 K344 | L189-A193 VanDerWaalsContact O-CB 3.26Å; L189-A193 WeakPolarHBondContact O-CB 3.48Å; L189-A193 PolarHBondContact O-N 2.91Å; L189-Y224 HydrophobicContact CB-CE1 4.05Å; L189-F337 HydrophobicContact CD2-CD2 4.21Å; L189-F337 HydrophobicContact CD2-CE2 3.78Å; L189-F337 HydrophobicContact CD2-CZ 3.95Å; L189-S340 WeakPolarHBondContact CD2-OG 3.23Å; L189-L341 HydrophobicContact CD1-CG 4.3Å; L189-L341 HydrophobicContact CD2-CD1 3.95Å; L189-L341 HydrophobicContact CD2-CG 4.2Å; L189-K344 HydrophobicContact CD1-CD 3.41Å; L189-K344 VanDerWaalsContact CD1-CD 3.41Å; L189-K344 HydrophobicContact CG-CD 4.22Å |
| 190 | H | 83.3 | Confident | 87.8 | Confident | 56 Ų | 56 | 42.4 Ų | 42.4 | 26% | 0.259 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -72 | -46.9 | -179.1 | -170.4 | 8.4 | 0 | 0 | 0 | 111.7 | D188 V192 A193 S194 Y224 N225 E226 | D188-H190 PolarHBondContact O-N 3.4Å; D188-H190 VanDerWaalsContact O-N 3.09Å; D188-H190 VanDerWaalsContact OD1-CB 3.23Å; D188-H190 WeakPolarHBondContact OD1-CB 3.42Å; D188-H190 PolarHBondContact OD1-N 2.92Å; H190-V192 VanDerWaalsContact C-N 3.31Å; H190-V192 PolarHBondContact O-N 3.16Å; H190-A193 PolarHBondContact O-N 3.26Å; H190-S194 PolarHBondContact O-N 3Å; H190-Y224 HydrophobicContact CB-CD1 4.15Å; H190-Y224 HydrophobicContact CB-CE1 4.45Å; H190-N225 PolarHBondContact CE1-O 3.05Å; H190-N225 PolarHBondContact NE2-O 3Å; H190-E226 WeakPolarHBondContact CE1-CA 3.36Å; H190-E226 PolarHBondContact CE1-N 3.49Å; H190-E226 VanDerWaalsContact NE2-CA 3.26Å; H190-E226 WeakPolarHBondContact NE2-CA 3.36Å |
| 191 | D | 85.3 | Confident | 87.8 | Confident | 49 Ų | 49 | 41.8 Ų | 41.8 | 26% | 0.262 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 175.6 | -84.1 | 18.1 | 0 | 0 | 0 | 111.2 | R185 D188 S194 T195 | R185-D191 HydrophobicContact CB-CB 4.26Å; R185-D191 WeakPolarHBondContact CD-OD2 3.43Å; R185-D191 IonicContact CZ-OD2 3.7Å; R185-D191 IonicContact NE-OD2 3.08Å; R185-D191 PolarHBondContact NE-OD2 2.91Å; R185-D191 IonicContact NH1-OD1 2.65Å; R185-D191 IonicContact NH1-OD2 3.49Å; R185-D191 PolarHBondContact NH1-OD2 3.05Å; R185-D191 IonicContact NH2-OD2 2.67Å; D188-D191 HydrophobicContact CB-CB 4.15Å; D188-D191 PolarHBondContact O-N 3.39Å; D191-S194 PolarHBondContact O-N 3.45Å; D191-T195 WeakPolarHBondContact O-CB 3.48Å; D191-T195 PolarHBondContact O-N 2.72Å; D191-T195 PolarHBondContact O-OG1 2.73Å |
| 192 | V | 90 | Very high | 87.8 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -49 | 175.6 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | D188 H190 S194 T195 L196 C336 F337 | D188-V192 WeakPolarHBondContact O-CG2 3.45Å; D188-V192 PolarHBondContact O-N 3.5Å; D188-V192 VanDerWaalsContact O-N 3.08Å; H190-V192 VanDerWaalsContact C-N 3.31Å; H190-V192 PolarHBondContact O-N 3.16Å; V192-S194 PolarHBondContact O-N 3.48Å; V192-T195 PolarHBondContact O-N 2.94Å; V192-L196 HydrophobicContact CG1-CD1 4.28Å; V192-L196 HydrophobicContact CG1-CG 4.4Å; V192-L196 VanDerWaalsContact O-CG 3.27Å; V192-L196 WeakPolarHBondContact O-CG 3.46Å; V192-L196 PolarHBondContact O-N 3.21Å; V192-C336 HydrophobicContact CG1-CB 4.49Å; V192-F337 HydrophobicContact CG1-CD2 4.33Å |
| 193 | A | 89.7 | Confident | 87.8 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.4 | -41.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L189 H190 L196 C197 L211 Y224 | L189-A193 VanDerWaalsContact O-CB 3.26Å; L189-A193 WeakPolarHBondContact O-CB 3.48Å; L189-A193 PolarHBondContact O-N 2.91Å; H190-A193 PolarHBondContact O-N 3.26Å; A193-L196 PolarHBondContact O-N 3.15Å; A193-C197 PolarHBondContact O-N 3.44Å; A193-C197 PolarHBondContact O-SG 3.43Å; A193-L211 HydrophobicContact CB-CB 4.42Å; A193-L211 HydrophobicContact CB-CD1 4.22Å; A193-L211 HydrophobicContact CB-CD2 4.37Å; A193-Y224 HydrophobicContact CB-CG 4.42Å |
| 194 | S | 89.4 | Confident | 87.9 | Confident | 27 Ų | 27 | 43.7 Ų | 43.7 | 19% | 0.189 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.8 | -46.5 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | H190 D191 V192 L196 C197 A198 E226 | H190-S194 PolarHBondContact O-N 3Å; D191-S194 PolarHBondContact O-N 3.45Å; V192-S194 PolarHBondContact O-N 3.48Å; S194-L196 VanDerWaalsContact C-N 3.3Å; S194-L196 PolarHBondContact O-N 2.69Å; S194-C197 PolarHBondContact O-N 3.3Å; S194-C197 VanDerWaalsContact O-N 3.11Å; S194-A198 WeakPolarHBondContact O-CB 3.44Å; S194-A198 PolarHBondContact O-N 3.05Å; S194-E226 WeakPolarHBondContact CB-OE1 3.45Å; S194-E226 PolarHBondContact OG-OE1 2.75Å |
| 195 | T | 91.4 | Very high | 88 | Confident | 28 Ų | 28 | 40.5 Ų | 40.5 | 17% | 0.172 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59 | -42.5 | 178.5 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | L178 D181 A182 D191 V192 T199 | L178-T195 HydrophobicContact CD1-CG2 3.92Å; D181-T195 HydrophobicContact CB-CG2 3.71Å; A182-T195 HydrophobicContact CB-CG2 4.41Å; D191-T195 WeakPolarHBondContact O-CB 3.48Å; D191-T195 PolarHBondContact O-N 2.72Å; D191-T195 PolarHBondContact O-OG1 2.73Å; V192-T195 PolarHBondContact O-N 2.94Å; T195-T199 WeakPolarHBondContact O-CB 3.3Å; T195-T199 PolarHBondContact O-N 2.99Å; T195-T199 PolarHBondContact O-OG1 3.4Å |
| 196 | L | 93 | Very high | 88.4 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.2 | -51.5 | 173.2 | -66.2 | -178.3 | 0 | 0 | 0 | 110.8 | L178 V192 A193 S194 A198 T199 A200 L211 Y333 C336 F337 | L178-L196 HydrophobicContact CD1-CD2 3.7Å; L178-L196 HydrophobicContact CD2-CD2 4.26Å; L178-L196 HydrophobicContact CG-CD2 4.41Å; V192-L196 HydrophobicContact CG1-CD1 4.28Å; V192-L196 HydrophobicContact CG1-CG 4.4Å; V192-L196 VanDerWaalsContact O-CG 3.27Å; V192-L196 WeakPolarHBondContact O-CG 3.46Å; V192-L196 PolarHBondContact O-N 3.21Å; A193-L196 PolarHBondContact O-N 3.15Å; S194-L196 VanDerWaalsContact C-N 3.3Å; S194-L196 PolarHBondContact O-N 2.69Å; L196-A198 PolarHBondContact O-N 3.42Å; L196-T199 PolarHBondContact O-N 3.45Å; L196-A200 PolarHBondContact O-N 2.99Å; L196-L211 HydrophobicContact CD1-CD1 3.93Å; L196-Y333 HydrophobicContact CB-CD2 3.98Å; L196-Y333 HydrophobicContact CB-CE2 3.7Å; L196-Y333 HydrophobicContact CD1-CD2 4.07Å; L196-Y333 HydrophobicContact CD1-CG 4.33Å; L196-Y333 HydrophobicContact CD2-CD1 3.71Å; L196-Y333 HydrophobicContact CD2-CD2 3.86Å; L196-Y333 HydrophobicContact CD2-CE1 3.89Å; L196-Y333 HydrophobicContact CD2-CE2 4.06Å; L196-Y333 HydrophobicContact CD2-CG 3.69Å; L196-Y333 HydrophobicContact CG-CD2 4.18Å; L196-Y333 HydrophobicContact CG-CE2 4.32Å; L196-Y333 HydrophobicContact CG-CG 4.44Å; L196-Y333 PolarHBondContact O-OH 3.11Å; L196-C336 HydrophobicContact CD2-CB 4.39Å; L196-F337 HydrophobicContact CD1-CB 4.41Å; L196-F337 HydrophobicContact CD1-CD2 4.09Å |
| 197 | C | 92.5 | Very high | 88.7 | Confident | 14 Ų | 14 | 39.4 Ų | 39.4 | 10% | 0.095 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | -178.7 | -65.9 | 0 | 0 | 0 | 0 | 112.5 | A193 S194 T199 A200 K201 C209 | A193-C197 PolarHBondContact O-N 3.44Å; A193-C197 PolarHBondContact O-SG 3.43Å; S194-C197 PolarHBondContact O-N 3.3Å; S194-C197 VanDerWaalsContact O-N 3.11Å; C197-T199 VanDerWaalsContact C-N 3.35Å; C197-T199 PolarHBondContact O-N 2.97Å; C197-A200 PolarHBondContact O-N 3.29Å; C197-K201 WeakPolarHBondContact O-CG 3.12Å; C197-K201 PolarHBondContact O-N 3.49Å; C197-C209 HydrophobicContact CB-CB 4.16Å |
| 198 | A | 91.9 | Very high | 89.4 | Confident | 56 Ų | 56 | 40.4 Ų | 40.4 | 46% | 0.463 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | S194 L196 K201 K202 | S194-A198 WeakPolarHBondContact O-CB 3.44Å; S194-A198 PolarHBondContact O-N 3.05Å; L196-A198 PolarHBondContact O-N 3.42Å; A198-K201 PolarHBondContact O-N 3.22Å; A198-K202 PolarHBondContact O-N 3.13Å |
| 199 | T | 92.9 | Very high | 89.9 | Confident | 16 Ų | 16 | 38.4 Ų | 38.4 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 177 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | T174 M175 L178 T195 L196 C197 K202 L203 | T174-T199 HydrophobicContact CG2-CG2 3.92Å; M175-T199 HydrophobicContact CE-CG2 3.96Å; L178-T199 HydrophobicContact CB-CG2 4.25Å; L178-T199 HydrophobicContact CD1-CG2 4.13Å; L178-T199 VanDerWaalsContact CD1-OG1 3.25Å; L178-T199 WeakPolarHBondContact CD1-OG1 3.41Å; L178-T199 HydrophobicContact CD2-CG2 4.34Å; L178-T199 HydrophobicContact CG-CG2 4.46Å; T195-T199 WeakPolarHBondContact O-CB 3.3Å; T195-T199 PolarHBondContact O-N 2.99Å; T195-T199 PolarHBondContact O-OG1 3.4Å; L196-T199 PolarHBondContact O-N 3.45Å; C197-T199 VanDerWaalsContact C-N 3.35Å; C197-T199 PolarHBondContact O-N 2.97Å; T199-K202 PolarHBondContact O-N 2.89Å; T199-L203 HydrophobicContact CG2-CD1 4.11Å; T199-L203 PolarHBondContact O-N 3.43Å; T199-L203 VanDerWaalsContact O-N 3.15Å |
| 200 | A | 92.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L196 C197 K202 L203 I204 M309 Y333 | L196-A200 PolarHBondContact O-N 2.99Å; C197-A200 PolarHBondContact O-N 3.29Å; A200-K202 VanDerWaalsContact C-N 3.29Å; A200-K202 PolarHBondContact O-N 2.94Å; A200-L203 PolarHBondContact O-N 2.97Å; A200-I204 WeakPolarHBondContact O-CB 3.48Å; A200-I204 PolarHBondContact O-N 3.09Å; A200-M309 HydrophobicContact CB-SD 4.05Å; A200-Y333 WeakPolarHBondContact CB-OH 3.14Å; A200-Y333 PolarHBondContact N-OH 3.28Å; A200-Y333 VanDerWaalsContact N-OH 3.09Å |
| 201 | K | 92 | Very high | 90.7 | Very high | 80 Ų | 80 | 36.8 Ų | 36.8 | 35% | 0.348 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59 | -39 | 175.8 | -73.9 | -172.6 | -178.9 | -160.9 | 0 | 112.5 | C197 A198 L205 E207 C209 | C197-K201 WeakPolarHBondContact O-CG 3.12Å; C197-K201 PolarHBondContact O-N 3.49Å; A198-K201 PolarHBondContact O-N 3.22Å; K201-L205 VanDerWaalsContact O-CA 3.24Å; K201-L205 WeakPolarHBondContact O-CA 3.19Å; K201-L205 PolarHBondContact O-N 3.46Å; K201-E207 WeakPolarHBondContact CE-O 3.48Å; K201-E207 PolarHBondContact NZ-O 3.01Å; K201-C209 HydrophobicContact CD-CB 4.28Å; K201-C209 VanDerWaalsContact CE-N 3.26Å; K201-C209 HydrophobicContact CG-CB 3.72Å |
| 202 | K | 90.2 | Very high | 91 | Very high | 141 Ų | 141 | 34.7 Ų | 34.7 | 61% | 0.613 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -65.4 | -39.7 | 178.1 | -173.7 | -175.8 | 177.3 | -168.4 | 0 | 112.7 | A198 T199 A200 | A198-K202 PolarHBondContact O-N 3.13Å; T199-K202 PolarHBondContact O-N 2.89Å; A200-K202 VanDerWaalsContact C-N 3.29Å; A200-K202 PolarHBondContact O-N 2.94Å |
| 203 | L | 90 | Very high | 91 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 20% | 0.204 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -85.2 | -37.2 | -175.1 | -69.8 | 171.1 | 0 | 0 | 0 | 113.2 | F171 T174 M175 T199 A200 I325 L329 | F171-L203 HydrophobicContact CD2-CD1 4.22Å; F171-L203 HydrophobicContact CD2-CD2 4.23Å; F171-L203 HydrophobicContact CE2-CD1 4.03Å; T174-L203 HydrophobicContact CG2-CD1 4.08Å; T174-L203 HydrophobicContact CG2-CD2 4.02Å; T174-L203 HydrophobicContact CG2-CG 4.11Å; M175-L203 HydrophobicContact CE-CD1 3.67Å; T199-L203 HydrophobicContact CG2-CD1 4.11Å; T199-L203 PolarHBondContact O-N 3.43Å; T199-L203 VanDerWaalsContact O-N 3.15Å; A200-L203 PolarHBondContact O-N 2.97Å; L203-I325 HydrophobicContact CB-CG2 4.19Å; L203-L329 HydrophobicContact CD1-CD1 3.91Å; L203-L329 HydrophobicContact CD1-CD2 3.49Å; L203-L329 VanDerWaalsContact CD1-CD2 3.49Å; L203-L329 HydrophobicContact CD1-CG 4.18Å |
| 204 | I | 89.7 | Confident | 91 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -103.3 | -13.6 | -173.4 | -61.8 | 170.7 | 0 | 0 | 0 | 111.4 | A200 M309 K312 F318 D322 I325 V326 L329 | A200-I204 WeakPolarHBondContact O-CB 3.48Å; A200-I204 PolarHBondContact O-N 3.09Å; I204-M309 HydrophobicContact CB-SD 4.35Å; I204-M309 HydrophobicContact CD1-CE 3.71Å; I204-M309 HydrophobicContact CD1-SD 3.6Å; I204-M309 VanDerWaalsContact CD1-SD 3.6Å; I204-M309 HydrophobicContact CG2-SD 4.35Å; I204-K312 HydrophobicContact CG2-CD 4.42Å; I204-K312 VanDerWaalsContact O-CD 3.23Å; I204-K312 WeakPolarHBondContact O-CD 3.36Å; I204-K312 WeakPolarHBondContact O-CE 3.4Å; I204-K312 PolarHBondContact O-NZ 3.16Å; I204-F318 HydrophobicContact CG2-CD1 3.8Å; I204-F318 HydrophobicContact CG2-CE1 3.64Å; I204-D322 HydrophobicContact CG2-CB 4.17Å; I204-I325 HydrophobicContact CD1-CG2 4.34Å; I204-I325 HydrophobicContact CG1-CG2 4.01Å; I204-V326 HydrophobicContact CD1-CG2 3.41Å; I204-V326 VanDerWaalsContact CD1-CG2 3.41Å; I204-L329 HydrophobicContact CD1-CD1 4.35Å |
| 205 | L | 89.2 | Confident | 90.7 | Very high | 86 Ų | 86 | 37.5 Ų | 37.5 | 45% | 0.45 | 19% | 0.194 | S | C | . | . | trans | 55.7 | 60.9 | 177.9 | -54.6 | 173.5 | 0 | 0 | 0 | 112.3 | K201 S313 T314 | K201-L205 VanDerWaalsContact O-CA 3.24Å; K201-L205 WeakPolarHBondContact O-CA 3.19Å; K201-L205 PolarHBondContact O-N 3.46Å; L205-S313 WeakPolarHBondContact O-CB 3.31Å; L205-S313 PolarHBondContact O-N 3.35Å; L205-S313 PolarHBondContact O-OG 3Å; L205-T314 HydrophobicContact CB-CG2 4.27Å; L205-T314 HydrophobicContact CD1-CG2 3.63Å | ||
| 206 | C | 90.8 | Very high | 90.3 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 6% | 0.061 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 153.6 | 174.3 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | M309 F318 | C206-M309 HydrophobicContact CB-CB 4.29Å; C206-F318 HydrophobicContact CB-CE1 4.16Å; C206-F318 HydrophobicContact CB-CZ 4.17Å |
| 207 | E | 89.6 | Confident | 89.5 | Confident | 100 Ų | 100 | 49.9 Ų | 49.9 | 47% | 0.467 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | -48.3 | 179.1 | -67.9 | 175.3 | 179.9 | 0 | 0 | 111.4 | K201 H310 N311 | K201-E207 WeakPolarHBondContact CE-O 3.48Å; K201-E207 PolarHBondContact NZ-O 3.01Å; E207-H310 PolarHBondContact N-O 2.93Å; E207-N311 HydrophobicContact CB-CB 4.03Å; E207-N311 VanDerWaalsContact CD-CB 3.44Å; E207-N311 HydrophobicContact CG-CB 3.9Å; E207-N311 PolarHBondContact N-O 3.01Å; E207-N311 WeakPolarHBondContact OE2-CB 3.17Å; E207-N311 PolarHBondContact OE2-ND2 2.97Å |
| 208 | E | 89.3 | Confident | 89 | Confident | 84 Ų | 84 | 55.4 Ų | 55.4 | 39% | 0.393 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 142.1 | -175.9 | -64.7 | -176.2 | 171.3 | 0 | 0 | 111.1 | H289 M309 H310 | E208-H289 IonicContact OE2-CD2 2.84Å; E208-H289 IonicContact OE2-CE1 3.55Å; E208-H289 IonicContact OE2-NE2 3.99Å; E208-H289 PolarHBondContact OE2-NE2 3Å; E208-M309 CarbonylContact O-C 3.48Å; E208-M309 VanDerWaalsContact O-CA 3.29Å; E208-M309 WeakPolarHBondContact O-CA 3.38Å; E208-H310 HydrophobicContact CB-CB 4.25Å; E208-H310 PolarHBondContact N-O 3.39Å; E208-H310 PolarHBondContact O-N 3.25Å |
| 209 | C | 92.3 | Very high | 88.7 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 123 | 176.3 | -175.4 | 0 | 0 | 0 | 0 | 107.8 | C197 K201 E308 M309 | C197-C209 HydrophobicContact CB-CB 4.16Å; K201-C209 HydrophobicContact CD-CB 4.28Å; K201-C209 VanDerWaalsContact CE-N 3.26Å; K201-C209 HydrophobicContact CG-CB 3.72Å; C209-E308 CarbonylContact C-O 3.29Å; C209-E308 WeakPolarHBondContact CA-O 3.16Å; C209-M309 HydrophobicContact CB-CG 4.1Å |
| 210 | N | 91.1 | Very high | 88.5 | Confident | 28 Ų | 28 | 58.2 Ų | 58.2 | 15% | 0.15 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144.8 | -172.6 | -66.5 | -48.9 | 0 | 0 | 0 | 110.1 | Y212 L223 V307 E308 | N210-Y212 HydrophobicContact CB-CD2 4.48Å; N210-Y212 HydrophobicContact CB-CE2 3.68Å; N210-L223 HydrophobicContact CB-CD1 3.81Å; N210-V307 WeakPolarHBondContact O-CA 3.41Å; N210-E308 PolarHBondContact N-O 2.82Å; N210-E308 PolarHBondContact O-N 3.09Å |
| 211 | L | 92.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.7 | 175.2 | -172 | 154.9 | 0 | 0 | 0 | 110.1 | A193 L196 Y224 L297 A305 V307 F337 | A193-L211 HydrophobicContact CB-CB 4.42Å; A193-L211 HydrophobicContact CB-CD1 4.22Å; A193-L211 HydrophobicContact CB-CD2 4.37Å; L196-L211 HydrophobicContact CD1-CD1 3.93Å; L211-Y224 PolarHBondContact O-N 2.82Å; L211-L297 HydrophobicContact CD1-CD1 4.21Å; L211-A305 HydrophobicContact CD2-CB 3.86Å; L211-A305 HydrophobicContact CG-CB 4.29Å; L211-V307 HydrophobicContact CD1-CG2 4.1Å; L211-V307 HydrophobicContact CG-CG2 4.23Å; L211-F337 HydrophobicContact CD1-CD2 4.21Å; L211-F337 HydrophobicContact CD1-CE2 3.98Å; L211-F337 HydrophobicContact CD2-CE1 4.49Å; L211-F337 HydrophobicContact CD2-CE2 3.71Å; L211-F337 HydrophobicContact CD2-CZ 3.62Å |
| 212 | Y | 91.5 | Very high | 88 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 114.8 | -179.8 | -61.8 | -87.8 | 0 | 0 | 0 | 110.4 | N210 F221 V222 L223 L234 L241 R285 A305 V306 E308 | N210-Y212 HydrophobicContact CB-CD2 4.48Å; N210-Y212 HydrophobicContact CB-CE2 3.68Å; Y212-F221 HydrophobicContact CD1-CB 4.46Å; Y212-V222 CarbonylContact C-O 3.6Å; Y212-V222 WeakPolarHBondContact CA-O 3.24Å; Y212-L223 HydrophobicContact CD1-CB 3.89Å; Y212-L223 HydrophobicContact CD1-CD1 4.01Å; Y212-L223 HydrophobicContact CE1-CB 3.77Å; Y212-L223 HydrophobicContact CE1-CD1 3.59Å; Y212-L223 HydrophobicContact CE1-CD2 4.49Å; Y212-L223 HydrophobicContact CE1-CG 4.12Å; Y212-L223 HydrophobicContact CE2-CD1 4.3Å; Y212-L234 HydrophobicContact CD1-CD1 4.05Å; Y212-L234 HydrophobicContact CE1-CD1 3.51Å; Y212-L241 HydrophobicContact CD1-CD1 4.13Å; Y212-L241 HydrophobicContact CD2-CD1 4.33Å; Y212-L241 HydrophobicContact CD2-CD2 3.84Å; Y212-L241 HydrophobicContact CE1-CD1 4.46Å; Y212-L241 HydrophobicContact CE2-CD2 4.26Å; Y212-L241 HydrophobicContact CG-CD1 4.05Å; Y212-L241 HydrophobicContact CG-CD2 4.25Å; Y212-R285 PolarHBondContact OH-NH1 2.91Å; Y212-A305 CarbonylContact O-C 3.59Å; Y212-A305 WeakPolarHBondContact O-CA 3.45Å; Y212-A305 WeakPolarHBondContact O-CB 3.28Å; Y212-V306 PolarHBondContact N-O 3.28Å; Y212-V306 PolarHBondContact O-N 3.23Å; Y212-E308 HydrophobicContact CE2-CB 4.08Å; Y212-E308 WeakPolarHBondContact CE2-OE2 3.39Å; Y212-E308 PolarHBondContact OH-OE2 2.88Å |
| 213 | L | 89.6 | Confident | 87.8 | Confident | 27 Ų | 27 | 48.5 Ų | 48.5 | 14% | 0.141 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 135 | 173.6 | -179 | 129.6 | 0 | 0 | 0 | 109.9 | F221 V222 Y224 F337 L341 | L213-F221 CarbonylContact O-C 3.22Å; L213-F221 WeakPolarHBondContact O-CA 3.09Å; L213-V222 PolarHBondContact N-O 3.13Å; L213-V222 PolarHBondContact O-N 3.14Å; L213-Y224 HydrophobicContact CB-CD2 4.15Å; L213-Y224 HydrophobicContact CB-CE2 3.87Å; L213-Y224 HydrophobicContact CD1-CE2 4.23Å; L213-F337 HydrophobicContact CD1-CE1 3.91Å; L213-F337 HydrophobicContact CD1-CZ 3.85Å; L213-L341 HydrophobicContact CD1-CD1 4.03Å |
| 214 | F | 89.3 | Confident | 87.2 | Confident | 27 Ų | 27 | 48.2 Ų | 48.2 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 113.7 | 177.1 | -172.4 | -123.5 | 0 | 0 | 0 | 110.7 | R216 N219 F221 A236 L245 I303 M304 | F214-R216 HydrophobicContact CD1-CG 3.76Å; F214-R216 HydrophobicContact CE1-CG 3.58Å; F214-N219 WeakPolarHBondContact CZ-OD1 3.4Å; F214-F221 HydrophobicContact CB-CD1 4.08Å; F214-F221 HydrophobicContact CB-CE1 3.78Å; F214-F221 AromaticContact CD2-CD1 3.91Å; F214-F221 HydrophobicContact CD2-CD1 3.91Å; F214-F221 HydrophobicContact CD2-CD2 4.31Å; F214-F221 AromaticContact CD2-CE1 3.6Å; F214-F221 HydrophobicContact CD2-CE1 3.6Å; F214-F221 HydrophobicContact CD2-CE2 4.03Å; F214-F221 HydrophobicContact CD2-CG 4.26Å; F214-F221 AromaticContact CD2-CZ 3.66Å; F214-F221 HydrophobicContact CD2-CZ 3.66Å; F214-F221 HydrophobicContact CE2-CE2 4.28Å; F214-F221 HydrophobicContact CE2-CZ 4.21Å; F214-F221 HydrophobicContact CG-CD1 4.46Å; F214-F221 HydrophobicContact CG-CE1 4Å; F214-F221 HydrophobicContact CG-CZ 4.34Å; F214-A236 HydrophobicContact CE2-CB 4.02Å; F214-L245 HydrophobicContact CD1-CD1 4.13Å; F214-L245 HydrophobicContact CD2-CD1 4.4Å; F214-L245 HydrophobicContact CD2-CD2 4.49Å; F214-L245 HydrophobicContact CE1-CD1 3.97Å; F214-L245 HydrophobicContact CE2-CD1 4.27Å; F214-L245 HydrophobicContact CE2-CD2 3.8Å; F214-L245 HydrophobicContact CG-CD1 4.34Å; F214-L245 HydrophobicContact CZ-CD1 4.06Å; F214-L245 HydrophobicContact CZ-CD2 3.84Å; F214-I303 HydrophobicContact CB-CG2 4.48Å; F214-I303 HydrophobicContact CD1-CG2 3.69Å; F214-I303 HydrophobicContact CE1-CG2 4.25Å; F214-I303 HydrophobicContact CG-CG2 4.28Å; F214-M304 PolarHBondContact N-O 2.71Å |
| 215 | D | 84.5 | Confident | 86 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.193 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 103.8 | 171.5 | -173.9 | -23.1 | 0 | 0 | 0 | 108.5 | D217 K218 N219 E220 V222 | D215-D217 PolarHBondContact OD1-N 3.22Å; D215-D217 VanDerWaalsContact OD1-N 3.12Å; D215-K218 PolarHBondContact OD1-N 3.16Å; D215-N219 VanDerWaalsContact O-CA 3.3Å; D215-N219 WeakPolarHBondContact O-CA 3.38Å; D215-N219 PolarHBondContact O-N 3.18Å; D215-E220 HydrophobicContact CB-CG 4.08Å; D215-E220 PolarHBondContact N-O 3.47Å; D215-E220 PolarHBondContact O-N 3.3Å; D215-E220 VanDerWaalsContact O-N 3.1Å; D215-V222 HydrophobicContact CB-CG2 4.33Å |
| 216 | R | 81.6 | Confident | 84.2 | Confident | 126 Ų | 126 | 53.5 Ų | 53.5 | 48% | 0.475 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -36 | -178.7 | -83.1 | -179 | 171.2 | -167.3 | -4.5 | 113.4 | F214 K218 N219 E302 | F214-R216 HydrophobicContact CD1-CG 3.76Å; F214-R216 HydrophobicContact CE1-CG 3.58Å; R216-K218 PolarHBondContact O-N 3.29Å; R216-N219 PolarHBondContact O-N 2.74Å; R216-E302 IonicContact CZ-OE1 3.8Å; R216-E302 VanDerWaalsContact CZ-OE1 3.22Å; R216-E302 IonicContact NH1-OE1 3.21Å; R216-E302 PolarHBondContact NH1-OE1 3.36Å; R216-E302 IonicContact NH1-OE2 3.97Å; R216-E302 VanDerWaalsContact NH2-CB 3.31Å; R216-E302 IonicContact NH2-OE1 3.67Å; R216-E302 PolarHBondContact NH2-OE1 3.19Å; R216-E302 IonicContact NH2-OE2 2.98Å |
| 217 | D | 77.1 | Confident | 82.2 | Confident | 162 Ų | 162 | 61.5 Ų | 61.5 | 87% | 0.866 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -32.3 | -174.9 | -64.2 | -29.5 | 0 | 0 | 0 | 110.4 | D215 | D215-D217 PolarHBondContact OD1-N 3.22Å; D215-D217 VanDerWaalsContact OD1-N 3.12Å |
| 218 | K | 81.5 | Confident | 80.2 | Confident | 131 Ų | 131 | 63.2 Ų | 63.2 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -4.8 | 178.9 | -64.6 | -176.7 | -178.9 | -174.8 | 0 | 114.3 | D215 R216 E220 | D215-K218 PolarHBondContact OD1-N 3.16Å; R216-K218 PolarHBondContact O-N 3.29Å; K218-E220 VanDerWaalsContact C-N 3.34Å; K218-E220 HydrophobicContact CB-CG 3.75Å; K218-E220 WeakPolarHBondContact CB-OE1 3.5Å; K218-E220 WeakPolarHBondContact CD-OE1 3.49Å; K218-E220 PolarHBondContact O-N 3.27Å |
| 219 | N | 85.4 | Confident | 78 | Confident | 96 Ų | 96 | 68 Ų | 68 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 50.5 | -176.3 | -162.3 | 38.7 | 0 | 0 | 0 | 112.8 | F214 D215 R216 A236 | F214-N219 WeakPolarHBondContact CZ-OD1 3.4Å; D215-N219 VanDerWaalsContact O-CA 3.3Å; D215-N219 WeakPolarHBondContact O-CA 3.38Å; D215-N219 PolarHBondContact O-N 3.18Å; R216-N219 PolarHBondContact O-N 2.74Å; N219-A236 VanDerWaalsContact O-CB 3.25Å; N219-A236 WeakPolarHBondContact O-CB 3.35Å; N219-A236 PolarHBondContact O-N 3.14Å |
| 220 | E | 89 | Confident | 75.9 | Confident | 34 Ų | 34 | 73.9 Ų | 73.9 | 16% | 0.159 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 156.8 | -176.3 | 67 | -176.2 | 169.7 | 0 | 0 | 112.1 | D215 K218 R233 L234 | D215-E220 HydrophobicContact CB-CG 4.08Å; D215-E220 PolarHBondContact N-O 3.47Å; D215-E220 PolarHBondContact O-N 3.3Å; D215-E220 VanDerWaalsContact O-N 3.1Å; K218-E220 VanDerWaalsContact C-N 3.34Å; K218-E220 HydrophobicContact CB-CG 3.75Å; K218-E220 WeakPolarHBondContact CB-OE1 3.5Å; K218-E220 WeakPolarHBondContact CD-OE1 3.49Å; K218-E220 PolarHBondContact O-N 3.27Å; E220-R233 IonicContact OE1-CZ 2.71Å; E220-R233 IonicContact OE1-NE 3.89Å; E220-R233 IonicContact OE1-NH1 3.31Å; E220-R233 PolarHBondContact OE1-NH1 3.4Å; E220-R233 WeakPolarHBondContact OE2-CD 3.37Å; E220-L234 CarbonylContact C-O 3.54Å; E220-L234 WeakPolarHBondContact CA-O 3.42Å; E220-L234 WeakPolarHBondContact CB-O 3.5Å |
| 221 | F | 87.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 132.6 | 173.1 | -75.3 | -74.5 | 0 | 0 | 0 | 110.7 | Y212 L213 F214 R233 L234 A236 L241 L245 V306 | Y212-F221 HydrophobicContact CD1-CB 4.46Å; L213-F221 CarbonylContact O-C 3.22Å; L213-F221 WeakPolarHBondContact O-CA 3.09Å; F214-F221 HydrophobicContact CB-CD1 4.08Å; F214-F221 HydrophobicContact CB-CE1 3.78Å; F214-F221 AromaticContact CD2-CD1 3.91Å; F214-F221 HydrophobicContact CD2-CD1 3.91Å; F214-F221 HydrophobicContact CD2-CD2 4.31Å; F214-F221 AromaticContact CD2-CE1 3.6Å; F214-F221 HydrophobicContact CD2-CE1 3.6Å; F214-F221 HydrophobicContact CD2-CE2 4.03Å; F214-F221 HydrophobicContact CD2-CG 4.26Å; F214-F221 AromaticContact CD2-CZ 3.66Å; F214-F221 HydrophobicContact CD2-CZ 3.66Å; F214-F221 HydrophobicContact CE2-CE2 4.28Å; F214-F221 HydrophobicContact CE2-CZ 4.21Å; F214-F221 HydrophobicContact CG-CD1 4.46Å; F214-F221 HydrophobicContact CG-CE1 4Å; F214-F221 HydrophobicContact CG-CZ 4.34Å; F221-R233 CarbonylContact O-C 3.56Å; F221-R233 VanDerWaalsContact O-CA 3.28Å; F221-R233 WeakPolarHBondContact O-CA 3.39Å; F221-L234 HydrophobicContact CB-CB 4.25Å; F221-L234 PolarHBondContact N-O 3.15Å; F221-L234 PolarHBondContact O-N 3.36Å; F221-A236 HydrophobicContact CE2-CB 4.48Å; F221-L241 HydrophobicContact CB-CD1 3.95Å; F221-L241 HydrophobicContact CD1-CD1 4.45Å; F221-L241 HydrophobicContact CD2-CB 3.83Å; F221-L241 HydrophobicContact CD2-CD1 3.79Å; F221-L241 HydrophobicContact CD2-CG 4.45Å; F221-L241 HydrophobicContact CE2-CB 3.59Å; F221-L241 HydrophobicContact CE2-CD1 4.41Å; F221-L241 HydrophobicContact CG-CB 4.44Å; F221-L241 HydrophobicContact CG-CD1 3.81Å; F221-L241 HydrophobicContact CZ-CB 4.01Å; F221-L245 HydrophobicContact CE2-CD2 4.08Å; F221-L245 HydrophobicContact CZ-CB 4.11Å; F221-L245 HydrophobicContact CZ-CD1 4.11Å; F221-L245 HydrophobicContact CZ-CD2 3.99Å; F221-L245 HydrophobicContact CZ-CG 4.3Å; F221-V306 HydrophobicContact CE1-CG2 3.81Å; F221-V306 HydrophobicContact CZ-CG2 4.21Å |
| 222 | V | 86.9 | Confident | 74.2 | Confident | 5 Ų | 5 | 81.2 Ų | 81.2 | 3% | 0.03 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 116.1 | 179.4 | -172.5 | 0 | 0 | 0 | 0 | 109 | Y212 L213 D215 Q231 R233 | Y212-V222 CarbonylContact C-O 3.6Å; Y212-V222 WeakPolarHBondContact CA-O 3.24Å; L213-V222 PolarHBondContact N-O 3.13Å; L213-V222 PolarHBondContact O-N 3.14Å; D215-V222 HydrophobicContact CB-CG2 4.33Å; V222-Q231 HydrophobicContact CG1-CB 3.91Å; V222-Q231 HydrophobicContact CG1-CG 4.09Å; V222-R233 HydrophobicContact CG2-CG 4.35Å |
| 223 | L | 86.3 | Confident | 73.8 | Confident | 14 Ų | 14 | 85.7 Ų | 85.7 | 7% | 0.073 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 132.4 | 176.9 | 177.7 | 64 | 0 | 0 | 0 | 110.8 | N210 Y212 N225 Q232 | N210-L223 HydrophobicContact CB-CD1 3.81Å; Y212-L223 HydrophobicContact CD1-CB 3.89Å; Y212-L223 HydrophobicContact CD1-CD1 4.01Å; Y212-L223 HydrophobicContact CE1-CB 3.77Å; Y212-L223 HydrophobicContact CE1-CD1 3.59Å; Y212-L223 HydrophobicContact CE1-CD2 4.49Å; Y212-L223 HydrophobicContact CE1-CG 4.12Å; Y212-L223 HydrophobicContact CE2-CD1 4.3Å; L223-N225 HydrophobicContact CD2-CB 4.15Å; L223-N225 HydrophobicContact CG-CB 4.14Å; L223-Q232 HydrophobicContact CB-CB 4.11Å; L223-Q232 HydrophobicContact CD2-CB 4.17Å; L223-Q232 VanDerWaalsContact CD2-OE1 3.31Å; L223-Q232 PolarHBondContact N-O 3.29Å |
| 224 | Y | 76.5 | Confident | 73.6 | Confident | 33 Ų | 33 | 85.5 Ų | 85.5 | 13% | 0.129 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 111 | 165.6 | -85.6 | -92 | 0 | 0 | 0 | 109.8 | L189 H190 A193 L211 L213 | L189-Y224 HydrophobicContact CB-CE1 4.05Å; H190-Y224 HydrophobicContact CB-CD1 4.15Å; H190-Y224 HydrophobicContact CB-CE1 4.45Å; A193-Y224 HydrophobicContact CB-CG 4.42Å; L211-Y224 PolarHBondContact O-N 2.82Å; L213-Y224 HydrophobicContact CB-CD2 4.15Å; L213-Y224 HydrophobicContact CB-CE2 3.87Å; L213-Y224 HydrophobicContact CD1-CE2 4.23Å |
| 225 | N | 64.6 | Low | 73.3 | Confident | 74 Ų | 74 | 87.7 Ų | 87.7 | 40% | 0.396 | 42% | 0.423 | S | S | . | . | trans | -136.5 | 140.8 | 179.8 | -173.2 | -9.2 | 0 | 0 | 0 | 110.8 | H190 L223 K227 | H190-N225 PolarHBondContact CE1-O 3.05Å; H190-N225 PolarHBondContact NE2-O 3Å; L223-N225 HydrophobicContact CD2-CB 4.15Å; L223-N225 HydrophobicContact CG-CB 4.14Å; N225-K227 PolarHBondContact O-N 3.05Å | ||
| 226 | E | 51.1 | Low | 73.2 | Confident | 124 Ų | 124 | 86.2 Ų | 86.2 | 58% | 0.579 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -13.7 | -174.9 | -69.5 | -170.4 | 151.3 | 0 | 0 | 115.5 | H190 S194 | H190-E226 WeakPolarHBondContact CE1-CA 3.36Å; H190-E226 PolarHBondContact CE1-N 3.49Å; H190-E226 VanDerWaalsContact NE2-CA 3.26Å; H190-E226 WeakPolarHBondContact NE2-CA 3.36Å; S194-E226 WeakPolarHBondContact CB-OE1 3.45Å; S194-E226 PolarHBondContact OG-OE1 2.75Å |
| 227 | K | 48.7 | Very low | 73 | Confident | 176 Ų | 176 | 85.4 Ų | 85.4 | 77% | 0.765 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | 0.2 | -158.6 | -66.1 | -172.4 | 178.8 | 179.4 | 0 | 116.5 | N225 | N225-K227 PolarHBondContact O-N 3.05Š|
| 228 | Q | 47.2 | Very low | 73.4 | Confident | 136 Ų | 136 | 79 Ų | 79 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | trans | -134.6 | 127.8 | -177.6 | -68.7 | -160.8 | -6.3 | 0 | 0 | 114.7 | N230 | Q228-N230 PolarHBondContact O-N 3.15Š| ||
| 229 | L | 43 | Very low | 73.4 | Confident | 185 Ų | 185 | 74.2 Ų | 74.2 | 97% | 0.969 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -62.4 | -24.5 | 165.5 | -97.8 | 110.9 | 0 | 0 | 0 | 112.5 | ||
| 230 | N | 49.3 | Very low | 73.4 | Confident | 132 Ų | 132 | 69.6 Ų | 69.6 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -94.8 | 111.9 | 175.8 | -79.7 | -13 | 0 | 0 | 0 | 109.8 | Q228 Q232 | Q228-N230 PolarHBondContact O-N 3.15Å; N230-Q232 PolarHBondContact O-N 3.37Å; N230-Q232 VanDerWaalsContact O-N 3.15Å |
| 231 | Q | 67.8 | Low | 73.3 | Confident | 93 Ų | 93 | 68 Ų | 68 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | trans | -63.5 | 112.4 | 172.4 | -75 | 178.9 | -12.5 | 0 | 0 | 109.5 | V222 R233 | V222-Q231 HydrophobicContact CG1-CB 3.91Å; V222-Q231 HydrophobicContact CG1-CG 4.09Å; Q231-R233 PolarHBondContact O-N 3.19Å | ||
| 232 | Q | 79.7 | Confident | 73.3 | Confident | 89 Ų | 89 | 71.2 Ų | 71.2 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | trans | -66.1 | 124.9 | 169.7 | -178.4 | 178.9 | -2.4 | 0 | 0 | 108.7 | L223 N230 | L223-Q232 HydrophobicContact CB-CB 4.11Å; L223-Q232 HydrophobicContact CD2-CB 4.17Å; L223-Q232 VanDerWaalsContact CD2-OE1 3.31Å; L223-Q232 PolarHBondContact N-O 3.29Å; N230-Q232 PolarHBondContact O-N 3.37Å; N230-Q232 VanDerWaalsContact O-N 3.15Å | ||
| 233 | R | 83.3 | Confident | 73.3 | Confident | 100 Ų | 100 | 72.8 Ų | 72.8 | 38% | 0.377 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 135.1 | 178.9 | -62.4 | -179.8 | 179.7 | -113.7 | -14 | 109.3 | E220 F221 V222 Q231 | E220-R233 IonicContact OE1-CZ 2.71Å; E220-R233 IonicContact OE1-NE 3.89Å; E220-R233 IonicContact OE1-NH1 3.31Å; E220-R233 PolarHBondContact OE1-NH1 3.4Å; E220-R233 WeakPolarHBondContact OE2-CD 3.37Å; F221-R233 CarbonylContact O-C 3.56Å; F221-R233 VanDerWaalsContact O-CA 3.28Å; F221-R233 WeakPolarHBondContact O-CA 3.39Å; V222-R233 HydrophobicContact CG2-CG 4.35Å; Q231-R233 PolarHBondContact O-N 3.19Å |
| 234 | L | 84.8 | Confident | 73.5 | Confident | 22 Ų | 22 | 72.1 Ų | 72.1 | 12% | 0.115 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 139.5 | 178.3 | -64.4 | 173.6 | 0 | 0 | 0 | 108.7 | Y212 E220 F221 L241 | Y212-L234 HydrophobicContact CD1-CD1 4.05Å; Y212-L234 HydrophobicContact CE1-CD1 3.51Å; E220-L234 CarbonylContact C-O 3.54Å; E220-L234 WeakPolarHBondContact CA-O 3.42Å; E220-L234 WeakPolarHBondContact CB-O 3.5Å; F221-L234 HydrophobicContact CB-CB 4.25Å; F221-L234 PolarHBondContact N-O 3.15Å; F221-L234 PolarHBondContact O-N 3.36Å; L234-L241 HydrophobicContact CD1-CD1 3.86Å |
| 235 | P | 83.6 | Confident | 74 | Confident | 73 Ų | 73 | 72.1 Ų | 72.1 | 47% | 0.474 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 151.9 | 175.1 | 28.5 | -34.2 | 0 | 0 | 0 | 110.6 | T237 D238 | P235-T237 PolarHBondContact O-N 3.4Å; P235-D238 PolarHBondContact O-N 3.46Å; P235-D238 VanDerWaalsContact O-N 3.13Å |
| 236 | A | 81.5 | Confident | 75.1 | Confident | 6 Ų | 6 | 72.3 Ų | 72.3 | 5% | 0.05 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -13.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F214 N219 F221 N242 L245 | F214-A236 HydrophobicContact CE2-CB 4.02Å; N219-A236 VanDerWaalsContact O-CB 3.25Å; N219-A236 WeakPolarHBondContact O-CB 3.35Å; N219-A236 PolarHBondContact O-N 3.14Å; F221-A236 HydrophobicContact CE2-CB 4.48Å; A236-N242 WeakPolarHBondContact O-CB 3.4Å; A236-N242 PolarHBondContact O-OD1 3.01Å; A236-L245 HydrophobicContact CB-CD2 4.16Å |
| 237 | T | 79.2 | Confident | 76.8 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 67% | 0.669 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 3.7 | 178.6 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | P235 A239 | P235-T237 PolarHBondContact O-N 3.4Å; T237-A239 PolarHBondContact O-N 3.12Å |
| 238 | D | 84.9 | Confident | 78.7 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 15% | 0.15 | 34% | 0.339 | C | S | . | . | trans | -55.6 | 130.2 | 172.6 | 177.7 | -82.9 | 0 | 0 | 0 | 110.2 | P235 V240 L241 N242 R285 | P235-D238 PolarHBondContact O-N 3.46Å; P235-D238 VanDerWaalsContact O-N 3.13Å; D238-V240 VanDerWaalsContact C-N 3.33Å; D238-V240 PolarHBondContact O-N 2.96Å; D238-V240 PolarHBondContact OD1-N 3.37Å; D238-L241 HydrophobicContact CB-CB 4.16Å; D238-L241 HydrophobicContact CB-CD1 4.19Å; D238-L241 HydrophobicContact CB-CG 4.3Å; D238-L241 PolarHBondContact O-N 3.44Å; D238-L241 WeakPolarHBondContact OD1-CG 3.48Å; D238-L241 PolarHBondContact OD1-N 3.19Å; D238-N242 WeakPolarHBondContact O-CA 3.41Å; D238-N242 WeakPolarHBondContact O-CB 3.44Å; D238-N242 PolarHBondContact O-N 3.33Å; D238-R285 IonicContact OD1-NH2 3.57Å; D238-R285 PolarHBondContact OD1-NH2 3.26Å; D238-R285 IonicContact OD2-CZ 2.74Å; D238-R285 IonicContact OD2-NE 3.33Å; D238-R285 PolarHBondContact OD2-NE 2.9Å; D238-R285 IonicContact OD2-NH2 3.52Å | ||
| 239 | A | 81.6 | Confident | 80.7 | Confident | 29 Ų | 29 | 57.9 Ų | 57.9 | 24% | 0.24 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.7 | -42.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T237 E243 I279 | T237-A239 PolarHBondContact O-N 3.12Å; A239-E243 PolarHBondContact O-N 2.95Å; A239-I279 HydrophobicContact CB-CG2 4.37Å |
| 240 | V | 84.5 | Confident | 83 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -79.8 | -46.6 | -177.9 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | D238 N242 E243 V244 F251 I253 H286 T292 A294 | D238-V240 VanDerWaalsContact C-N 3.33Å; D238-V240 PolarHBondContact O-N 2.96Å; D238-V240 PolarHBondContact OD1-N 3.37Å; V240-N242 PolarHBondContact O-N 3.48Å; V240-E243 PolarHBondContact O-N 3.24Å; V240-V244 WeakPolarHBondContact O-CG2 3.36Å; V240-V244 PolarHBondContact O-N 3.34Å; V240-F251 HydrophobicContact CG1-CD1 4.08Å; V240-I253 HydrophobicContact CG1-CD1 4.4Å; V240-I253 HydrophobicContact CG2-CD1 3.71Å; V240-H286 VanDerWaalsContact CG2-CE1 3.49Å; V240-H286 WeakPolarHBondContact CG2-CE1 3.27Å; V240-H286 WeakPolarHBondContact CG2-NE2 3.35Å; V240-T292 HydrophobicContact CG1-CG2 4.38Å; V240-A294 HydrophobicContact CG1-CB 3.9Å |
| 241 | L | 87.6 | Confident | 85 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.4 | -36.7 | -178.1 | -57.8 | 177.9 | 0 | 0 | 0 | 112 | Y212 F221 L234 D238 V244 L245 V306 | Y212-L241 HydrophobicContact CD1-CD1 4.13Å; Y212-L241 HydrophobicContact CD2-CD1 4.33Å; Y212-L241 HydrophobicContact CD2-CD2 3.84Å; Y212-L241 HydrophobicContact CE1-CD1 4.46Å; Y212-L241 HydrophobicContact CE2-CD2 4.26Å; Y212-L241 HydrophobicContact CG-CD1 4.05Å; Y212-L241 HydrophobicContact CG-CD2 4.25Å; F221-L241 HydrophobicContact CB-CD1 3.95Å; F221-L241 HydrophobicContact CD1-CD1 4.45Å; F221-L241 HydrophobicContact CD2-CB 3.83Å; F221-L241 HydrophobicContact CD2-CD1 3.79Å; F221-L241 HydrophobicContact CD2-CG 4.45Å; F221-L241 HydrophobicContact CE2-CB 3.59Å; F221-L241 HydrophobicContact CE2-CD1 4.41Å; F221-L241 HydrophobicContact CG-CB 4.44Å; F221-L241 HydrophobicContact CG-CD1 3.81Å; F221-L241 HydrophobicContact CZ-CB 4.01Å; L234-L241 HydrophobicContact CD1-CD1 3.86Å; D238-L241 HydrophobicContact CB-CB 4.16Å; D238-L241 HydrophobicContact CB-CD1 4.19Å; D238-L241 HydrophobicContact CB-CG 4.3Å; D238-L241 PolarHBondContact O-N 3.44Å; D238-L241 WeakPolarHBondContact OD1-CG 3.48Å; D238-L241 PolarHBondContact OD1-N 3.19Å; L241-V244 PolarHBondContact O-N 3.47Å; L241-L245 WeakPolarHBondContact O-CB 3.31Å; L241-L245 PolarHBondContact O-N 2.98Å; L241-V306 HydrophobicContact CD2-CB 3.95Å; L241-V306 HydrophobicContact CD2-CG1 3.61Å |
| 242 | N | 87.1 | Confident | 86 | Confident | 67 Ų | 67 | 39 Ų | 39 | 36% | 0.358 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.4 | -39.8 | 177.4 | -173 | 46.6 | 0 | 0 | 0 | 112.4 | A236 D238 V240 V244 L245 S246 | A236-N242 WeakPolarHBondContact O-CB 3.4Å; A236-N242 PolarHBondContact O-OD1 3.01Å; D238-N242 WeakPolarHBondContact O-CA 3.41Å; D238-N242 WeakPolarHBondContact O-CB 3.44Å; D238-N242 PolarHBondContact O-N 3.33Å; V240-N242 PolarHBondContact O-N 3.48Å; N242-V244 VanDerWaalsContact C-N 3.31Å; N242-V244 PolarHBondContact O-N 3.42Å; N242-L245 PolarHBondContact O-N 3.48Å; N242-S246 WeakPolarHBondContact O-CB 3.33Å; N242-S246 PolarHBondContact O-N 3.32Å; N242-S246 PolarHBondContact O-OG 3.43Å |
| 243 | E | 87 | Confident | 86.4 | Confident | 38 Ų | 38 | 34.8 Ų | 34.8 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -44 | 176.4 | -168.1 | 78.8 | 178.1 | 0 | 0 | 109.9 | A239 V240 S246 T247 F251 N272 R274 | A239-E243 PolarHBondContact O-N 2.95Å; V240-E243 PolarHBondContact O-N 3.24Å; E243-S246 PolarHBondContact O-N 3.44Å; E243-S246 PolarHBondContact O-OG 3.18Å; E243-S246 VanDerWaalsContact O-OG 3.08Å; E243-T247 WeakPolarHBondContact O-CB 3.42Å; E243-T247 WeakPolarHBondContact O-CG2 3.31Å; E243-T247 PolarHBondContact O-N 3.22Å; E243-T247 PolarHBondContact O-OG1 3.36Å; E243-F251 HydrophobicContact CB-CD1 4.24Å; E243-F251 HydrophobicContact CB-CE1 4.09Å; E243-F251 HydrophobicContact CB-CZ 4.39Å; E243-F251 HydrophobicContact CG-CD1 4.31Å; E243-F251 HydrophobicContact CG-CD2 4.16Å; E243-F251 HydrophobicContact CG-CE1 4.12Å; E243-F251 HydrophobicContact CG-CE2 3.97Å; E243-F251 HydrophobicContact CG-CG 4.35Å; E243-F251 HydrophobicContact CG-CZ 3.95Å; E243-N272 PolarHBondContact OE1-ND2 2.87Å; E243-R274 IonicContact OE1-CZ 3.09Å; E243-R274 IonicContact OE1-NH1 2.58Å; E243-R274 IonicContact OE1-NH2 2.74Å; E243-R274 PolarHBondContact OE1-NH2 3.36Å |
| 244 | V | 90 | Very high | 86.3 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -40.2 | 175.6 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | V240 L241 N242 S246 L248 F251 A294 P296 V306 | V240-V244 WeakPolarHBondContact O-CG2 3.36Å; V240-V244 PolarHBondContact O-N 3.34Å; L241-V244 PolarHBondContact O-N 3.47Å; N242-V244 VanDerWaalsContact C-N 3.31Å; N242-V244 PolarHBondContact O-N 3.42Å; V244-S246 PolarHBondContact O-N 2.94Å; V244-L248 VanDerWaalsContact O-CA 3.32Å; V244-L248 WeakPolarHBondContact O-CA 3.18Å; V244-L248 PolarHBondContact O-N 3.4Å; V244-F251 HydrophobicContact CG2-CB 3.76Å; V244-A294 HydrophobicContact CG2-CB 3.84Å; V244-P296 HydrophobicContact CG1-CB 3.7Å; V244-P296 HydrophobicContact CG1-CG 4.03Å; V244-V306 HydrophobicContact CB-CG1 4.31Å; V244-V306 HydrophobicContact CB-CG2 4.37Å; V244-V306 HydrophobicContact CG1-CG1 3.98Å; V244-V306 HydrophobicContact CG1-CG2 3.85Å |
| 245 | L | 87.9 | Confident | 85.8 | Confident | 33 Ų | 33 | 35.3 Ų | 35.3 | 17% | 0.173 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -42.8 | 178.4 | -177.8 | 62.8 | 0 | 0 | 0 | 112.3 | F214 F221 A236 L241 N242 I303 | F214-L245 HydrophobicContact CD1-CD1 4.13Å; F214-L245 HydrophobicContact CD2-CD1 4.4Å; F214-L245 HydrophobicContact CD2-CD2 4.49Å; F214-L245 HydrophobicContact CE1-CD1 3.97Å; F214-L245 HydrophobicContact CE2-CD1 4.27Å; F214-L245 HydrophobicContact CE2-CD2 3.8Å; F214-L245 HydrophobicContact CG-CD1 4.34Å; F214-L245 HydrophobicContact CZ-CD1 4.06Å; F214-L245 HydrophobicContact CZ-CD2 3.84Å; F221-L245 HydrophobicContact CE2-CD2 4.08Å; F221-L245 HydrophobicContact CZ-CB 4.11Å; F221-L245 HydrophobicContact CZ-CD1 4.11Å; F221-L245 HydrophobicContact CZ-CD2 3.99Å; F221-L245 HydrophobicContact CZ-CG 4.3Å; A236-L245 HydrophobicContact CB-CD2 4.16Å; L241-L245 WeakPolarHBondContact O-CB 3.31Å; L241-L245 PolarHBondContact O-N 2.98Å; N242-L245 PolarHBondContact O-N 3.48Å; L245-I303 HydrophobicContact CD1-CB 4.23Å; L245-I303 HydrophobicContact CD1-CD1 3.85Å; L245-I303 HydrophobicContact CD1-CG2 3.18Å |
| 246 | S | 86.6 | Confident | 84.8 | Confident | 79 Ų | 79 | 35.3 Ų | 35.3 | 55% | 0.552 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -80.1 | -38.3 | -175.7 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | N242 E243 V244 | N242-S246 WeakPolarHBondContact O-CB 3.33Å; N242-S246 PolarHBondContact O-N 3.32Å; N242-S246 PolarHBondContact O-OG 3.43Å; E243-S246 PolarHBondContact O-N 3.44Å; E243-S246 PolarHBondContact O-OG 3.18Å; E243-S246 VanDerWaalsContact O-OG 3.08Å; V244-S246 PolarHBondContact O-N 2.94Å |
| 247 | T | 87.6 | Confident | 83.6 | Confident | 49 Ų | 49 | 39.6 Ų | 39.6 | 30% | 0.301 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -89.5 | -28.2 | -176.8 | 61.3 | 0 | 0 | 0 | 0 | 113.1 | E243 E249 | E243-T247 WeakPolarHBondContact O-CB 3.42Å; E243-T247 WeakPolarHBondContact O-CG2 3.31Å; E243-T247 PolarHBondContact O-N 3.22Å; E243-T247 PolarHBondContact O-OG1 3.36Å; T247-E249 PolarHBondContact O-N 3.47Å; T247-E249 PolarHBondContact OG1-N 2.9Å |
| 248 | L | 88.7 | Confident | 81.8 | Confident | 61 Ų | 61 | 43.2 Ų | 43.2 | 32% | 0.319 | 24% | 0.238 | S | C | . | . | trans | 55 | 28.2 | -165.9 | -56.2 | 174.7 | 0 | 0 | 0 | 112.9 | V244 P296 A298 I303 | V244-L248 VanDerWaalsContact O-CA 3.32Å; V244-L248 WeakPolarHBondContact O-CA 3.18Å; V244-L248 PolarHBondContact O-N 3.4Å; L248-P296 HydrophobicContact CD2-CB 4.46Å; L248-A298 HydrophobicContact CD2-CB 4.39Å; L248-I303 HydrophobicContact CD2-CB 4.03Å; L248-I303 HydrophobicContact CD2-CD1 4.16Å; L248-I303 HydrophobicContact CD2-CG1 4.44Å | ||
| 249 | E | 89.3 | Confident | 79.7 | Confident | 23 Ų | 23 | 44.8 Ų | 44.8 | 11% | 0.107 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -107.6 | 161.4 | 178.9 | -63.8 | -171 | 159.6 | 0 | 0 | 111.8 | T247 H267 K270 P296 | T247-E249 PolarHBondContact O-N 3.47Å; T247-E249 PolarHBondContact OG1-N 2.9Å; E249-H267 IonicContact OE1-ND1 3.03Å; E249-H267 IonicContact OE2-ND1 3.92Å; E249-K270 HydrophobicContact CB-CB 4.43Å; E249-K270 WeakPolarHBondContact CB-O 3.32Å; E249-K270 HydrophobicContact CG-CB 3.94Å; E249-K270 HydrophobicContact CG-CG 4.39Å; E249-P296 WeakPolarHBondContact O-CD 3.49Å |
| 250 | I | 91.4 | Very high | 77.5 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 130.5 | 170.7 | -60.8 | 169.8 | 0 | 0 | 0 | 107.9 | K270 V271 N272 L293 A294 F295 V323 V326 R327 | I250-K270 PolarHBondContact N-O 3.43Å; I250-V271 HydrophobicContact CB-CG2 3.96Å; I250-V271 HydrophobicContact CD1-CG2 4.37Å; I250-V271 HydrophobicContact CG2-CG2 4.45Å; I250-V271 WeakPolarHBondContact O-CA 3.25Å; I250-N272 PolarHBondContact O-N 3.21Å; I250-L293 HydrophobicContact CG2-CD1 3.6Å; I250-A294 CarbonylContact C-O 3.5Å; I250-A294 WeakPolarHBondContact CA-O 3.45Å; I250-F295 HydrophobicContact CB-CB 4.47Å; I250-F295 HydrophobicContact CG1-CB 3.9Å; I250-F295 HydrophobicContact CG2-CB 4.43Å; I250-V323 HydrophobicContact CD1-CG1 4.24Å; I250-V323 HydrophobicContact CG2-CG1 4.29Å; I250-V326 HydrophobicContact CD1-CB 4.43Å; I250-V326 HydrophobicContact CD1-CG1 3.85Å; I250-V326 HydrophobicContact CG1-CG1 4.27Å; I250-R327 HydrophobicContact CD1-CG 3.44Å; I250-R327 VanDerWaalsContact CD1-CG 3.44Å |
| 251 | F | 90.3 | Very high | 75.6 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 116.7 | -178.1 | -165.7 | -139.1 | 0 | 0 | 0 | 110.3 | V240 E243 V244 I253 N272 R274 I279 L293 A294 | V240-F251 HydrophobicContact CG1-CD1 4.08Å; E243-F251 HydrophobicContact CB-CD1 4.24Å; E243-F251 HydrophobicContact CB-CE1 4.09Å; E243-F251 HydrophobicContact CB-CZ 4.39Å; E243-F251 HydrophobicContact CG-CD1 4.31Å; E243-F251 HydrophobicContact CG-CD2 4.16Å; E243-F251 HydrophobicContact CG-CE1 4.12Å; E243-F251 HydrophobicContact CG-CE2 3.97Å; E243-F251 HydrophobicContact CG-CG 4.35Å; E243-F251 HydrophobicContact CG-CZ 3.95Å; V244-F251 HydrophobicContact CG2-CB 3.76Å; F251-I253 HydrophobicContact CD1-CD1 4.02Å; F251-I253 HydrophobicContact CD1-CG1 4.1Å; F251-I253 HydrophobicContact CE1-CD1 3.69Å; F251-I253 HydrophobicContact CE1-CG1 3.9Å; F251-I253 HydrophobicContact CZ-CD1 4.4Å; F251-I253 HydrophobicContact CZ-CG1 4.27Å; F251-N272 WeakPolarHBondContact CA-O 3.43Å; F251-N272 HydrophobicContact CD2-CB 3.82Å; F251-N272 VanDerWaalsContact CD2-O 3.25Å; F251-N272 WeakPolarHBondContact CD2-O 2.93Å; F251-N272 HydrophobicContact CE2-CB 4.34Å; F251-R274 HydrophobicContact CE2-CB 4.15Å; F251-R274 HydrophobicContact CE2-CG 3.86Å; F251-R274 HydrophobicContact CZ-CB 4.36Å; F251-R274 HydrophobicContact CZ-CG 4.31Å; F251-I279 HydrophobicContact CE1-CD1 4.06Å; F251-I279 HydrophobicContact CZ-CD1 3.79Å; F251-I279 HydrophobicContact CZ-CG1 4.32Å; F251-L293 WeakPolarHBondContact O-CA 3.4Å; F251-A294 PolarHBondContact N-O 2.96Å; F251-A294 PolarHBondContact O-N 2.64Å |
| 252 | N | 89.5 | Confident | 73.4 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 113.4 | -176.1 | -177.9 | 17.9 | 0 | 0 | 0 | 110.3 | N272 N273 R274 L293 | N252-N272 PolarHBondContact N-O 3.47Å; N252-N273 WeakPolarHBondContact CB-OD1 3.41Å; N252-N273 PolarHBondContact ND2-OD1 2.94Å; N252-N273 CarbonylContact O-C 3.46Å; N252-N273 WeakPolarHBondContact O-CA 3.39Å; N252-R274 PolarHBondContact O-N 3.06Å; N252-L293 HydrophobicContact CB-CD1 3.8Å |
| 253 | I | 87.2 | Confident | 71.6 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 119.1 | -177.4 | -48.5 | 174.7 | 0 | 0 | 0 | 108.8 | V240 F251 R274 L276 I279 N291 T292 | V240-I253 HydrophobicContact CG1-CD1 4.4Å; V240-I253 HydrophobicContact CG2-CD1 3.71Å; F251-I253 HydrophobicContact CD1-CD1 4.02Å; F251-I253 HydrophobicContact CD1-CG1 4.1Å; F251-I253 HydrophobicContact CE1-CD1 3.69Å; F251-I253 HydrophobicContact CE1-CG1 3.9Å; F251-I253 HydrophobicContact CZ-CD1 4.4Å; F251-I253 HydrophobicContact CZ-CG1 4.27Å; I253-R274 VanDerWaalsContact CA-O 3.31Å; I253-R274 WeakPolarHBondContact CA-O 3.27Å; I253-L276 HydrophobicContact CG2-CB 4.14Å; I253-L276 HydrophobicContact CG2-CD1 3.85Å; I253-L276 HydrophobicContact CG2-CG 4.03Å; I253-I279 HydrophobicContact CB-CD1 4.36Å; I253-I279 HydrophobicContact CD1-CD1 3.5Å; I253-I279 HydrophobicContact CG1-CD1 3.72Å; I253-I279 HydrophobicContact CG2-CD1 3.73Å; I253-N291 CarbonylContact O-C 3.59Å; I253-N291 VanDerWaalsContact O-CA 3.23Å; I253-N291 WeakPolarHBondContact O-CA 3.47Å; I253-N291 WeakPolarHBondContact O-CB 3.29Å; I253-T292 HydrophobicContact CD1-CG2 4.39Å; I253-T292 PolarHBondContact N-O 2.89Å; I253-T292 PolarHBondContact O-N 3.39Å |
| 254 | S | 81.6 | Confident | 69.9 | Low | 23 Ų | 23 | 65.8 Ų | 65.8 | 16% | 0.161 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 149.7 | -178 | -72 | 0 | 0 | 0 | 0 | 112.8 | R274 L276 N317 | S254-R274 PolarHBondContact N-O 2.9Å; S254-L276 PolarHBondContact O-N 3.23Å; S254-N317 WeakPolarHBondContact CA-OD1 3.39Å; S254-N317 VanDerWaalsContact CB-CG 3.5Å |
| 255 | R | 74.7 | Confident | 68 | Low | 109 Ų | 109 | 68.9 Ų | 68.9 | 41% | 0.411 | 40% | 0.396 | S | S | . | . | trans | -61.3 | 141.9 | 161.8 | -80.4 | -162.9 | 163.9 | 127.4 | 4.2 | 109.4 | N257 F290 N317 | R255-N257 PolarHBondContact O-N 3.2Å; R255-F290 HydrophobicContact CG-CB 3.86Å; R255-F290 WeakPolarHBondContact CG-O 3.44Å; R255-F290 VanDerWaalsContact CZ-CD2 3.49Å; R255-N317 PolarHBondContact N-OD1 2.92Å; R255-N317 PolarHBondContact O-ND2 2.9Å | ||
| 256 | P | 62.7 | Low | 66.4 | Low | 74 Ų | 74 | 69.9 Ų | 69.9 | 48% | 0.481 | 40% | 0.401 | S | S | . | . | trans | -62.1 | 122.9 | 167.1 | -8.8 | 22.8 | 0 | 0 | 0 | 109.3 | T277 | P256-T277 HydrophobicContact CG-CG2 3.9Š| ||
| 257 | N | 56.2 | Low | 65 | Low | 96 Ų | 96 | 72.3 Ų | 72.3 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | trans | -117.9 | 152.3 | 167.7 | -87.4 | -9.4 | 0 | 0 | 0 | 109.1 | R255 A259 | R255-N257 PolarHBondContact O-N 3.2Å; N257-A259 CarbonylContact O-C 3.56Å; N257-A259 PolarHBondContact O-N 3.26Å | ||
| 258 | D | 42.1 | Very low | 63.3 | Low | 185 Ų | 185 | 74.8 Ų | 74.8 | 99% | 0.989 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -56.5 | -6.7 | -173.5 | -68.9 | -38.7 | 0 | 0 | 0 | 116.3 | ||
| 259 | A | 39.6 | Very low | 61.8 | Low | 61 Ų | 61 | 77.6 Ų | 77.6 | 50% | 0.504 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -102 | 98.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | N257 D261 | N257-A259 CarbonylContact O-C 3.56Å; N257-A259 PolarHBondContact O-N 3.26Å; A259-D261 PolarHBondContact O-N 3.41Å |
| 260 | A | 36 | Very low | 60.9 | Low | 93 Ų | 93 | 83 Ų | 83 | 77% | 0.769 | 46% | 0.456 | S | S | * | . | trans | -52.7 | 100.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 261 | D | 43.4 | Very low | 59.8 | Low | 112 Ų | 112 | 83.1 Ų | 83.1 | 60% | 0.599 | 46% | 0.457 | S | S | * | . | trans | -95.2 | 107.3 | 150.1 | -71 | -25.8 | 0 | 0 | 0 | 105.2 | R70 A259 | R70-D261 IonicContact NH2-OD1 2.89Å; A259-D261 PolarHBondContact O-N 3.41Å | ||
| 262 | E | 43 | Very low | 59.1 | Low | 162 Ų | 162 | 83.4 Ų | 83.4 | 76% | 0.757 | 46% | 0.458 | S | S | * | . | trans | -50.2 | 141.9 | 172.6 | -70.1 | 176.6 | 158.1 | 0 | 0 | 109.3 | Q264 | E262-Q264 VanDerWaalsContact C-N 3.33Å; E262-Q264 PolarHBondContact O-N 3.38Å | ||
| 263 | A | 49.3 | Very low | 58.4 | Low | 64 Ų | 64 | 85.7 Ų | 85.7 | 53% | 0.529 | 47% | 0.471 | S | S | . | . | trans | -54.2 | 96.7 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 264 | Q | 51.1 | Low | 57.8 | Low | 143 Ų | 143 | 89.1 Ų | 89.1 | 67% | 0.668 | 48% | 0.483 | S | S | * | . | trans | -102.5 | 106.5 | 174.9 | -86.3 | -175.8 | -7.8 | 0 | 0 | 108.8 | E262 D266 N273 | E262-Q264 VanDerWaalsContact C-N 3.33Å; E262-Q264 PolarHBondContact O-N 3.38Å; Q264-D266 PolarHBondContact O-N 3.01Å; Q264-N273 PolarHBondContact O-ND2 3.22Å | ||
| 265 | T | 50.7 | Low | 57.3 | Low | 66 Ų | 66 | 90.4 Ų | 90.4 | 41% | 0.405 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 110.7 | 160.2 | 21.1 | 0 | 0 | 0 | 0 | 108.6 | H267 N272 | T265-H267 PolarHBondContact O-N 2.93Å; T265-N272 HydrophobicContact CG2-CB 3.98Å; T265-N272 WeakPolarHBondContact CG2-OD1 3.49Å |
| 266 | D | 54.3 | Low | 57 | Low | 54 Ų | 54 | 87.5 Ų | 87.5 | 29% | 0.289 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 84 | 170.8 | -171.2 | -6.1 | 0 | 0 | 0 | 108.5 | Q264 S268 K269 K270 V271 | Q264-D266 PolarHBondContact O-N 3.01Å; D266-S268 PolarHBondContact O-N 2.74Å; D266-S268 VanDerWaalsContact O-N 3.16Å; D266-S268 WeakPolarHBondContact OD1-CB 3.26Å; D266-S268 PolarHBondContact OD1-N 3.06Å; D266-S268 PolarHBondContact OD1-OG 3.15Å; D266-K269 PolarHBondContact O-N 2.97Å; D266-K269 WeakPolarHBondContact OD2-CD 3.37Å; D266-K269 WeakPolarHBondContact OD2-CE 3.47Å; D266-K269 WeakPolarHBondContact OD2-CG 3.26Å; D266-K269 IonicContact OD2-NZ 2.94Å; D266-K269 PolarHBondContact OD2-NZ 2.78Å; D266-K270 PolarHBondContact O-N 3.4Å; D266-V271 PolarHBondContact N-O 3.4Å |
| 267 | H | 56.2 | Low | 57.3 | Low | 129 Ų | 129 | 89.3 Ų | 89.3 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -58.4 | -25.1 | 178.2 | -70 | -53.2 | 0 | 0 | 0 | 112.6 | E249 T265 K269 K270 | E249-H267 IonicContact OE1-ND1 3.03Å; E249-H267 IonicContact OE2-ND1 3.92Å; T265-H267 PolarHBondContact O-N 2.93Å; H267-K269 PolarHBondContact O-N 3.44Å; H267-K270 PolarHBondContact O-N 3.43Å |
| 268 | S | 51.5 | Low | 57.8 | Low | 102 Ų | 102 | 88.3 Ų | 88.3 | 71% | 0.713 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -66.4 | -26 | 176.8 | 80.3 | 0 | 0 | 0 | 0 | 112.2 | D266 | D266-S268 PolarHBondContact O-N 2.74Å; D266-S268 VanDerWaalsContact O-N 3.16Å; D266-S268 WeakPolarHBondContact OD1-CB 3.26Å; D266-S268 PolarHBondContact OD1-N 3.06Å; D266-S268 PolarHBondContact OD1-OG 3.15Å |
| 269 | K | 57.9 | Low | 59 | Low | 120 Ų | 120 | 80.2 Ų | 80.2 | 52% | 0.522 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -112.4 | 10.3 | -179.8 | -51.2 | -179.1 | -173.5 | 152.5 | 0 | 113.9 | D266 H267 V271 R327 | D266-K269 PolarHBondContact O-N 2.97Å; D266-K269 WeakPolarHBondContact OD2-CD 3.37Å; D266-K269 WeakPolarHBondContact OD2-CE 3.47Å; D266-K269 WeakPolarHBondContact OD2-CG 3.26Å; D266-K269 IonicContact OD2-NZ 2.94Å; D266-K269 PolarHBondContact OD2-NZ 2.78Å; H267-K269 PolarHBondContact O-N 3.44Å; K269-V271 VanDerWaalsContact C-N 3.32Å; K269-V271 PolarHBondContact O-N 3.08Å; K269-R327 PolarHBondContact O-NE 3.45Å; K269-R327 PolarHBondContact O-NH2 2.92Å |
| 270 | K | 71.1 | Confident | 60.2 | Low | 137 Ų | 137 | 81.9 Ų | 81.9 | 60% | 0.596 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 46 | 178.5 | -64.7 | -173.4 | 175 | -171.8 | 0 | 113.5 | E249 I250 D266 H267 | E249-K270 HydrophobicContact CB-CB 4.43Å; E249-K270 WeakPolarHBondContact CB-O 3.32Å; E249-K270 HydrophobicContact CG-CB 3.94Å; E249-K270 HydrophobicContact CG-CG 4.39Å; I250-K270 PolarHBondContact N-O 3.43Å; D266-K270 PolarHBondContact O-N 3.4Å; H267-K270 PolarHBondContact O-N 3.43Å |
| 271 | V | 68.2 | Low | 61.5 | Low | 6 Ų | 6 | 84.7 Ų | 84.7 | 4% | 0.036 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.7 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | I250 D266 K269 V323 | I250-V271 HydrophobicContact CB-CG2 3.96Å; I250-V271 HydrophobicContact CD1-CG2 4.37Å; I250-V271 HydrophobicContact CG2-CG2 4.45Å; I250-V271 WeakPolarHBondContact O-CA 3.25Å; D266-V271 PolarHBondContact N-O 3.4Å; K269-V271 VanDerWaalsContact C-N 3.32Å; K269-V271 PolarHBondContact O-N 3.08Å; V271-V323 HydrophobicContact CG1-CG1 4.35Å; V271-V323 HydrophobicContact CG2-CG1 3.45Å; V271-V323 VanDerWaalsContact CG2-CG1 3.45Å |
| 272 | N | 75.6 | Confident | 62.5 | Low | 7 Ų | 7 | 81.4 Ų | 81.4 | 4% | 0.037 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 104.6 | 177.5 | -173.8 | -4.3 | 0 | 0 | 0 | 108.2 | E243 I250 F251 N252 T265 | E243-N272 PolarHBondContact OE1-ND2 2.87Å; I250-N272 PolarHBondContact O-N 3.21Å; F251-N272 WeakPolarHBondContact CA-O 3.43Å; F251-N272 HydrophobicContact CD2-CB 3.82Å; F251-N272 VanDerWaalsContact CD2-O 3.25Å; F251-N272 WeakPolarHBondContact CD2-O 2.93Å; F251-N272 HydrophobicContact CE2-CB 4.34Å; N252-N272 PolarHBondContact N-O 3.47Å; T265-N272 HydrophobicContact CG2-CB 3.98Å; T265-N272 WeakPolarHBondContact CG2-OD1 3.49Å |
| 273 | N | 73.5 | Confident | 63.5 | Low | 56 Ų | 56 | 75.9 Ų | 75.9 | 30% | 0.299 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.2 | 178 | -64.1 | -59.6 | 0 | 0 | 0 | 109.4 | N252 Q264 | N252-N273 WeakPolarHBondContact CB-OD1 3.41Å; N252-N273 PolarHBondContact ND2-OD1 2.94Å; N252-N273 CarbonylContact O-C 3.46Å; N252-N273 WeakPolarHBondContact O-CA 3.39Å; Q264-N273 PolarHBondContact O-ND2 3.22Å |
| 274 | R | 75.2 | Confident | 64.2 | Low | 73 Ų | 73 | 81.8 Ų | 81.8 | 28% | 0.275 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 155.9 | 175.3 | -73.1 | -162.8 | -173.7 | 162.9 | 11.6 | 112.4 | E243 F251 N252 I253 S254 I279 | E243-R274 IonicContact OE1-CZ 3.09Å; E243-R274 IonicContact OE1-NH1 2.58Å; E243-R274 IonicContact OE1-NH2 2.74Å; E243-R274 PolarHBondContact OE1-NH2 3.36Å; F251-R274 HydrophobicContact CE2-CB 4.15Å; F251-R274 HydrophobicContact CE2-CG 3.86Å; F251-R274 HydrophobicContact CZ-CB 4.36Å; F251-R274 HydrophobicContact CZ-CG 4.31Å; N252-R274 PolarHBondContact O-N 3.06Å; I253-R274 VanDerWaalsContact CA-O 3.31Å; I253-R274 WeakPolarHBondContact CA-O 3.27Å; S254-R274 PolarHBondContact N-O 2.9Å; R274-I279 HydrophobicContact CB-CD1 4.14Å; R274-I279 HydrophobicContact CB-CG1 4.19Å |
| 275 | N | 70.5 | Confident | 65.1 | Low | 49 Ų | 49 | 77.4 Ų | 77.4 | 26% | 0.262 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 145.4 | 169.9 | -73.1 | -31.2 | 0 | 0 | 0 | 109.7 | T277 T278 | N275-T277 PolarHBondContact O-N 3Å; N275-T278 HydrophobicContact CB-CG2 4.29Å; N275-T278 PolarHBondContact O-N 3.45Å; N275-T278 PolarHBondContact O-OG1 2.66Å |
| 276 | L | 69.6 | Low | 66 | Low | 48 Ų | 48 | 74.6 Ų | 74.6 | 25% | 0.251 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -56.4 | -30 | -178.2 | -143.2 | 122.8 | 0 | 0 | 0 | 112.8 | I253 S254 T278 F290 | I253-L276 HydrophobicContact CG2-CB 4.14Å; I253-L276 HydrophobicContact CG2-CD1 3.85Å; I253-L276 HydrophobicContact CG2-CG 4.03Å; S254-L276 PolarHBondContact O-N 3.23Å; L276-T278 VanDerWaalsContact C-N 3.35Å; L276-T278 PolarHBondContact O-N 3.32Å; L276-F290 WeakPolarHBondContact CD1-O 3.26Å |
| 277 | T | 67.7 | Low | 66.6 | Low | 112 Ų | 112 | 76.3 Ų | 76.3 | 69% | 0.687 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -75.7 | -15.4 | 179.6 | 53.3 | 0 | 0 | 0 | 0 | 114.6 | P256 N275 | P256-T277 HydrophobicContact CG-CG2 3.9Å; N275-T277 PolarHBondContact O-N 3Å |
| 278 | T | 68.1 | Low | 67.5 | Low | 76 Ų | 76 | 78.9 Ų | 78.9 | 47% | 0.466 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -98.9 | -1.8 | -173.8 | 62.6 | 0 | 0 | 0 | 0 | 114 | N275 L276 P280 | N275-T278 HydrophobicContact CB-CG2 4.29Å; N275-T278 PolarHBondContact O-N 3.45Å; N275-T278 PolarHBondContact O-OG1 2.66Å; L276-T278 VanDerWaalsContact C-N 3.35Å; L276-T278 PolarHBondContact O-N 3.32Å; T278-P280 WeakPolarHBondContact O-CD 3.46Å |
| 279 | I | 67.2 | Low | 68.7 | Low | 15 Ų | 15 | 74.9 Ų | 74.9 | 8% | 0.077 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -98.1 | 115.1 | -177.4 | -61.1 | 169.2 | 0 | 0 | 0 | 108.4 | A239 F251 I253 R274 L282 | A239-I279 HydrophobicContact CB-CG2 4.37Å; F251-I279 HydrophobicContact CE1-CD1 4.06Å; F251-I279 HydrophobicContact CZ-CD1 3.79Å; F251-I279 HydrophobicContact CZ-CG1 4.32Å; I253-I279 HydrophobicContact CB-CD1 4.36Å; I253-I279 HydrophobicContact CD1-CD1 3.5Å; I253-I279 HydrophobicContact CG1-CD1 3.72Å; I253-I279 HydrophobicContact CG2-CD1 3.73Å; R274-I279 HydrophobicContact CB-CD1 4.14Å; R274-I279 HydrophobicContact CB-CG1 4.19Å; I279-L282 HydrophobicContact CB-CD1 3.33Å; I279-L282 HydrophobicContact CB-CG 4.45Å; I279-L282 HydrophobicContact CD1-CD1 4.22Å; I279-L282 HydrophobicContact CG1-CD1 4.33Å; I279-L282 HydrophobicContact CG2-CD1 3.41Å; I279-L282 VanDerWaalsContact CG2-CD1 3.41Å; I279-L282 HydrophobicContact CG2-CG 4.06Å; I279-L282 WeakPolarHBondContact O-CD1 3.4Å |
| 280 | P | 63.7 | Low | 69.7 | Low | 95 Ų | 95 | 71.3 Ų | 71.3 | 62% | 0.617 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 141.6 | 178.4 | -13.9 | 27.5 | 0 | 0 | 0 | 110.6 | T278 L282 | T278-P280 WeakPolarHBondContact O-CD 3.46Å; P280-L282 PolarHBondContact O-N 3.4Å |
| 281 | N | 64.1 | Low | 70.4 | Confident | 153 Ų | 153 | 64.8 Ų | 64.8 | 82% | 0.818 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 42.2 | 172 | -58.7 | -27.8 | 0 | 0 | 0 | 114.9 | G283 | N281-G283 VanDerWaalsContact C-N 3.28Å; N281-G283 PolarHBondContact O-N 2.99Å |
| 282 | L | 65.2 | Low | 71.4 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 23% | 0.225 | 35% | 0.353 | C | S | . | . | trans | -60 | 99.9 | 157.2 | -88.2 | 110.8 | 0 | 0 | 0 | 107 | I279 P280 H286 | I279-L282 HydrophobicContact CB-CD1 3.33Å; I279-L282 HydrophobicContact CB-CG 4.45Å; I279-L282 HydrophobicContact CD1-CD1 4.22Å; I279-L282 HydrophobicContact CG1-CD1 4.33Å; I279-L282 HydrophobicContact CG2-CD1 3.41Å; I279-L282 VanDerWaalsContact CG2-CD1 3.41Å; I279-L282 HydrophobicContact CG2-CG 4.06Å; I279-L282 WeakPolarHBondContact O-CD1 3.4Å; P280-L282 PolarHBondContact O-N 3.4Å; L282-H286 HydrophobicContact CB-CB 4.22Å; L282-H286 HydrophobicContact CD2-CB 3.3Å; L282-H286 HydrophobicContact CG-CB 4.26Å | ||
| 283 | G | 62.8 | Low | 72.3 | Confident | 45 Ų | 45 | 64.3 Ų | 64.3 | 46% | 0.464 | 35% | 0.351 | S | S | . | . | trans | -60.2 | 177.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | N281 R285 H286 | N281-G283 VanDerWaalsContact C-N 3.28Å; N281-G283 PolarHBondContact O-N 2.99Å; G283-R285 PolarHBondContact O-N 2.93Å; G283-H286 PolarHBondContact O-N 3.37Å | ||
| 284 | E | 64.4 | Low | 73.2 | Confident | 188 Ų | 188 | 61.6 Ų | 61.6 | 88% | 0.879 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -52.4 | -26.7 | -178.5 | -67 | -175.2 | 165.5 | 0 | 0 | 114.1 | H286 A287 | E284-H286 PolarHBondContact O-N 3.17Å; E284-H286 VanDerWaalsContact O-N 3.13Å; E284-A287 WeakPolarHBondContact O-CB 3.49Å; E284-A287 PolarHBondContact O-N 3.39Å |
| 285 | R | 70.4 | Confident | 74.2 | Confident | 52 Ų | 52 | 58.2 Ų | 58.2 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -50.8 | -36.7 | 177.3 | -170 | 171.2 | 82.6 | 85.7 | -5.4 | 112.8 | Y212 D238 G283 H289 E308 | Y212-R285 PolarHBondContact OH-NH1 2.91Å; D238-R285 IonicContact OD1-NH2 3.57Å; D238-R285 PolarHBondContact OD1-NH2 3.26Å; D238-R285 IonicContact OD2-CZ 2.74Å; D238-R285 IonicContact OD2-NE 3.33Å; D238-R285 PolarHBondContact OD2-NE 2.9Å; D238-R285 IonicContact OD2-NH2 3.52Å; G283-R285 PolarHBondContact O-N 2.93Å; R285-H289 PolarHBondContact O-CE1 3.16Å; R285-H289 VanDerWaalsContact O-CE1 3.28Å; R285-H289 PolarHBondContact O-ND1 3.08Å; R285-H289 VanDerWaalsContact O-ND1 3.13Å; R285-E308 IonicContact CZ-OE1 2.66Å; R285-E308 IonicContact CZ-OE2 3.98Å; R285-E308 VanDerWaalsContact CZ-OE2 3.31Å; R285-E308 IonicContact NH1-OE1 2.81Å; R285-E308 PolarHBondContact NH1-OE1 3.37Å; R285-E308 IonicContact NH1-OE2 3.45Å; R285-E308 PolarHBondContact NH1-OE2 3.39Å; R285-E308 IonicContact NH2-OE1 2.89Å; R285-E308 PolarHBondContact NH2-OE1 3.28Å; R285-E308 IonicContact NH2-OE2 3.68Å; R285-E308 PolarHBondContact NH2-OE2 3.46Å; R285-E308 VanDerWaalsContact NH2-OE2 3.09Å |
| 286 | H | 69.2 | Low | 75.3 | Confident | 7 Ų | 7 | 56 Ų | 56 | 3% | 0.032 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -99.9 | 1.3 | -176.7 | -67.3 | -84.6 | 0 | 0 | 0 | 114.2 | V240 L282 G283 E284 K288 H289 E308 H310 | V240-H286 VanDerWaalsContact CG2-CE1 3.49Å; V240-H286 WeakPolarHBondContact CG2-CE1 3.27Å; V240-H286 WeakPolarHBondContact CG2-NE2 3.35Å; L282-H286 HydrophobicContact CB-CB 4.22Å; L282-H286 HydrophobicContact CD2-CB 3.3Å; L282-H286 HydrophobicContact CG-CB 4.26Å; G283-H286 PolarHBondContact O-N 3.37Å; E284-H286 PolarHBondContact O-N 3.17Å; E284-H286 VanDerWaalsContact O-N 3.13Å; H286-K288 PolarHBondContact O-N 2.82Å; H286-K288 VanDerWaalsContact O-N 3.08Å; H286-H289 AromaticContact ND1-ND1 3.86Å; H286-H289 PolarHBondContact O-N 3.28Å; H286-H289 VanDerWaalsContact O-O 3.09Å; H286-E308 IonicContact CE1-OE1 3.22Å; H286-E308 PolarHBondContact CE1-OE1 3.45Å; H286-E308 IonicContact NE2-OE1 3.3Å; H286-H310 AromaticContact CE1-CE1 3.9Å; H286-H310 AromaticContact ND1-CE1 3.96Å |
| 287 | A | 67.2 | Low | 76.5 | Confident | 89 Ų | 89 | 53.7 Ų | 53.7 | 74% | 0.736 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | E284 | E284-A287 WeakPolarHBondContact O-CB 3.49Å; E284-A287 PolarHBondContact O-N 3.39Å |
| 288 | K | 73.7 | Confident | 77.6 | Confident | 184 Ų | 184 | 50 Ų | 50 | 80% | 0.8 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -9.6 | 176.3 | -62.1 | -177.4 | -178.6 | 179.2 | 0 | 113.6 | H286 | H286-K288 PolarHBondContact O-N 2.82Å; H286-K288 VanDerWaalsContact O-N 3.08Å |
| 289 | H | 77.9 | Confident | 78.5 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | trans | -103 | 121.3 | -175 | -55.9 | 134.4 | 0 | 0 | 0 | 109.9 | E208 R285 H286 H310 N311 | E208-H289 IonicContact OE2-CD2 2.84Å; E208-H289 IonicContact OE2-CE1 3.55Å; E208-H289 IonicContact OE2-NE2 3.99Å; E208-H289 PolarHBondContact OE2-NE2 3Å; R285-H289 PolarHBondContact O-CE1 3.16Å; R285-H289 VanDerWaalsContact O-CE1 3.28Å; R285-H289 PolarHBondContact O-ND1 3.08Å; R285-H289 VanDerWaalsContact O-ND1 3.13Å; H286-H289 AromaticContact ND1-ND1 3.86Å; H286-H289 PolarHBondContact O-N 3.28Å; H286-H289 VanDerWaalsContact O-O 3.09Å; H289-H310 HydrophobicContact CB-CB 4.19Å; H289-H310 VanDerWaalsContact CD2-CB 3.4Å; H289-H310 WeakPolarHBondContact CD2-CB 3.43Å; H289-H310 AromaticContact CD2-CG 3.52Å; H289-H310 AromaticContact CD2-ND1 3.9Å; H289-H310 AromaticContact CE1-CD2 3.67Å; H289-H310 AromaticContact CE1-CE1 3.77Å; H289-H310 AromaticContact CE1-CG 3.8Å; H289-H310 AromaticContact CE1-ND1 3.88Å; H289-H310 AromaticContact CE1-NE2 3.67Å; H289-H310 AromaticContact CG-CG 3.61Å; H289-H310 AromaticContact CG-ND1 3.48Å; H289-H310 AromaticContact ND1-CE1 3.54Å; H289-H310 AromaticContact ND1-CG 3.81Å; H289-H310 AromaticContact ND1-ND1 3.49Å; H289-H310 PolarHBondContact ND1-ND1 3.15Å; H289-H310 AromaticContact ND1-NE2 3.92Å; H289-H310 AromaticContact NE2-CD2 3.63Å; H289-H310 AromaticContact NE2-CG 3.64Å; H289-N311 WeakPolarHBondContact CA-OD1 3.4Å | ||
| 290 | F | 77.8 | Confident | 79.3 | Confident | 46 Ų | 46 | 60.7 Ų | 60.7 | 20% | 0.202 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -103.4 | -18 | -174.1 | 44.6 | -98.5 | 0 | 0 | 0 | 114.8 | R255 L276 N311 | R255-F290 HydrophobicContact CG-CB 3.86Å; R255-F290 WeakPolarHBondContact CG-O 3.44Å; R255-F290 VanDerWaalsContact CZ-CD2 3.49Å; L276-F290 WeakPolarHBondContact CD1-O 3.26Å; F290-N311 VanDerWaalsContact CD1-OD1 3.24Å; F290-N311 WeakPolarHBondContact CD1-OD1 3.28Å; F290-N311 HydrophobicContact CE1-CB 3.88Å; F290-N311 VanDerWaalsContact CE1-ND2 3.35Å; F290-N311 WeakPolarHBondContact CE1-ND2 3.4Å; F290-N311 WeakPolarHBondContact CE1-OD1 3.39Å; F290-N311 HydrophobicContact CE2-CB 3.84Å; F290-N311 WeakPolarHBondContact CG-OD1 3.35Å; F290-N311 HydrophobicContact CZ-CB 3.48Å; F290-N311 VanDerWaalsContact CZ-CB 3.48Å; F290-N311 VanDerWaalsContact CZ-CG 3.41Å; F290-N311 PolarHBondContact N-OD1 3.15Å |
| 291 | N | 86.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | trans | -141.2 | 153.1 | 163.4 | 58.9 | 50.4 | 0 | 0 | 0 | 107.6 | I253 N311 K312 P316 F318 | I253-N291 CarbonylContact O-C 3.59Å; I253-N291 VanDerWaalsContact O-CA 3.23Å; I253-N291 WeakPolarHBondContact O-CA 3.47Å; I253-N291 WeakPolarHBondContact O-CB 3.29Å; N291-N311 PolarHBondContact O-N 3.12Å; N291-N311 VanDerWaalsContact O-N 3.15Å; N291-N311 WeakPolarHBondContact OD1-CA 3.44Å; N291-N311 PolarHBondContact OD1-N 3.47Å; N291-K312 PolarHBondContact OD1-N 2.92Å; N291-P316 PolarHBondContact ND2-O 3.14Å; N291-F318 HydrophobicContact CB-CD2 4.19Å; N291-F318 HydrophobicContact CB-CE2 4.3Å; N291-F318 WeakPolarHBondContact OD1-CE2 3.33Å | ||
| 292 | T | 89.8 | Confident | 81.1 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 135.2 | -177.5 | -64.2 | 0 | 0 | 0 | 0 | 109.9 | V240 I253 E308 M309 H310 | V240-T292 HydrophobicContact CG1-CG2 4.38Å; I253-T292 HydrophobicContact CD1-CG2 4.39Å; I253-T292 PolarHBondContact N-O 2.89Å; I253-T292 PolarHBondContact O-N 3.39Å; T292-E308 HydrophobicContact CG2-CG 3.76Å; T292-M309 CarbonylContact C-O 3.58Å; T292-M309 VanDerWaalsContact CA-O 3.25Å; T292-M309 WeakPolarHBondContact CA-O 3.44Å; T292-H310 PolarHBondContact OG1-ND1 3.46Å |
| 293 | L | 92.7 | Very high | 82.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 114.1 | 174.2 | -178.5 | 61.3 | 0 | 0 | 0 | 108.6 | I250 F251 N252 M309 F318 D322 V323 V326 | I250-L293 HydrophobicContact CG2-CD1 3.6Å; F251-L293 WeakPolarHBondContact O-CA 3.4Å; N252-L293 HydrophobicContact CB-CD1 3.8Å; L293-M309 HydrophobicContact CB-CE 4.01Å; L293-M309 HydrophobicContact CD2-CE 3.7Å; L293-M309 HydrophobicContact CG-CE 3.76Å; L293-M309 PolarHBondContact N-O 3.19Å; L293-M309 PolarHBondContact O-N 2.76Å; L293-F318 HydrophobicContact CB-CB 4.4Å; L293-F318 HydrophobicContact CB-CD1 3.99Å; L293-F318 HydrophobicContact CB-CD2 3.61Å; L293-F318 HydrophobicContact CB-CE1 4.12Å; L293-F318 HydrophobicContact CB-CE2 3.75Å; L293-F318 HydrophobicContact CB-CG 3.74Å; L293-F318 HydrophobicContact CB-CZ 4.02Å; L293-F318 HydrophobicContact CD2-CB 4.21Å; L293-F318 HydrophobicContact CD2-CD1 3.86Å; L293-F318 HydrophobicContact CD2-CE1 4.43Å; L293-F318 HydrophobicContact CD2-CG 4.04Å; L293-F318 HydrophobicContact CG-CG 4.47Å; L293-D322 HydrophobicContact CD2-CB 4.32Å; L293-V323 HydrophobicContact CD1-CG2 4.05Å; L293-V326 HydrophobicContact CD2-CG2 3.77Å; L293-V326 HydrophobicContact CG-CG2 4.43Å |
| 294 | A | 93.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 143.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V240 V244 I250 F251 V306 V307 E308 | V240-A294 HydrophobicContact CG1-CB 3.9Å; V244-A294 HydrophobicContact CG2-CB 3.84Å; I250-A294 CarbonylContact C-O 3.5Å; I250-A294 WeakPolarHBondContact CA-O 3.45Å; F251-A294 PolarHBondContact N-O 2.96Å; F251-A294 PolarHBondContact O-N 2.64Å; A294-V306 HydrophobicContact CB-CG1 4.49Å; A294-V307 CarbonylContact C-O 3.47Å; A294-V307 VanDerWaalsContact CA-O 3.23Å; A294-V307 WeakPolarHBondContact CA-O 3.48Å; A294-E308 HydrophobicContact CB-CB 4.43Å; A294-E308 HydrophobicContact CB-CG 4.23Å |
| 295 | F | 94.9 | Very high | 84.8 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 148 | 179.7 | 63.5 | -89.9 | 0 | 0 | 0 | 113 | I250 L297 V307 M309 V326 Q330 Y333 | I250-F295 HydrophobicContact CB-CB 4.47Å; I250-F295 HydrophobicContact CG1-CB 3.9Å; I250-F295 HydrophobicContact CG2-CB 4.43Å; F295-L297 HydrophobicContact CD2-CD2 4.24Å; F295-L297 HydrophobicContact CE2-CD2 3.9Å; F295-V307 HydrophobicContact CD1-CB 4.1Å; F295-V307 HydrophobicContact CD1-CG1 4.41Å; F295-V307 HydrophobicContact CD2-CB 4.23Å; F295-V307 HydrophobicContact CE1-CB 3.62Å; F295-V307 HydrophobicContact CE1-CG1 3.57Å; F295-V307 HydrophobicContact CE2-CB 3.78Å; F295-V307 HydrophobicContact CE2-CG1 4.38Å; F295-V307 HydrophobicContact CE2-CG2 3.9Å; F295-V307 HydrophobicContact CG-CB 4.41Å; F295-V307 HydrophobicContact CZ-CB 3.46Å; F295-V307 VanDerWaalsContact CZ-CB 3.46Å; F295-V307 HydrophobicContact CZ-CG1 3.57Å; F295-V307 HydrophobicContact CZ-CG2 3.89Å; F295-V307 PolarHBondContact N-O 2.78Å; F295-V307 PolarHBondContact O-N 3.17Å; F295-M309 HydrophobicContact CD1-CE 3.99Å; F295-M309 HydrophobicContact CE1-CE 3.63Å; F295-V326 HydrophobicContact CB-CG1 3.73Å; F295-V326 HydrophobicContact CD1-CB 4.42Å; F295-V326 HydrophobicContact CD1-CG1 3.34Å; F295-V326 HydrophobicContact CD1-CG2 4.13Å; F295-V326 HydrophobicContact CD2-CG1 3.88Å; F295-V326 HydrophobicContact CE1-CG1 3.78Å; F295-V326 HydrophobicContact CE1-CG2 4.08Å; F295-V326 HydrophobicContact CE2-CG1 4.25Å; F295-V326 HydrophobicContact CG-CG1 3.38Å; F295-V326 HydrophobicContact CZ-CG1 4.2Å; F295-Q330 HydrophobicContact CD2-CG 3.61Å; F295-Q330 HydrophobicContact CE2-CG 4.02Å; F295-Y333 HydrophobicContact CE2-CD2 4.34Å; F295-Y333 HydrophobicContact CZ-CD2 4.3Å; F295-Y333 HydrophobicContact CZ-CE2 4.33Å |
| 296 | P | 95 | Very high | 86 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 146.1 | -176.7 | 31.3 | -32 | 0 | 0 | 0 | 112.1 | V244 L248 E249 I303 Q330 | V244-P296 HydrophobicContact CG1-CB 3.7Å; V244-P296 HydrophobicContact CG1-CG 4.03Å; L248-P296 HydrophobicContact CD2-CB 4.46Å; E249-P296 WeakPolarHBondContact O-CD 3.49Å; P296-I303 HydrophobicContact CB-CD1 3.88Å; P296-I303 HydrophobicContact CB-CG1 4.3Å; P296-Q330 PolarHBondContact O-NE2 3.24Å |
| 297 | L | 94.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 99.4 | 162.1 | -58.2 | -172.8 | 0 | 0 | 0 | 107.7 | L211 F295 M304 A305 V307 Q330 Y333 V334 F337 | L211-L297 HydrophobicContact CD1-CD1 4.21Å; F295-L297 HydrophobicContact CD2-CD2 4.24Å; F295-L297 HydrophobicContact CE2-CD2 3.9Å; L297-M304 WeakPolarHBondContact O-CB 3.38Å; L297-M304 PolarHBondContact O-N 3.21Å; L297-A305 HydrophobicContact CB-CB 4.3Å; L297-A305 HydrophobicContact CD1-CB 4.21Å; L297-A305 PolarHBondContact N-O 2.65Å; L297-A305 PolarHBondContact O-N 2.95Å; L297-V307 HydrophobicContact CD1-CG2 4.01Å; L297-V307 HydrophobicContact CD2-CG2 4.41Å; L297-V307 HydrophobicContact CG-CG2 4.12Å; L297-Q330 HydrophobicContact CD2-CG 4.47Å; L297-Y333 HydrophobicContact CD2-CD2 4.48Å; L297-V334 HydrophobicContact CB-CG2 4.06Å; L297-V334 HydrophobicContact CD2-CG2 4.06Å; L297-F337 HydrophobicContact CD1-CB 4.4Å; L297-F337 HydrophobicContact CD1-CG 4.43Å |
| 298 | A | 91.2 | Very high | 88.4 | Confident | 34 Ų | 34 | 38.8 Ų | 38.8 | 28% | 0.281 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 140.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L248 E302 | L248-A298 HydrophobicContact CD2-CB 4.39Å; A298-E302 CarbonylContact C-O 3.6Å; A298-E302 WeakPolarHBondContact CA-O 3.41Å; A298-E302 WeakPolarHBondContact CB-O 3.39Å |
| 299 | K | 86.6 | Confident | 89.3 | Confident | 111 Ų | 111 | 30 Ų | 30 | 48% | 0.483 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.1 | 175.9 | -173.3 | 174.2 | -177.5 | 175.6 | 0 | 109 | G301 E302 M304 V334 A338 | K299-G301 VanDerWaalsContact C-N 3.26Å; K299-G301 PolarHBondContact O-N 2.89Å; K299-E302 PolarHBondContact N-O 2.9Å; K299-E302 PolarHBondContact O-N 3.5Å; K299-M304 HydrophobicContact CB-SD 3.81Å; K299-V334 HydrophobicContact CB-CG1 4.28Å; K299-A338 HydrophobicContact CD-CB 4.04Å |
| 300 | K | 84.1 | Confident | 89.9 | Confident | 204 Ų | 204 | 29.2 Ų | 29.2 | 89% | 0.887 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 38.7 | -178.1 | -59.7 | -177.2 | 176.2 | -174.1 | 0 | 113.9 | E302 | K300-E302 PolarHBondContact O-N 2.62Š|
| 301 | G | 80.6 | Confident | 90.4 | Very high | 58 Ų | 58 | 27.3 Ų | 27.3 | 60% | 0.598 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -3.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K299 | K299-G301 VanDerWaalsContact C-N 3.26Å; K299-G301 PolarHBondContact O-N 2.89Å |
| 302 | E | 84.6 | Confident | 90.5 | Very high | 103 Ų | 103 | 28.1 Ų | 28.1 | 48% | 0.481 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.4 | 175.3 | -60.3 | -158.9 | 133.9 | 0 | 0 | 111 | R216 A298 K299 K300 | R216-E302 IonicContact CZ-OE1 3.8Å; R216-E302 VanDerWaalsContact CZ-OE1 3.22Å; R216-E302 IonicContact NH1-OE1 3.21Å; R216-E302 PolarHBondContact NH1-OE1 3.36Å; R216-E302 IonicContact NH1-OE2 3.97Å; R216-E302 VanDerWaalsContact NH2-CB 3.31Å; R216-E302 IonicContact NH2-OE1 3.67Å; R216-E302 PolarHBondContact NH2-OE1 3.19Å; R216-E302 IonicContact NH2-OE2 2.98Å; A298-E302 CarbonylContact C-O 3.6Å; A298-E302 WeakPolarHBondContact CA-O 3.41Å; A298-E302 WeakPolarHBondContact CB-O 3.39Å; K299-E302 PolarHBondContact N-O 2.9Å; K299-E302 PolarHBondContact O-N 3.5Å; K300-E302 PolarHBondContact O-N 2.62Å |
| 303 | I | 88.2 | Confident | 90.3 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 7% | 0.072 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 134.7 | 173.5 | -162.5 | 164.8 | 0 | 0 | 0 | 110.7 | F214 L245 L248 P296 V306 | F214-I303 HydrophobicContact CB-CG2 4.48Å; F214-I303 HydrophobicContact CD1-CG2 3.69Å; F214-I303 HydrophobicContact CE1-CG2 4.25Å; F214-I303 HydrophobicContact CG-CG2 4.28Å; L245-I303 HydrophobicContact CD1-CB 4.23Å; L245-I303 HydrophobicContact CD1-CD1 3.85Å; L245-I303 HydrophobicContact CD1-CG2 3.18Å; L248-I303 HydrophobicContact CD2-CB 4.03Å; L248-I303 HydrophobicContact CD2-CD1 4.16Å; L248-I303 HydrophobicContact CD2-CG1 4.44Å; P296-I303 HydrophobicContact CB-CD1 3.88Å; P296-I303 HydrophobicContact CB-CG1 4.3Å; I303-V306 HydrophobicContact CD1-CG2 3.67Å |
| 304 | M | 89.4 | Confident | 89.7 | Confident | 36 Ų | 36 | 35.9 Ų | 35.9 | 18% | 0.177 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | -41.6 | 178.3 | -55.6 | -179 | 61.8 | 0 | 0 | 110.3 | F214 L297 K299 F337 A338 L341 | F214-M304 PolarHBondContact N-O 2.71Å; L297-M304 WeakPolarHBondContact O-CB 3.38Å; L297-M304 PolarHBondContact O-N 3.21Å; K299-M304 HydrophobicContact CB-SD 3.81Å; M304-F337 HydrophobicContact CB-CD1 4.47Å; M304-F337 HydrophobicContact CE-CD1 4.41Å; M304-A338 HydrophobicContact CE-CB 3.74Å; M304-A338 HydrophobicContact SD-CB 3.94Å; M304-L341 HydrophobicContact CE-CB 4.4Å; M304-L341 HydrophobicContact CE-CD1 3.81Å |
| 305 | A | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 167.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L211 Y212 L297 F337 | L211-A305 HydrophobicContact CD2-CB 3.86Å; L211-A305 HydrophobicContact CG-CB 4.29Å; Y212-A305 CarbonylContact O-C 3.59Å; Y212-A305 WeakPolarHBondContact O-CA 3.45Å; Y212-A305 WeakPolarHBondContact O-CB 3.28Å; L297-A305 HydrophobicContact CB-CB 4.3Å; L297-A305 HydrophobicContact CD1-CB 4.21Å; L297-A305 PolarHBondContact N-O 2.65Å; L297-A305 PolarHBondContact O-N 2.95Å; A305-F337 HydrophobicContact CB-CD1 4.34Å; A305-F337 HydrophobicContact CB-CE1 3.79Å; A305-F337 HydrophobicContact CB-CZ 4.23Å |
| 306 | V | 94.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 133.3 | 169.6 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | Y212 F221 L241 V244 A294 I303 | Y212-V306 PolarHBondContact N-O 3.28Å; Y212-V306 PolarHBondContact O-N 3.23Å; F221-V306 HydrophobicContact CE1-CG2 3.81Å; F221-V306 HydrophobicContact CZ-CG2 4.21Å; L241-V306 HydrophobicContact CD2-CB 3.95Å; L241-V306 HydrophobicContact CD2-CG1 3.61Å; V244-V306 HydrophobicContact CB-CG1 4.31Å; V244-V306 HydrophobicContact CB-CG2 4.37Å; V244-V306 HydrophobicContact CG1-CG1 3.98Å; V244-V306 HydrophobicContact CG1-CG2 3.85Å; A294-V306 HydrophobicContact CB-CG1 4.49Å; I303-V306 HydrophobicContact CD1-CG2 3.67Å |
| 307 | V | 94.6 | Very high | 87.6 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 133.6 | 171.1 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | N210 L211 A294 F295 L297 Y333 | N210-V307 WeakPolarHBondContact O-CA 3.41Å; L211-V307 HydrophobicContact CD1-CG2 4.1Å; L211-V307 HydrophobicContact CG-CG2 4.23Å; A294-V307 CarbonylContact C-O 3.47Å; A294-V307 VanDerWaalsContact CA-O 3.23Å; A294-V307 WeakPolarHBondContact CA-O 3.48Å; F295-V307 HydrophobicContact CD1-CB 4.1Å; F295-V307 HydrophobicContact CD1-CG1 4.41Å; F295-V307 HydrophobicContact CD2-CB 4.23Å; F295-V307 HydrophobicContact CE1-CB 3.62Å; F295-V307 HydrophobicContact CE1-CG1 3.57Å; F295-V307 HydrophobicContact CE2-CB 3.78Å; F295-V307 HydrophobicContact CE2-CG1 4.38Å; F295-V307 HydrophobicContact CE2-CG2 3.9Å; F295-V307 HydrophobicContact CG-CB 4.41Å; F295-V307 HydrophobicContact CZ-CB 3.46Å; F295-V307 VanDerWaalsContact CZ-CB 3.46Å; F295-V307 HydrophobicContact CZ-CG1 3.57Å; F295-V307 HydrophobicContact CZ-CG2 3.89Å; F295-V307 PolarHBondContact N-O 2.78Å; F295-V307 PolarHBondContact O-N 3.17Å; L297-V307 HydrophobicContact CD1-CG2 4.01Å; L297-V307 HydrophobicContact CD2-CG2 4.41Å; L297-V307 HydrophobicContact CG-CG2 4.12Å; V307-Y333 HydrophobicContact CG2-CD2 4.38Å |
| 308 | E | 92.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 126.9 | -176.2 | -171.9 | -178.4 | -150.4 | 0 | 0 | 110.2 | C209 N210 Y212 R285 H286 T292 A294 H310 | C209-E308 CarbonylContact C-O 3.29Å; C209-E308 WeakPolarHBondContact CA-O 3.16Å; N210-E308 PolarHBondContact N-O 2.82Å; N210-E308 PolarHBondContact O-N 3.09Å; Y212-E308 HydrophobicContact CE2-CB 4.08Å; Y212-E308 WeakPolarHBondContact CE2-OE2 3.39Å; Y212-E308 PolarHBondContact OH-OE2 2.88Å; R285-E308 IonicContact CZ-OE1 2.66Å; R285-E308 IonicContact CZ-OE2 3.98Å; R285-E308 VanDerWaalsContact CZ-OE2 3.31Å; R285-E308 IonicContact NH1-OE1 2.81Å; R285-E308 PolarHBondContact NH1-OE1 3.37Å; R285-E308 IonicContact NH1-OE2 3.45Å; R285-E308 PolarHBondContact NH1-OE2 3.39Å; R285-E308 IonicContact NH2-OE1 2.89Å; R285-E308 PolarHBondContact NH2-OE1 3.28Å; R285-E308 IonicContact NH2-OE2 3.68Å; R285-E308 PolarHBondContact NH2-OE2 3.46Å; R285-E308 VanDerWaalsContact NH2-OE2 3.09Å; H286-E308 IonicContact CE1-OE1 3.22Å; H286-E308 PolarHBondContact CE1-OE1 3.45Å; H286-E308 IonicContact NE2-OE1 3.3Å; T292-E308 HydrophobicContact CG2-CG 3.76Å; A294-E308 HydrophobicContact CB-CB 4.43Å; A294-E308 HydrophobicContact CB-CG 4.23Å; E308-H310 VanDerWaalsContact CG-CE1 3.47Å; E308-H310 WeakPolarHBondContact CG-CE1 3.5Å; E308-H310 IonicContact OE1-CE1 2.62Å; E308-H310 PolarHBondContact OE1-CE1 2.99Å; E308-H310 VanDerWaalsContact OE1-CE1 3.25Å; E308-H310 IonicContact OE1-NE2 2.64Å; E308-H310 IonicContact OE2-CE1 3.66Å; E308-H310 IonicContact OE2-NE2 3.19Å; E308-H310 PolarHBondContact OE2-NE2 2.79Å |
| 309 | M | 93.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 138.9 | -179.9 | -65.7 | 171.3 | -67.3 | 0 | 0 | 109.9 | A200 I204 C206 E208 C209 T292 L293 F295 F318 V326 | A200-M309 HydrophobicContact CB-SD 4.05Å; I204-M309 HydrophobicContact CB-SD 4.35Å; I204-M309 HydrophobicContact CD1-CE 3.71Å; I204-M309 HydrophobicContact CD1-SD 3.6Å; I204-M309 VanDerWaalsContact CD1-SD 3.6Å; I204-M309 HydrophobicContact CG2-SD 4.35Å; C206-M309 HydrophobicContact CB-CB 4.29Å; E208-M309 CarbonylContact O-C 3.48Å; E208-M309 VanDerWaalsContact O-CA 3.29Å; E208-M309 WeakPolarHBondContact O-CA 3.38Å; C209-M309 HydrophobicContact CB-CG 4.1Å; T292-M309 CarbonylContact C-O 3.58Å; T292-M309 VanDerWaalsContact CA-O 3.25Å; T292-M309 WeakPolarHBondContact CA-O 3.44Å; L293-M309 HydrophobicContact CB-CE 4.01Å; L293-M309 HydrophobicContact CD2-CE 3.7Å; L293-M309 HydrophobicContact CG-CE 3.76Å; L293-M309 PolarHBondContact N-O 3.19Å; L293-M309 PolarHBondContact O-N 2.76Å; F295-M309 HydrophobicContact CD1-CE 3.99Å; F295-M309 HydrophobicContact CE1-CE 3.63Å; M309-F318 HydrophobicContact CB-CE1 4.37Å; M309-F318 HydrophobicContact CB-CZ 4Å; M309-V326 HydrophobicContact CE-CG2 3.71Å |
| 310 | H | 90.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 148.7 | -179.3 | -51.6 | -77.7 | 0 | 0 | 0 | 111.5 | E207 E208 H286 H289 T292 E308 | E207-H310 PolarHBondContact N-O 2.93Å; E208-H310 HydrophobicContact CB-CB 4.25Å; E208-H310 PolarHBondContact N-O 3.39Å; E208-H310 PolarHBondContact O-N 3.25Å; H286-H310 AromaticContact CE1-CE1 3.9Å; H286-H310 AromaticContact ND1-CE1 3.96Å; H289-H310 HydrophobicContact CB-CB 4.19Å; H289-H310 VanDerWaalsContact CD2-CB 3.4Å; H289-H310 WeakPolarHBondContact CD2-CB 3.43Å; H289-H310 AromaticContact CD2-CG 3.52Å; H289-H310 AromaticContact CD2-ND1 3.9Å; H289-H310 AromaticContact CE1-CD2 3.67Å; H289-H310 AromaticContact CE1-CE1 3.77Å; H289-H310 AromaticContact CE1-CG 3.8Å; H289-H310 AromaticContact CE1-ND1 3.88Å; H289-H310 AromaticContact CE1-NE2 3.67Å; H289-H310 AromaticContact CG-CG 3.61Å; H289-H310 AromaticContact CG-ND1 3.48Å; H289-H310 AromaticContact ND1-CE1 3.54Å; H289-H310 AromaticContact ND1-CG 3.81Å; H289-H310 AromaticContact ND1-ND1 3.49Å; H289-H310 PolarHBondContact ND1-ND1 3.15Å; H289-H310 AromaticContact ND1-NE2 3.92Å; H289-H310 AromaticContact NE2-CD2 3.63Å; H289-H310 AromaticContact NE2-CG 3.64Å; T292-H310 PolarHBondContact OG1-ND1 3.46Å; E308-H310 VanDerWaalsContact CG-CE1 3.47Å; E308-H310 WeakPolarHBondContact CG-CE1 3.5Å; E308-H310 IonicContact OE1-CE1 2.62Å; E308-H310 PolarHBondContact OE1-CE1 2.99Å; E308-H310 VanDerWaalsContact OE1-CE1 3.25Å; E308-H310 IonicContact OE1-NE2 2.64Å; E308-H310 IonicContact OE2-CE1 3.66Å; E308-H310 IonicContact OE2-NE2 3.19Å; E308-H310 PolarHBondContact OE2-NE2 2.79Å |
| 311 | N | 89 | Confident | 86.4 | Confident | 7 Ų | 7 | 34.6 Ų | 34.6 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.3 | 81.3 | 170.2 | -59.6 | -11.7 | 0 | 0 | 0 | 113 | E207 H289 F290 N291 S313 | E207-N311 HydrophobicContact CB-CB 4.03Å; E207-N311 VanDerWaalsContact CD-CB 3.44Å; E207-N311 HydrophobicContact CG-CB 3.9Å; E207-N311 PolarHBondContact N-O 3.01Å; E207-N311 WeakPolarHBondContact OE2-CB 3.17Å; E207-N311 PolarHBondContact OE2-ND2 2.97Å; H289-N311 WeakPolarHBondContact CA-OD1 3.4Å; F290-N311 VanDerWaalsContact CD1-OD1 3.24Å; F290-N311 WeakPolarHBondContact CD1-OD1 3.28Å; F290-N311 HydrophobicContact CE1-CB 3.88Å; F290-N311 VanDerWaalsContact CE1-ND2 3.35Å; F290-N311 WeakPolarHBondContact CE1-ND2 3.4Å; F290-N311 WeakPolarHBondContact CE1-OD1 3.39Å; F290-N311 HydrophobicContact CE2-CB 3.84Å; F290-N311 WeakPolarHBondContact CG-OD1 3.35Å; F290-N311 HydrophobicContact CZ-CB 3.48Å; F290-N311 VanDerWaalsContact CZ-CB 3.48Å; F290-N311 VanDerWaalsContact CZ-CG 3.41Å; F290-N311 PolarHBondContact N-OD1 3.15Å; N291-N311 PolarHBondContact O-N 3.12Å; N291-N311 VanDerWaalsContact O-N 3.15Å; N291-N311 WeakPolarHBondContact OD1-CA 3.44Å; N291-N311 PolarHBondContact OD1-N 3.47Å; N311-S313 PolarHBondContact O-N 3.43Å |
| 312 | K | 89.1 | Confident | 86.7 | Confident | 16 Ų | 16 | 32.1 Ų | 32.1 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 128.1 | 168 | -177 | 70.4 | -175.5 | -156.5 | 0 | 110.3 | I204 N291 T314 T315 F318 D322 | I204-K312 HydrophobicContact CG2-CD 4.42Å; I204-K312 VanDerWaalsContact O-CD 3.23Å; I204-K312 WeakPolarHBondContact O-CD 3.36Å; I204-K312 WeakPolarHBondContact O-CE 3.4Å; I204-K312 PolarHBondContact O-NZ 3.16Å; N291-K312 PolarHBondContact OD1-N 2.92Å; K312-T314 WeakPolarHBondContact CE-OG1 3.38Å; K312-T315 VanDerWaalsContact CG-OG1 3.31Å; K312-T315 WeakPolarHBondContact CG-OG1 3.44Å; K312-F318 HydrophobicContact CB-CD1 4.06Å; K312-F318 HydrophobicContact CB-CE1 4.01Å; K312-F318 HydrophobicContact CB-CE2 4.47Å; K312-F318 HydrophobicContact CB-CG 4.32Å; K312-F318 HydrophobicContact CB-CZ 4.21Å; K312-F318 HydrophobicContact CD-CD1 3.92Å; K312-F318 HydrophobicContact CD-CE1 4.06Å; K312-F318 HydrophobicContact CG-CD1 4.38Å; K312-D322 WeakPolarHBondContact CE-OD2 3.37Å; K312-D322 IonicContact NZ-OD1 3.88Å; K312-D322 PolarHBondContact NZ-OD1 2.85Å; K312-D322 IonicContact NZ-OD2 2.76Å; K312-D322 PolarHBondContact NZ-OD2 3.23Å |
| 313 | S | 85.7 | Confident | 86.9 | Confident | 75 Ų | 75 | 27.5 Ų | 27.5 | 52% | 0.524 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -86.5 | -25.2 | -172.5 | -50.8 | 0 | 0 | 0 | 0 | 114 | L205 N311 | L205-S313 WeakPolarHBondContact O-CB 3.31Å; L205-S313 PolarHBondContact O-N 3.35Å; L205-S313 PolarHBondContact O-OG 3Å; N311-S313 PolarHBondContact O-N 3.43Å |
| 314 | T | 80.1 | Confident | 86.9 | Confident | 91 Ų | 91 | 30.3 Ų | 30.3 | 56% | 0.558 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -96 | -30.3 | -175.1 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | L205 K312 | L205-T314 HydrophobicContact CB-CG2 4.27Å; L205-T314 HydrophobicContact CD1-CG2 3.63Å; K312-T314 WeakPolarHBondContact CE-OG1 3.38Å |
| 315 | T | 76.6 | Confident | 86.8 | Confident | 51 Ų | 51 | 29.8 Ų | 29.8 | 31% | 0.313 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -130.5 | 154.3 | -178.3 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | K312 N317 T319 | K312-T315 VanDerWaalsContact CG-OG1 3.31Å; K312-T315 WeakPolarHBondContact CG-OG1 3.44Å; T315-N317 PolarHBondContact O-N 2.81Å; T315-N317 VanDerWaalsContact O-N 3.11Å; T315-N317 PolarHBondContact OG1-O 2.85Å; T315-T319 HydrophobicContact CG2-CG2 4.32Å |
| 316 | P | 77.1 | Confident | 86.8 | Confident | 76 Ų | 76 | 29.8 Ų | 29.8 | 49% | 0.494 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -58.8 | -26.1 | -179.3 | -24.8 | 33.5 | 0 | 0 | 0 | 114.5 | N291 | N291-P316 PolarHBondContact ND2-O 3.14Š|
| 317 | N | 84.6 | Confident | 86.6 | Confident | 28 Ų | 28 | 33.1 Ų | 33.1 | 15% | 0.15 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -139.5 | 159 | -179.6 | -69.3 | -36.7 | 0 | 0 | 0 | 110.2 | S254 R255 T315 | S254-N317 WeakPolarHBondContact CA-OD1 3.39Å; S254-N317 VanDerWaalsContact CB-CG 3.5Å; R255-N317 PolarHBondContact N-OD1 2.92Å; R255-N317 PolarHBondContact O-ND2 2.9Å; T315-N317 PolarHBondContact O-N 2.81Å; T315-N317 VanDerWaalsContact O-N 3.11Å; T315-N317 PolarHBondContact OG1-O 2.85Å |
| 318 | F | 86.7 | Confident | 86.4 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | trans | -65.3 | 133.6 | 169.8 | -67.4 | -81.4 | 0 | 0 | 0 | 110.3 | I204 C206 N291 L293 M309 K312 D322 | I204-F318 HydrophobicContact CG2-CD1 3.8Å; I204-F318 HydrophobicContact CG2-CE1 3.64Å; C206-F318 HydrophobicContact CB-CE1 4.16Å; C206-F318 HydrophobicContact CB-CZ 4.17Å; N291-F318 HydrophobicContact CB-CD2 4.19Å; N291-F318 HydrophobicContact CB-CE2 4.3Å; N291-F318 WeakPolarHBondContact OD1-CE2 3.33Å; L293-F318 HydrophobicContact CB-CB 4.4Å; L293-F318 HydrophobicContact CB-CD1 3.99Å; L293-F318 HydrophobicContact CB-CD2 3.61Å; L293-F318 HydrophobicContact CB-CE1 4.12Å; L293-F318 HydrophobicContact CB-CE2 3.75Å; L293-F318 HydrophobicContact CB-CG 3.74Å; L293-F318 HydrophobicContact CB-CZ 4.02Å; L293-F318 HydrophobicContact CD2-CB 4.21Å; L293-F318 HydrophobicContact CD2-CD1 3.86Å; L293-F318 HydrophobicContact CD2-CE1 4.43Å; L293-F318 HydrophobicContact CD2-CG 4.04Å; L293-F318 HydrophobicContact CG-CG 4.47Å; M309-F318 HydrophobicContact CB-CE1 4.37Å; M309-F318 HydrophobicContact CB-CZ 4Å; K312-F318 HydrophobicContact CB-CD1 4.06Å; K312-F318 HydrophobicContact CB-CE1 4.01Å; K312-F318 HydrophobicContact CB-CE2 4.47Å; K312-F318 HydrophobicContact CB-CG 4.32Å; K312-F318 HydrophobicContact CB-CZ 4.21Å; K312-F318 HydrophobicContact CD-CD1 3.92Å; K312-F318 HydrophobicContact CD-CE1 4.06Å; K312-F318 HydrophobicContact CG-CD1 4.38Å; F318-D322 WeakPolarHBondContact CA-OD2 3.25Å; F318-D322 HydrophobicContact CB-CB 4.35Å; F318-D322 HydrophobicContact CD1-CB 4.3Å | ||
| 319 | T | 82.6 | Confident | 86.4 | Confident | 18 Ų | 18 | 37.3 Ų | 37.3 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | trans | -87.3 | 164.1 | -174.5 | 70.7 | 0 | 0 | 0 | 0 | 111.6 | T315 N321 D322 V323 | T315-T319 HydrophobicContact CG2-CG2 4.32Å; T319-N321 PolarHBondContact O-N 2.82Å; T319-N321 PolarHBondContact OG1-N 2.88Å; T319-D322 PolarHBondContact N-OD2 2.97Å; T319-D322 WeakPolarHBondContact O-CB 3.47Å; T319-D322 PolarHBondContact O-N 3.09Å; T319-D322 VanDerWaalsContact O-N 3.08Å; T319-D322 PolarHBondContact OG1-N 3.02Å; T319-D322 VanDerWaalsContact OG1-N 3.13Å; T319-D322 PolarHBondContact OG1-OD2 2.93Å; T319-V323 PolarHBondContact O-N 3.15Å | ||
| 320 | P | 80.4 | Confident | 86.3 | Confident | 95 Ų | 95 | 39.2 Ų | 39.2 | 62% | 0.617 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -56.6 | -29.8 | 169.1 | -25.9 | 35.7 | 0 | 0 | 0 | 113.3 | V323 N324 | P320-V323 PolarHBondContact O-N 3.3Å; P320-N324 PolarHBondContact O-N 3.27Å; P320-N324 PolarHBondContact O-ND2 3.12Å |
| 321 | N | 81.6 | Confident | 86.4 | Confident | 50 Ų | 50 | 42.9 Ų | 42.9 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.9 | -40.8 | 175 | -169.9 | 29.5 | 0 | 0 | 0 | 111.5 | D48 T319 V323 N324 I325 | D48-N321 WeakPolarHBondContact OD1-CB 3.47Å; D48-N321 PolarHBondContact OD1-ND2 3.48Å; T319-N321 PolarHBondContact O-N 2.82Å; T319-N321 PolarHBondContact OG1-N 2.88Å; N321-V323 VanDerWaalsContact C-N 3.26Å; N321-V323 PolarHBondContact O-N 3.3Å; N321-N324 WeakPolarHBondContact O-CA 3.44Å; N321-N324 WeakPolarHBondContact O-CB 3.47Å; N321-N324 PolarHBondContact O-N 2.93Å; N321-I325 WeakPolarHBondContact O-CG1 3.4Å; N321-I325 PolarHBondContact O-N 3.45Å |
| 322 | D | 87.7 | Confident | 86.6 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.032 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.9 | -42.6 | 174.1 | -63.1 | -36.9 | 0 | 0 | 0 | 111.5 | I204 L293 K312 F318 T319 N324 I325 V326 | I204-D322 HydrophobicContact CG2-CB 4.17Å; L293-D322 HydrophobicContact CD2-CB 4.32Å; K312-D322 WeakPolarHBondContact CE-OD2 3.37Å; K312-D322 IonicContact NZ-OD1 3.88Å; K312-D322 PolarHBondContact NZ-OD1 2.85Å; K312-D322 IonicContact NZ-OD2 2.76Å; K312-D322 PolarHBondContact NZ-OD2 3.23Å; F318-D322 WeakPolarHBondContact CA-OD2 3.25Å; F318-D322 HydrophobicContact CB-CB 4.35Å; F318-D322 HydrophobicContact CD1-CB 4.3Å; T319-D322 PolarHBondContact N-OD2 2.97Å; T319-D322 WeakPolarHBondContact O-CB 3.47Å; T319-D322 PolarHBondContact O-N 3.09Å; T319-D322 VanDerWaalsContact O-N 3.08Å; T319-D322 PolarHBondContact OG1-N 3.02Å; T319-D322 VanDerWaalsContact OG1-N 3.13Å; T319-D322 PolarHBondContact OG1-OD2 2.93Å; D322-N324 VanDerWaalsContact C-N 3.33Å; D322-N324 PolarHBondContact O-N 2.95Å; D322-I325 PolarHBondContact O-N 2.88Å; D322-V326 WeakPolarHBondContact O-CG2 3.47Å; D322-V326 PolarHBondContact O-N 3.15Å |
| 323 | V | 88.8 | Confident | 86.9 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 175.7 | 177 | 0 | 0 | 0 | 0 | 111.4 | I250 V271 L293 T319 P320 N321 V326 R327 | I250-V323 HydrophobicContact CD1-CG1 4.24Å; I250-V323 HydrophobicContact CG2-CG1 4.29Å; V271-V323 HydrophobicContact CG1-CG1 4.35Å; V271-V323 HydrophobicContact CG2-CG1 3.45Å; V271-V323 VanDerWaalsContact CG2-CG1 3.45Å; L293-V323 HydrophobicContact CD1-CG2 4.05Å; T319-V323 PolarHBondContact O-N 3.15Å; P320-V323 PolarHBondContact O-N 3.3Å; N321-V323 VanDerWaalsContact C-N 3.26Å; N321-V323 PolarHBondContact O-N 3.3Å; V323-V326 PolarHBondContact O-N 3.02Å; V323-R327 WeakPolarHBondContact O-CG 3.38Å; V323-R327 PolarHBondContact O-N 3.36Å |
| 324 | N | 86.7 | Confident | 87.2 | Confident | 74 Ų | 74 | 42.6 Ų | 42.6 | 40% | 0.396 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 174.4 | -73.5 | -23.8 | 0 | 0 | 0 | 112.2 | P320 N321 D322 V326 R327 M328 | P320-N324 PolarHBondContact O-N 3.27Å; P320-N324 PolarHBondContact O-ND2 3.12Å; N321-N324 WeakPolarHBondContact O-CA 3.44Å; N321-N324 WeakPolarHBondContact O-CB 3.47Å; N321-N324 PolarHBondContact O-N 2.93Å; D322-N324 VanDerWaalsContact C-N 3.33Å; D322-N324 PolarHBondContact O-N 2.95Å; N324-V326 VanDerWaalsContact C-N 3.32Å; N324-V326 PolarHBondContact O-N 3.11Å; N324-R327 WeakPolarHBondContact O-CB 3.22Å; N324-R327 PolarHBondContact O-N 3.15Å; N324-R327 PolarHBondContact OD1-NH1 3.43Å; N324-M328 WeakPolarHBondContact O-CG 3.43Å; N324-M328 PolarHBondContact O-N 3.37Å |
| 325 | I | 88.6 | Confident | 87.8 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.2 | -45.7 | 174.3 | -67.9 | 167.9 | 0 | 0 | 0 | 109.9 | F171 L203 I204 N321 D322 R327 M328 L329 | F171-I325 HydrophobicContact CE2-CG2 4.35Å; L203-I325 HydrophobicContact CB-CG2 4.19Å; I204-I325 HydrophobicContact CD1-CG2 4.34Å; I204-I325 HydrophobicContact CG1-CG2 4.01Å; N321-I325 WeakPolarHBondContact O-CG1 3.4Å; N321-I325 PolarHBondContact O-N 3.45Å; D322-I325 PolarHBondContact O-N 2.88Å; I325-R327 VanDerWaalsContact C-N 3.34Å; I325-R327 PolarHBondContact O-N 2.91Å; I325-M328 HydrophobicContact CG1-CE 4.23Å; I325-M328 PolarHBondContact O-N 3.1Å; I325-M328 VanDerWaalsContact O-N 3.15Å; I325-L329 HydrophobicContact CG2-CD1 3.67Å; I325-L329 HydrophobicContact CG2-CG 4.22Å; I325-L329 WeakPolarHBondContact O-CB 3.42Å; I325-L329 VanDerWaalsContact O-CG 3.23Å; I325-L329 WeakPolarHBondContact O-CG 3.47Å; I325-L329 PolarHBondContact O-N 3.04Å |
| 326 | V | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.1 | -45.2 | 174.4 | 169.8 | 0 | 0 | 0 | 0 | 112 | I204 I250 L293 F295 M309 D322 V323 N324 M328 L329 Q330 | I204-V326 HydrophobicContact CD1-CG2 3.41Å; I204-V326 VanDerWaalsContact CD1-CG2 3.41Å; I250-V326 HydrophobicContact CD1-CB 4.43Å; I250-V326 HydrophobicContact CD1-CG1 3.85Å; I250-V326 HydrophobicContact CG1-CG1 4.27Å; L293-V326 HydrophobicContact CD2-CG2 3.77Å; L293-V326 HydrophobicContact CG-CG2 4.43Å; F295-V326 HydrophobicContact CB-CG1 3.73Å; F295-V326 HydrophobicContact CD1-CB 4.42Å; F295-V326 HydrophobicContact CD1-CG1 3.34Å; F295-V326 HydrophobicContact CD1-CG2 4.13Å; F295-V326 HydrophobicContact CD2-CG1 3.88Å; F295-V326 HydrophobicContact CE1-CG1 3.78Å; F295-V326 HydrophobicContact CE1-CG2 4.08Å; F295-V326 HydrophobicContact CE2-CG1 4.25Å; F295-V326 HydrophobicContact CG-CG1 3.38Å; F295-V326 HydrophobicContact CZ-CG1 4.2Å; M309-V326 HydrophobicContact CE-CG2 3.71Å; D322-V326 WeakPolarHBondContact O-CG2 3.47Å; D322-V326 PolarHBondContact O-N 3.15Å; V323-V326 PolarHBondContact O-N 3.02Å; N324-V326 VanDerWaalsContact C-N 3.32Å; N324-V326 PolarHBondContact O-N 3.11Å; V326-M328 VanDerWaalsContact C-N 3.28Å; V326-M328 PolarHBondContact O-N 3.06Å; V326-L329 PolarHBondContact O-N 3.26Å; V326-L329 VanDerWaalsContact O-N 3.09Å; V326-Q330 PolarHBondContact O-N 3.01Å |
| 327 | R | 90.6 | Very high | 89.1 | Confident | 71 Ų | 71 | 36 Ų | 36 | 27% | 0.268 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60 | -39.8 | 177.1 | -73.2 | -173.8 | -172.6 | 118 | -5 | 112.2 | I250 K269 V323 N324 I325 L329 P331 | I250-R327 HydrophobicContact CD1-CG 3.44Å; I250-R327 VanDerWaalsContact CD1-CG 3.44Å; K269-R327 PolarHBondContact O-NE 3.45Å; K269-R327 PolarHBondContact O-NH2 2.92Å; V323-R327 WeakPolarHBondContact O-CG 3.38Å; V323-R327 PolarHBondContact O-N 3.36Å; N324-R327 WeakPolarHBondContact O-CB 3.22Å; N324-R327 PolarHBondContact O-N 3.15Å; N324-R327 PolarHBondContact OD1-NH1 3.43Å; I325-R327 VanDerWaalsContact C-N 3.34Å; I325-R327 PolarHBondContact O-N 2.91Å; R327-L329 VanDerWaalsContact C-N 3.34Å; R327-P331 WeakPolarHBondContact O-CD 3.3Å |
| 328 | M | 89.9 | Confident | 89.3 | Confident | 87 Ų | 87 | 35.1 Ų | 35.1 | 43% | 0.429 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.4 | -33.2 | 175.9 | -67.3 | -172 | -68 | 0 | 0 | 112 | F171 N324 I325 V326 F332 | F171-M328 HydrophobicContact CE1-CB 4.16Å; F171-M328 HydrophobicContact CE2-CB 4.43Å; F171-M328 HydrophobicContact CZ-CB 3.7Å; N324-M328 WeakPolarHBondContact O-CG 3.43Å; N324-M328 PolarHBondContact O-N 3.37Å; I325-M328 HydrophobicContact CG1-CE 4.23Å; I325-M328 PolarHBondContact O-N 3.1Å; I325-M328 VanDerWaalsContact O-N 3.15Å; V326-M328 VanDerWaalsContact C-N 3.28Å; V326-M328 PolarHBondContact O-N 3.06Å; M328-F332 WeakPolarHBondContact O-CD2 3.27Å; M328-F332 WeakPolarHBondContact O-CE2 3.3Å |
| 329 | L | 91.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.6 | -38.7 | -180 | -73.8 | 168.7 | 0 | 0 | 0 | 114 | F171 M175 L203 I204 I325 V326 R327 P331 F332 Y333 | F171-L329 HydrophobicContact CE2-CD2 3.86Å; F171-L329 HydrophobicContact CE2-CG 4.04Å; F171-L329 HydrophobicContact CZ-CD2 4.02Å; F171-L329 HydrophobicContact CZ-CG 4.23Å; M175-L329 HydrophobicContact CE-CD2 3.19Å; M175-L329 HydrophobicContact SD-CD2 3.51Å; M175-L329 VanDerWaalsContact SD-CD2 3.51Å; L203-L329 HydrophobicContact CD1-CD1 3.91Å; L203-L329 HydrophobicContact CD1-CD2 3.49Å; L203-L329 VanDerWaalsContact CD1-CD2 3.49Å; L203-L329 HydrophobicContact CD1-CG 4.18Å; I204-L329 HydrophobicContact CD1-CD1 4.35Å; I325-L329 HydrophobicContact CG2-CD1 3.67Å; I325-L329 HydrophobicContact CG2-CG 4.22Å; I325-L329 WeakPolarHBondContact O-CB 3.42Å; I325-L329 VanDerWaalsContact O-CG 3.23Å; I325-L329 WeakPolarHBondContact O-CG 3.47Å; I325-L329 PolarHBondContact O-N 3.04Å; V326-L329 PolarHBondContact O-N 3.26Å; V326-L329 VanDerWaalsContact O-N 3.09Å; R327-L329 VanDerWaalsContact C-N 3.34Å; L329-P331 VanDerWaalsContact C-CD 3.48Å; L329-F332 WeakPolarHBondContact O-CB 3.26Å; L329-F332 PolarHBondContact O-N 3.44Å; L329-Y333 HydrophobicContact CB-CD1 4.36Å; L329-Y333 HydrophobicContact CB-CE1 4.19Å; L329-Y333 HydrophobicContact CD2-CE1 3.93Å; L329-Y333 WeakPolarHBondContact O-CD1 3.27Å; L329-Y333 PolarHBondContact O-N 3.13Å; L329-Y333 VanDerWaalsContact O-N 3.16Å |
| 330 | Q | 92.4 | Very high | 89.6 | Confident | 41 Ų | 41 | 38.3 Ų | 38.3 | 19% | 0.192 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -47.2 | -49.3 | -171.9 | -118.9 | 177.3 | -31.2 | 0 | 0 | 114.3 | F295 P296 L297 V326 F332 Y333 V334 | F295-Q330 HydrophobicContact CD2-CG 3.61Å; F295-Q330 HydrophobicContact CE2-CG 4.02Å; P296-Q330 PolarHBondContact O-NE2 3.24Å; L297-Q330 HydrophobicContact CD2-CG 4.47Å; V326-Q330 PolarHBondContact O-N 3.01Å; Q330-F332 VanDerWaalsContact C-N 3.3Å; Q330-F332 PolarHBondContact O-N 2.87Å; Q330-Y333 PolarHBondContact O-N 3.42Å; Q330-V334 WeakPolarHBondContact O-CG2 3.33Å; Q330-V334 PolarHBondContact O-N 3.46Å |
| 331 | P | 91.7 | Very high | 89.8 | Confident | 76 Ų | 76 | 36.6 Ų | 36.6 | 49% | 0.494 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.2 | -37.1 | -178.6 | -24.1 | 34.6 | 0 | 0 | 0 | 113.4 | R327 L329 T335 | R327-P331 WeakPolarHBondContact O-CD 3.3Å; L329-P331 VanDerWaalsContact C-CD 3.48Å; P331-T335 WeakPolarHBondContact O-CB 3.46Å; P331-T335 PolarHBondContact O-N 2.89Å; P331-T335 PolarHBondContact O-OG1 3.45Å |
| 332 | F | 93.4 | Very high | 90 | Very high | 69 Ų | 69 | 42.5 Ų | 42.5 | 30% | 0.303 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.5 | -41.3 | 178 | -58.3 | -69 | 0 | 0 | 0 | 111 | F171 M175 L178 F179 M328 L329 Q330 T335 C336 | F171-F332 HydrophobicContact CE1-CE2 4.37Å; M175-F332 HydrophobicContact CG-CD2 4.1Å; M175-F332 HydrophobicContact CG-CE2 4.01Å; M175-F332 HydrophobicContact CG-CZ 4.39Å; M175-F332 HydrophobicContact SD-CB 4.28Å; M175-F332 HydrophobicContact SD-CD2 3.61Å; M175-F332 HydrophobicContact SD-CE2 4.12Å; M175-F332 HydrophobicContact SD-CG 3.99Å; L178-F332 HydrophobicContact CD2-CB 4.37Å; F179-F332 HydrophobicContact CE2-CB 4.45Å; F179-F332 AromaticContact CE2-CD1 3.35Å; F179-F332 HydrophobicContact CE2-CD1 3.35Å; F179-F332 AromaticContact CE2-CE1 3.93Å; F179-F332 HydrophobicContact CE2-CE1 3.93Å; F179-F332 HydrophobicContact CE2-CG 4.28Å; F179-F332 HydrophobicContact CZ-CB 4.27Å; F179-F332 AromaticContact CZ-CD1 3.55Å; F179-F332 HydrophobicContact CZ-CD1 3.55Å; F179-F332 HydrophobicContact CZ-CE1 4.39Å; F179-F332 HydrophobicContact CZ-CG 4.39Å; M328-F332 WeakPolarHBondContact O-CD2 3.27Å; M328-F332 WeakPolarHBondContact O-CE2 3.3Å; L329-F332 WeakPolarHBondContact O-CB 3.26Å; L329-F332 PolarHBondContact O-N 3.44Å; Q330-F332 VanDerWaalsContact C-N 3.3Å; Q330-F332 PolarHBondContact O-N 2.87Å; F332-T335 PolarHBondContact O-N 2.93Å; F332-C336 PolarHBondContact O-N 3.41Å; F332-C336 PolarHBondContact O-SG 3Å |
| 333 | Y | 95 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.9 | -46.4 | 178.9 | -80.1 | 39.5 | 0 | 0 | 0 | 110.8 | L178 L196 A200 F295 L297 V307 L329 Q330 T335 C336 F337 | L178-Y333 HydrophobicContact CD2-CD1 3.95Å; L178-Y333 HydrophobicContact CD2-CE1 3.63Å; L196-Y333 HydrophobicContact CB-CD2 3.98Å; L196-Y333 HydrophobicContact CB-CE2 3.7Å; L196-Y333 HydrophobicContact CD1-CD2 4.07Å; L196-Y333 HydrophobicContact CD1-CG 4.33Å; L196-Y333 HydrophobicContact CD2-CD1 3.71Å; L196-Y333 HydrophobicContact CD2-CD2 3.86Å; L196-Y333 HydrophobicContact CD2-CE1 3.89Å; L196-Y333 HydrophobicContact CD2-CE2 4.06Å; L196-Y333 HydrophobicContact CD2-CG 3.69Å; L196-Y333 HydrophobicContact CG-CD2 4.18Å; L196-Y333 HydrophobicContact CG-CE2 4.32Å; L196-Y333 HydrophobicContact CG-CG 4.44Å; L196-Y333 PolarHBondContact O-OH 3.11Å; A200-Y333 WeakPolarHBondContact CB-OH 3.14Å; A200-Y333 PolarHBondContact N-OH 3.28Å; A200-Y333 VanDerWaalsContact N-OH 3.09Å; F295-Y333 HydrophobicContact CE2-CD2 4.34Å; F295-Y333 HydrophobicContact CZ-CD2 4.3Å; F295-Y333 HydrophobicContact CZ-CE2 4.33Å; L297-Y333 HydrophobicContact CD2-CD2 4.48Å; V307-Y333 HydrophobicContact CG2-CD2 4.38Å; L329-Y333 HydrophobicContact CB-CD1 4.36Å; L329-Y333 HydrophobicContact CB-CE1 4.19Å; L329-Y333 HydrophobicContact CD2-CE1 3.93Å; L329-Y333 WeakPolarHBondContact O-CD1 3.27Å; L329-Y333 PolarHBondContact O-N 3.13Å; L329-Y333 VanDerWaalsContact O-N 3.16Å; Q330-Y333 PolarHBondContact O-N 3.42Å; Y333-T335 VanDerWaalsContact C-N 3.25Å; Y333-T335 PolarHBondContact O-N 3.15Å; Y333-C336 PolarHBondContact O-N 2.99Å; Y333-F337 VanDerWaalsContact O-CB 3.23Å; Y333-F337 WeakPolarHBondContact O-CB 3.26Å; Y333-F337 PolarHBondContact O-N 3.28Å |
| 334 | V | 93.4 | Very high | 89.2 | Confident | 24 Ų | 24 | 48 Ų | 48 | 15% | 0.145 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.1 | -42.4 | 174.9 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | L297 K299 Q330 A338 | L297-V334 HydrophobicContact CB-CG2 4.06Å; L297-V334 HydrophobicContact CD2-CG2 4.06Å; K299-V334 HydrophobicContact CB-CG1 4.28Å; Q330-V334 WeakPolarHBondContact O-CG2 3.33Å; Q330-V334 PolarHBondContact O-N 3.46Å; V334-A338 WeakPolarHBondContact O-CB 3.23Å; V334-A338 PolarHBondContact O-N 3.46Å |
| 335 | T | 90.9 | Very high | 88.9 | Confident | 75 Ų | 75 | 47.7 Ų | 47.7 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65 | -51 | -179.7 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | F179 P331 F332 Y333 H339 | F179-T335 HydrophobicContact CE1-CG2 4.32Å; P331-T335 WeakPolarHBondContact O-CB 3.46Å; P331-T335 PolarHBondContact O-N 2.89Å; P331-T335 PolarHBondContact O-OG1 3.45Å; F332-T335 PolarHBondContact O-N 2.93Å; Y333-T335 VanDerWaalsContact C-N 3.25Å; Y333-T335 PolarHBondContact O-N 3.15Å; T335-H339 WeakPolarHBondContact O-CB 3.43Å; T335-H339 PolarHBondContact O-N 3.47Å; T335-H339 VanDerWaalsContact O-N 3.12Å |
| 336 | C | 91.4 | Very high | 88.2 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 178.9 | -64.9 | 0 | 0 | 0 | 0 | 111.3 | F179 A182 V192 L196 F332 Y333 H339 S340 | F179-C336 WeakPolarHBondContact CD1-SG 3.06Å; F179-C336 WeakPolarHBondContact CE1-SG 3.37Å; A182-C336 HydrophobicContact CB-CB 4.25Å; V192-C336 HydrophobicContact CG1-CB 4.49Å; L196-C336 HydrophobicContact CD2-CB 4.39Å; F332-C336 PolarHBondContact O-N 3.41Å; F332-C336 PolarHBondContact O-SG 3Å; Y333-C336 PolarHBondContact O-N 2.99Å; C336-H339 PolarHBondContact O-N 2.83Å; C336-S340 PolarHBondContact O-N 3.34Å |
| 337 | F | 90 | Very high | 87.2 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.3 | -41.4 | -174.8 | -157.5 | -105.6 | 0 | 0 | 0 | 112.1 | L189 V192 L196 L211 L213 L297 M304 A305 Y333 H339 S340 L341 | L189-F337 HydrophobicContact CD2-CD2 4.21Å; L189-F337 HydrophobicContact CD2-CE2 3.78Å; L189-F337 HydrophobicContact CD2-CZ 3.95Å; V192-F337 HydrophobicContact CG1-CD2 4.33Å; L196-F337 HydrophobicContact CD1-CB 4.41Å; L196-F337 HydrophobicContact CD1-CD2 4.09Å; L211-F337 HydrophobicContact CD1-CD2 4.21Å; L211-F337 HydrophobicContact CD1-CE2 3.98Å; L211-F337 HydrophobicContact CD2-CE1 4.49Å; L211-F337 HydrophobicContact CD2-CE2 3.71Å; L211-F337 HydrophobicContact CD2-CZ 3.62Å; L213-F337 HydrophobicContact CD1-CE1 3.91Å; L213-F337 HydrophobicContact CD1-CZ 3.85Å; L297-F337 HydrophobicContact CD1-CB 4.4Å; L297-F337 HydrophobicContact CD1-CG 4.43Å; M304-F337 HydrophobicContact CB-CD1 4.47Å; M304-F337 HydrophobicContact CE-CD1 4.41Å; A305-F337 HydrophobicContact CB-CD1 4.34Å; A305-F337 HydrophobicContact CB-CE1 3.79Å; A305-F337 HydrophobicContact CB-CZ 4.23Å; Y333-F337 VanDerWaalsContact O-CB 3.23Å; Y333-F337 WeakPolarHBondContact O-CB 3.26Å; Y333-F337 PolarHBondContact O-N 3.28Å; F337-H339 VanDerWaalsContact C-N 3.34Å; F337-H339 PolarHBondContact O-N 3.29Å; F337-S340 PolarHBondContact O-N 3.16Å; F337-L341 HydrophobicContact CD1-CD1 3.55Å; F337-L341 HydrophobicContact CE1-CD1 3.33Å; F337-L341 HydrophobicContact CG-CD1 4.43Å; F337-L341 HydrophobicContact CZ-CD1 4.07Å; F337-L341 PolarHBondContact O-N 3.49Å |
| 338 | A | 89.3 | Confident | 86.2 | Confident | 11 Ų | 11 | 56 Ų | 56 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.4 | -35 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K299 M304 V334 R342 | K299-A338 HydrophobicContact CD-CB 4.04Å; M304-A338 HydrophobicContact CE-CB 3.74Å; M304-A338 HydrophobicContact SD-CB 3.94Å; V334-A338 WeakPolarHBondContact O-CB 3.23Å; V334-A338 PolarHBondContact O-N 3.46Å; A338-R342 PolarHBondContact O-N 3.35Å |
| 339 | H | 89 | Confident | 85.1 | Confident | 90 Ų | 90 | 56 Ų | 56 | 42% | 0.417 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.9 | -43.8 | 175.1 | -166.3 | 80.8 | 0 | 0 | 0 | 111.2 | F183 T335 C336 F337 R342 L343 | F183-H339 HydrophobicContact CE1-CB 4.07Å; F183-H339 AromaticContact CE1-CD2 3.85Å; T335-H339 WeakPolarHBondContact O-CB 3.43Å; T335-H339 PolarHBondContact O-N 3.47Å; T335-H339 VanDerWaalsContact O-N 3.12Å; C336-H339 PolarHBondContact O-N 2.83Å; F337-H339 VanDerWaalsContact C-N 3.34Å; F337-H339 PolarHBondContact O-N 3.29Å; H339-R342 PolarHBondContact O-N 3.47Å; H339-L343 PolarHBondContact O-N 3.16Å |
| 340 | S | 87 | Confident | 83.7 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 177.3 | -176.5 | 0 | 0 | 0 | 0 | 112.7 | A186 L189 C336 F337 R342 L343 K344 | A186-S340 WeakPolarHBondContact O-CA 3.27Å; A186-S340 WeakPolarHBondContact O-CB 3.42Å; A186-S340 PolarHBondContact O-OG 2.99Å; L189-S340 WeakPolarHBondContact CD2-OG 3.23Å; C336-S340 PolarHBondContact O-N 3.34Å; F337-S340 PolarHBondContact O-N 3.16Å; S340-R342 VanDerWaalsContact C-N 3.28Å; S340-R342 PolarHBondContact O-N 3.13Å; S340-L343 PolarHBondContact O-N 2.88Å; S340-K344 PolarHBondContact O-N 3.38Å |
| 341 | L | 84.5 | Confident | 82.3 | Confident | 59 Ų | 59 | 66.3 Ų | 66.3 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57 | -41.1 | 174.6 | -109 | 118.7 | 0 | 0 | 0 | 112.4 | L189 L213 M304 F337 C345 | L189-L341 HydrophobicContact CD1-CG 4.3Å; L189-L341 HydrophobicContact CD2-CD1 3.95Å; L189-L341 HydrophobicContact CD2-CG 4.2Å; L213-L341 HydrophobicContact CD1-CD1 4.03Å; M304-L341 HydrophobicContact CE-CB 4.4Å; M304-L341 HydrophobicContact CE-CD1 3.81Å; F337-L341 HydrophobicContact CD1-CD1 3.55Å; F337-L341 HydrophobicContact CE1-CD1 3.33Å; F337-L341 HydrophobicContact CG-CD1 4.43Å; F337-L341 HydrophobicContact CZ-CD1 4.07Å; F337-L341 PolarHBondContact O-N 3.49Å; L341-C345 WeakPolarHBondContact O-CB 3.4Å; L341-C345 PolarHBondContact O-N 3.03Å |
| 342 | R | 85.2 | Confident | 80.9 | Confident | 175 Ų | 175 | 70.6 Ų | 70.6 | 66% | 0.66 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.5 | -43.3 | 178.2 | -175 | 173.5 | 176.4 | 88.8 | -2 | 111.8 | A338 H339 S340 C345 L346 | A338-R342 PolarHBondContact O-N 3.35Å; H339-R342 PolarHBondContact O-N 3.47Å; S340-R342 VanDerWaalsContact C-N 3.28Å; S340-R342 PolarHBondContact O-N 3.13Å; R342-C345 PolarHBondContact O-N 3.28Å; R342-L346 HydrophobicContact CG-CD1 4.33Å; R342-L346 WeakPolarHBondContact O-CG 3.19Å; R342-L346 PolarHBondContact O-N 2.84Å |
| 343 | L | 82 | Confident | 79 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 29% | 0.288 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 177 | -76.1 | 173.6 | 0 | 0 | 0 | 111.9 | A186 H339 S340 C345 L346 K347 | A186-L343 HydrophobicContact CB-CD1 3.52Å; H339-L343 PolarHBondContact O-N 3.16Å; S340-L343 PolarHBondContact O-N 2.88Å; L343-C345 PolarHBondContact O-N 2.99Å; L343-L346 PolarHBondContact O-N 3.16Å; L343-K347 PolarHBondContact O-N 3.22Å |
| 344 | K | 78.7 | Confident | 77.1 | Confident | 71 Ų | 71 | 72.9 Ų | 72.9 | 31% | 0.309 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 175 | -177.9 | 179.1 | 175.3 | -175.9 | 0 | 111.5 | L189 S340 L346 K347 E348 | L189-K344 HydrophobicContact CD1-CD 3.41Å; L189-K344 VanDerWaalsContact CD1-CD 3.41Å; L189-K344 HydrophobicContact CG-CD 4.22Å; S340-K344 PolarHBondContact O-N 3.38Å; K344-L346 PolarHBondContact O-N 2.98Å; K344-K347 PolarHBondContact O-N 3.22Å; K344-E348 WeakPolarHBondContact CE-OE1 3.41Å; K344-E348 PolarHBondContact O-N 2.96Å |
| 345 | C | 78.5 | Confident | 75.1 | Confident | 68 Ų | 68 | 74.9 Ų | 74.9 | 46% | 0.459 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 176.9 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | L341 R342 L343 K347 E348 I349 | L341-C345 WeakPolarHBondContact O-CB 3.4Å; L341-C345 PolarHBondContact O-N 3.03Å; R342-C345 PolarHBondContact O-N 3.28Å; L343-C345 PolarHBondContact O-N 2.99Å; C345-K347 PolarHBondContact O-N 2.56Å; C345-E348 PolarHBondContact O-N 3.46Å; C345-I349 VanDerWaalsContact O-CG1 3.31Å; C345-I349 WeakPolarHBondContact O-CG1 3.32Å; C345-I349 PolarHBondContact O-N 3.28Å |
| 346 | L | 74.2 | Confident | 73.1 | Confident | 78 Ų | 78 | 72.7 Ų | 72.7 | 41% | 0.408 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.4 | -72.6 | 170.7 | 0 | 0 | 0 | 112.6 | R342 L343 K344 I349 N350 | R342-L346 HydrophobicContact CG-CD1 4.33Å; R342-L346 WeakPolarHBondContact O-CG 3.19Å; R342-L346 PolarHBondContact O-N 2.84Å; L343-L346 PolarHBondContact O-N 3.16Å; K344-L346 PolarHBondContact O-N 2.98Å; L346-I349 PolarHBondContact O-N 2.89Å; L346-N350 WeakPolarHBondContact O-CB 3.26Å; L346-N350 PolarHBondContact O-N 3.35Å |
| 347 | K | 71.4 | Confident | 71 | Confident | 107 Ų | 107 | 73.7 Ų | 73.7 | 47% | 0.465 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 175.6 | -79.1 | -164.4 | 177.3 | -164.2 | 0 | 112.4 | D187 L343 K344 C345 N350 K351 | D187-K347 HydrophobicContact CB-CD 3.99Å; D187-K347 VanDerWaalsContact CG-NZ 3.34Å; D187-K347 IonicContact OD2-NZ 3.59Å; D187-K347 PolarHBondContact OD2-NZ 3.28Å; L343-K347 PolarHBondContact O-N 3.22Å; K344-K347 PolarHBondContact O-N 3.22Å; C345-K347 PolarHBondContact O-N 2.56Å; K347-N350 PolarHBondContact O-N 3.4Å; K347-K351 VanDerWaalsContact O-CB 3.23Å; K347-K351 WeakPolarHBondContact O-CB 3.35Å; K347-K351 PolarHBondContact O-N 3.48Å |
| 348 | E | 69.5 | Low | 69 | Low | 86 Ų | 86 | 80.4 Ų | 80.4 | 40% | 0.402 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 176.5 | -78 | -178.2 | -171.9 | 0 | 0 | 111.5 | K344 C345 K351 R352 | K344-E348 WeakPolarHBondContact CE-OE1 3.41Å; K344-E348 PolarHBondContact O-N 2.96Å; C345-E348 PolarHBondContact O-N 3.46Å; E348-K351 PolarHBondContact O-N 3.43Å; E348-R352 WeakPolarHBondContact O-CB 3.21Å; E348-R352 VanDerWaalsContact O-CG 3.26Å; E348-R352 WeakPolarHBondContact O-CG 3.34Å; E348-R352 PolarHBondContact O-N 3.24Å |
| 349 | I | 66.6 | Low | 67.1 | Low | 85 Ų | 85 | 90.1 Ų | 90.1 | 44% | 0.436 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.5 | -51.5 | 173.5 | -68 | 166.2 | 0 | 0 | 0 | 110.1 | C345 L346 K351 R352 L353 | C345-I349 VanDerWaalsContact O-CG1 3.31Å; C345-I349 WeakPolarHBondContact O-CG1 3.32Å; C345-I349 PolarHBondContact O-N 3.28Å; L346-I349 PolarHBondContact O-N 2.89Å; I349-K351 VanDerWaalsContact C-N 3.32Å; I349-K351 PolarHBondContact O-N 3.37Å; I349-R352 PolarHBondContact O-N 2.96Å; I349-L353 PolarHBondContact O-N 3.45Å |
| 350 | N | 64.3 | Low | 65.2 | Low | 103 Ų | 103 | 87.6 Ų | 87.6 | 55% | 0.551 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61.2 | -39.7 | 179.4 | -78.7 | -13.8 | 0 | 0 | 0 | 112.5 | L346 K347 L353 A354 | L346-N350 WeakPolarHBondContact O-CB 3.26Å; L346-N350 PolarHBondContact O-N 3.35Å; K347-N350 PolarHBondContact O-N 3.4Å; N350-L353 PolarHBondContact O-N 2.85Å; N350-A354 WeakPolarHBondContact O-CB 3.4Å; N350-A354 PolarHBondContact O-N 3.22Å |
| 351 | K | 62.4 | Low | 63.6 | Low | 156 Ų | 156 | 88.6 Ų | 88.6 | 68% | 0.678 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66.2 | -43.7 | 176.9 | -170.9 | 177.5 | -177.4 | 179.5 | 0 | 110.8 | K347 E348 I349 L353 T355 | K347-K351 VanDerWaalsContact O-CB 3.23Å; K347-K351 WeakPolarHBondContact O-CB 3.35Å; K347-K351 PolarHBondContact O-N 3.48Å; E348-K351 PolarHBondContact O-N 3.43Å; I349-K351 VanDerWaalsContact C-N 3.32Å; I349-K351 PolarHBondContact O-N 3.37Å; K351-L353 VanDerWaalsContact C-N 3.32Å; K351-T355 WeakPolarHBondContact O-CB 3.45Å; K351-T355 PolarHBondContact O-N 2.87Å; K351-T355 PolarHBondContact O-OG1 3.41Å |
| 352 | R | 61.4 | Low | 62.1 | Low | 167 Ų | 167 | 88.3 Ų | 88.3 | 63% | 0.63 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 174.4 | -74.3 | 175.9 | -171.1 | -176.1 | 6.3 | 111 | E348 I349 S356 | E348-R352 WeakPolarHBondContact O-CB 3.21Å; E348-R352 VanDerWaalsContact O-CG 3.26Å; E348-R352 WeakPolarHBondContact O-CG 3.34Å; E348-R352 PolarHBondContact O-N 3.24Å; I349-R352 PolarHBondContact O-N 2.96Å; R352-S356 VanDerWaalsContact O-CB 3.23Å; R352-S356 WeakPolarHBondContact O-CB 3.49Å; R352-S356 PolarHBondContact O-N 2.88Å; R352-S356 PolarHBondContact O-OG 3.37Å |
| 353 | L | 54.7 | Low | 60.6 | Low | 64 Ų | 64 | 81 Ų | 81 | 34% | 0.335 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.7 | -62 | 174.6 | -127.7 | 94.8 | 0 | 0 | 0 | 109.7 | I349 N350 K351 T355 S356 T357 | I349-L353 PolarHBondContact O-N 3.45Å; N350-L353 PolarHBondContact O-N 2.85Å; K351-L353 VanDerWaalsContact C-N 3.32Å; L353-T355 VanDerWaalsContact C-N 3.29Å; L353-T355 PolarHBondContact O-N 2.8Å; L353-T355 VanDerWaalsContact O-N 3.17Å; L353-S356 CarbonylContact O-C 3.52Å; L353-S356 WeakPolarHBondContact O-CA 3.33Å; L353-S356 WeakPolarHBondContact O-CB 3.26Å; L353-S356 PolarHBondContact O-N 2.87Å; L353-T357 PolarHBondContact O-N 3.34Å; L353-T357 PolarHBondContact O-OG1 3.43Å |
| 354 | A | 53.6 | Low | 59.3 | Low | 53 Ų | 53 | 81.6 Ų | 81.6 | 44% | 0.438 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -54.5 | -41.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | N350 S356 N358 | N350-A354 WeakPolarHBondContact O-CB 3.4Å; N350-A354 PolarHBondContact O-N 3.22Å; A354-S356 VanDerWaalsContact C-N 3.33Å; A354-S356 PolarHBondContact O-N 3.5Å; A354-N358 WeakPolarHBondContact O-CB 3.36Å; A354-N358 PolarHBondContact O-N 3.45Å |
| 355 | T | 51.6 | Low | 58.6 | Low | 65 Ų | 65 | 85.6 Ų | 85.6 | 40% | 0.399 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.6 | -35 | 178.3 | -42.2 | 0 | 0 | 0 | 0 | 111.6 | K351 L353 R359 | K351-T355 WeakPolarHBondContact O-CB 3.45Å; K351-T355 PolarHBondContact O-N 2.87Å; K351-T355 PolarHBondContact O-OG1 3.41Å; L353-T355 VanDerWaalsContact C-N 3.29Å; L353-T355 PolarHBondContact O-N 2.8Å; L353-T355 VanDerWaalsContact O-N 3.17Å; T355-R359 WeakPolarHBondContact O-CG 3.44Å; T355-R359 PolarHBondContact O-N 3.08Å |
| 356 | S | 49.2 | Very low | 58.4 | Low | 29 Ų | 29 | 90.3 Ų | 90.3 | 20% | 0.203 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -77 | -40.1 | 177.7 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | R352 L353 A354 R359 L360 L506 | R352-S356 VanDerWaalsContact O-CB 3.23Å; R352-S356 WeakPolarHBondContact O-CB 3.49Å; R352-S356 PolarHBondContact O-N 2.88Å; R352-S356 PolarHBondContact O-OG 3.37Å; L353-S356 CarbonylContact O-C 3.52Å; L353-S356 WeakPolarHBondContact O-CA 3.33Å; L353-S356 WeakPolarHBondContact O-CB 3.26Å; L353-S356 PolarHBondContact O-N 2.87Å; A354-S356 VanDerWaalsContact C-N 3.33Å; A354-S356 PolarHBondContact O-N 3.5Å; S356-R359 CarbonylContact O-C 3.56Å; S356-R359 PolarHBondContact O-N 3.13Å; S356-R359 VanDerWaalsContact O-N 3.13Å; S356-L360 VanDerWaalsContact O-CB 3.23Å; S356-L360 WeakPolarHBondContact O-CB 3.46Å; S356-L360 WeakPolarHBondContact O-CG 3.41Å; S356-L360 PolarHBondContact O-N 3.17Å; S356-L506 WeakPolarHBondContact OG-CD2 3.42Å |
| 357 | T | 47.7 | Very low | 58.9 | Low | 23 Ų | 23 | 88 Ų | 88 | 14% | 0.141 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.3 | -48.4 | 174.3 | -42.3 | 0 | 0 | 0 | 0 | 110.3 | L353 R359 L360 A361 T520 A524 | L353-T357 PolarHBondContact O-N 3.34Å; L353-T357 PolarHBondContact O-OG1 3.43Å; T357-R359 PolarHBondContact O-N 2.97Å; T357-L360 PolarHBondContact O-N 3.1Å; T357-A361 WeakPolarHBondContact O-CA 3.38Å; T357-A361 WeakPolarHBondContact O-CB 3.43Å; T357-A361 PolarHBondContact O-N 3.22Å; T357-T520 HydrophobicContact CG2-CG2 3.66Å; T357-A524 HydrophobicContact CG2-CB 4.2Å |
| 358 | N | 48.7 | Very low | 59.7 | Low | 143 Ų | 143 | 89.2 Ų | 89.2 | 77% | 0.765 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.3 | -24.5 | 176.7 | -82.6 | -2.9 | 0 | 0 | 0 | 114 | A354 | A354-N358 WeakPolarHBondContact O-CB 3.36Å; A354-N358 PolarHBondContact O-N 3.45Å |
| 359 | R | 47.9 | Very low | 60.6 | Low | 215 Ų | 215 | 89.7 Ų | 89.7 | 81% | 0.811 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -92.8 | -20.9 | 178.7 | -73.8 | -178.6 | 176.7 | -174 | -0.3 | 113.8 | T355 S356 T357 | T355-R359 WeakPolarHBondContact O-CG 3.44Å; T355-R359 PolarHBondContact O-N 3.08Å; S356-R359 CarbonylContact O-C 3.56Å; S356-R359 PolarHBondContact O-N 3.13Å; S356-R359 VanDerWaalsContact O-N 3.13Å; T357-R359 PolarHBondContact O-N 2.97Å |
| 360 | L | 50.3 | Low | 61.8 | Low | 37 Ų | 37 | 93 Ų | 93 | 19% | 0.194 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -107.3 | -18.1 | -176.9 | -70.8 | 164.9 | 0 | 0 | 0 | 112.8 | S356 T357 I362 L503 L506 | S356-L360 VanDerWaalsContact O-CB 3.23Å; S356-L360 WeakPolarHBondContact O-CB 3.46Å; S356-L360 WeakPolarHBondContact O-CG 3.41Å; S356-L360 PolarHBondContact O-N 3.17Å; T357-L360 PolarHBondContact O-N 3.1Å; L360-I362 PolarHBondContact O-N 3.29Å; L360-L503 HydrophobicContact CD1-CD2 4.12Å; L360-L506 HydrophobicContact CD1-CD1 3.48Å; L360-L506 VanDerWaalsContact CD1-CD1 3.48Å |
| 361 | A | 52.2 | Low | 63 | Low | 22 Ų | 22 | 92.3 Ų | 92.3 | 18% | 0.182 | 47% | 0.467 | C | S | . | . | trans | -72.1 | 115.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T357 T363 Q521 | T357-A361 WeakPolarHBondContact O-CA 3.38Å; T357-A361 WeakPolarHBondContact O-CB 3.43Å; T357-A361 PolarHBondContact O-N 3.22Å; A361-T363 WeakPolarHBondContact CB-OG1 3.44Å; A361-T363 PolarHBondContact O-N 3.42Å; A361-Q521 VanDerWaalsContact CA-OE1 3.3Å | ||
| 362 | I | 54.7 | Low | 64.4 | Low | 52 Ų | 52 | 84.9 Ų | 84.9 | 27% | 0.267 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -59.3 | -24.2 | 163.4 | -64.2 | 177.4 | 0 | 0 | 0 | 109.9 | L360 G364 R438 D487 | L360-I362 PolarHBondContact O-N 3.29Å; I362-G364 PolarHBondContact O-N 3.46Å; I362-R438 HydrophobicContact CD1-CG 4.09Å; I362-D487 HydrophobicContact CD1-CB 4.17Å; I362-D487 WeakPolarHBondContact CD1-OD1 3.49Å |
| 363 | T | 53.6 | Low | 65.8 | Low | 21 Ų | 21 | 79.9 Ų | 79.9 | 13% | 0.129 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -70.9 | 11.3 | -171.4 | 72.2 | 0 | 0 | 0 | 0 | 115.3 | A361 A436 V525 | A361-T363 WeakPolarHBondContact CB-OG1 3.44Å; A361-T363 PolarHBondContact O-N 3.42Å; T363-A436 HydrophobicContact CG2-CB 4.04Å; T363-V525 HydrophobicContact CG2-CG2 3.61Å |
| 364 | G | 54 | Low | 67.6 | Low | 69 Ų | 69 | 79.2 Ų | 79.2 | 71% | 0.711 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -78.2 | -16.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I362 E366 | I362-G364 PolarHBondContact O-N 3.46Å; G364-E366 PolarHBondContact O-N 3.22Å |
| 365 | E | 64 | Low | 69.4 | Low | 155 Ų | 155 | 76.9 Ų | 76.9 | 72% | 0.724 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -74 | 124 | 174.4 | -68.2 | -174.8 | 170 | 0 | 0 | 110.1 | ||
| 366 | E | 74.1 | Confident | 71.3 | Confident | 167 Ų | 167 | 74.5 Ų | 74.5 | 78% | 0.78 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 135.8 | 174.6 | -72.2 | -169.7 | 166.4 | 0 | 0 | 109.7 | G364 E368 | G364-E366 PolarHBondContact O-N 3.22Å; E366-E368 PolarHBondContact O-N 3.46Å |
| 367 | I | 85.6 | Confident | 73.2 | Confident | 28 Ų | 28 | 79.2 Ų | 79.2 | 14% | 0.144 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 118.8 | 171.8 | -61.3 | -56.9 | 0 | 0 | 0 | 108 | E369 D371 A372 L431 K432 E435 | I367-E369 PolarHBondContact O-N 3.01Å; I367-D371 HydrophobicContact CG2-CB 4.43Å; I367-A372 HydrophobicContact CG2-CB 4.21Å; I367-L431 HydrophobicContact CD1-CB 3.87Å; I367-L431 HydrophobicContact CG1-CB 4.02Å; I367-L431 HydrophobicContact CG2-CB 4Å; I367-L431 HydrophobicContact CG2-CD1 3.63Å; I367-L431 HydrophobicContact CG2-CG 4.41Å; I367-K432 HydrophobicContact CD1-CG 3.99Å; I367-K432 HydrophobicContact CG1-CB 4.49Å; I367-K432 HydrophobicContact CG1-CG 3.46Å; I367-K432 VanDerWaalsContact CG1-CG 3.46Å; I367-E435 HydrophobicContact CD1-CG 4.16Å |
| 368 | E | 87.4 | Confident | 74.9 | Confident | 134 Ų | 134 | 78.9 Ų | 78.9 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -48.7 | 133.6 | 175.6 | -70.5 | -63.5 | 155.7 | 0 | 0 | 111.1 | E366 Q370 D371 A372 | E366-E368 PolarHBondContact O-N 3.46Å; E368-Q370 PolarHBondContact O-N 3.14Å; E368-Q370 VanDerWaalsContact O-N 3.13Å; E368-D371 PolarHBondContact O-N 2.99Å; E368-D371 VanDerWaalsContact O-N 3.07Å; E368-A372 PolarHBondContact O-N 3.48Å |
| 369 | E | 89.3 | Confident | 76.5 | Confident | 95 Ų | 95 | 76.4 Ų | 76.4 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -54.8 | -37.2 | -177.2 | -176.1 | 85.6 | -161 | 0 | 0 | 110.9 | I367 L373 K424 R428 | I367-E369 PolarHBondContact O-N 3.01Å; E369-L373 HydrophobicContact CG-CD1 4Å; E369-L373 WeakPolarHBondContact O-CB 3.2Å; E369-L373 WeakPolarHBondContact O-CG 3.38Å; E369-L373 PolarHBondContact O-N 2.94Å; E369-K424 WeakPolarHBondContact OE1-CE 3.5Å; E369-K424 IonicContact OE1-NZ 3.88Å; E369-K424 PolarHBondContact OE1-NZ 3.49Å; E369-K424 IonicContact OE2-NZ 2.76Å; E369-R428 IonicContact OE1-NH2 3.87Å; E369-R428 IonicContact OE2-CZ 3.83Å; E369-R428 IonicContact OE2-NH2 3.73Å; E369-R428 PolarHBondContact OE2-NH2 3.42Å |
| 370 | Q | 90.6 | Very high | 78 | Confident | 156 Ų | 156 | 68 Ų | 68 | 73% | 0.729 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 179 | -176.2 | 174.3 | -3.5 | 0 | 0 | 112.8 | E368 L373 A374 | E368-Q370 PolarHBondContact O-N 3.14Å; E368-Q370 VanDerWaalsContact O-N 3.13Å; Q370-L373 PolarHBondContact O-N 2.97Å; Q370-A374 VanDerWaalsContact O-CB 3.31Å; Q370-A374 WeakPolarHBondContact O-CB 3.46Å; Q370-A374 PolarHBondContact O-N 3.2Å |
| 371 | D | 90.7 | Very high | 79.3 | Confident | 88 Ų | 88 | 72.7 Ų | 72.7 | 47% | 0.471 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69 | -42.3 | -179.7 | -69.8 | -30.5 | 0 | 0 | 0 | 111.1 | I367 E368 L373 A374 L375 L431 | I367-D371 HydrophobicContact CG2-CB 4.43Å; E368-D371 PolarHBondContact O-N 2.99Å; E368-D371 VanDerWaalsContact O-N 3.07Å; D371-L373 VanDerWaalsContact C-N 3.32Å; D371-L373 PolarHBondContact O-N 3.37Å; D371-A374 PolarHBondContact O-N 3.4Å; D371-L375 PolarHBondContact O-N 3.06Å; D371-L375 VanDerWaalsContact O-N 3.11Å; D371-L431 HydrophobicContact CB-CD1 4.28Å |
| 372 | A | 91.5 | Very high | 80.8 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I367 E368 C376 R428 | I367-A372 HydrophobicContact CG2-CB 4.21Å; E368-A372 PolarHBondContact O-N 3.48Å; A372-C376 WeakPolarHBondContact O-CB 3.28Å; A372-C376 PolarHBondContact O-N 2.89Å; A372-R428 HydrophobicContact CB-CG 3.73Å |
| 373 | L | 91.7 | Very high | 82.4 | Confident | 61 Ų | 61 | 76.5 Ų | 76.5 | 32% | 0.319 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.6 | -40.7 | 177.4 | -73.2 | 173.4 | 0 | 0 | 0 | 112.5 | E369 Q370 D371 L375 C376 L377 | E369-L373 HydrophobicContact CG-CD1 4Å; E369-L373 WeakPolarHBondContact O-CB 3.2Å; E369-L373 WeakPolarHBondContact O-CG 3.38Å; E369-L373 PolarHBondContact O-N 2.94Å; Q370-L373 PolarHBondContact O-N 2.97Å; D371-L373 VanDerWaalsContact C-N 3.32Å; D371-L373 PolarHBondContact O-N 3.37Å; L373-L375 VanDerWaalsContact C-N 3.28Å; L373-L375 PolarHBondContact O-N 3.33Å; L373-C376 PolarHBondContact O-N 2.88Å; L373-L377 HydrophobicContact CB-CD1 4.24Å; L373-L377 HydrophobicContact CD2-CD1 4.22Å; L373-L377 HydrophobicContact CD2-CG 4.41Å; L373-L377 VanDerWaalsContact O-CB 3.28Å; L373-L377 WeakPolarHBondContact O-CB 3.36Å; L373-L377 WeakPolarHBondContact O-CG 3.23Å; L373-L377 PolarHBondContact O-N 2.84Å |
| 374 | A | 91.1 | Very high | 84.1 | Confident | 50 Ų | 50 | 80.7 Ų | 80.7 | 41% | 0.413 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q370 D371 | Q370-A374 VanDerWaalsContact O-CB 3.31Å; Q370-A374 WeakPolarHBondContact O-CB 3.46Å; Q370-A374 PolarHBondContact O-N 3.2Å; D371-A374 PolarHBondContact O-N 3.4Å |
| 375 | L | 92.8 | Very high | 85.9 | Confident | 5 Ų | 5 | 88.4 Ų | 88.4 | 3% | 0.026 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -77.5 | -43.7 | 174.2 | -175.8 | 59.4 | 0 | 0 | 0 | 111.6 | D371 L373 L403 K404 M407 A427 L431 | D371-L375 PolarHBondContact O-N 3.06Å; D371-L375 VanDerWaalsContact O-N 3.11Å; L373-L375 VanDerWaalsContact C-N 3.28Å; L373-L375 PolarHBondContact O-N 3.33Å; L375-L403 HydrophobicContact CD1-CB 3.89Å; L375-L403 HydrophobicContact CD2-CB 3.93Å; L375-L403 HydrophobicContact CD2-CD1 4.45Å; L375-K404 HydrophobicContact CD1-CG 3.94Å; L375-M407 HydrophobicContact CD1-CG 4.48Å; L375-M407 HydrophobicContact CD1-SD 3.9Å; L375-M407 HydrophobicContact CD2-SD 4.3Å; L375-M407 HydrophobicContact CG-CG 4.45Å; L375-M407 HydrophobicContact CG-SD 3.61Å; L375-A427 HydrophobicContact CB-CB 4.23Å; L375-A427 HydrophobicContact CD2-CB 4.06Å; L375-A427 HydrophobicContact CG-CB 4.12Å; L375-L431 HydrophobicContact CD2-CD1 4.16Å; L375-L431 HydrophobicContact CD2-CD2 4.37Å; L375-L431 HydrophobicContact CD2-CG 3.96Å |
| 376 | C | 91.3 | Very high | 87.2 | Confident | 14 Ų | 14 | 86.4 Ų | 86.4 | 10% | 0.095 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66.3 | -41.8 | -177.5 | 179.7 | 0 | 0 | 0 | 0 | 113.5 | A372 L373 R423 A427 | A372-C376 WeakPolarHBondContact O-CB 3.28Å; A372-C376 PolarHBondContact O-N 2.89Å; L373-C376 PolarHBondContact O-N 2.88Å; C376-R423 PolarHBondContact O-NE 2.92Å; C376-R423 PolarHBondContact O-NH2 3.19Å; C376-A427 HydrophobicContact CB-CB 4Å |
| 377 | L | 88.9 | Confident | 88 | Confident | 129 Ų | 129 | 79 Ų | 79 | 68% | 0.675 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -83.9 | -24.2 | -173.5 | -65.1 | 174.9 | 0 | 0 | 0 | 113.2 | L373 | L373-L377 HydrophobicContact CB-CD1 4.24Å; L373-L377 HydrophobicContact CD2-CD1 4.22Å; L373-L377 HydrophobicContact CD2-CG 4.41Å; L373-L377 VanDerWaalsContact O-CB 3.28Å; L373-L377 WeakPolarHBondContact O-CB 3.36Å; L373-L377 WeakPolarHBondContact O-CG 3.23Å; L373-L377 PolarHBondContact O-N 2.84Å |
| 378 | G | 81.9 | Confident | 88.5 | Confident | 16 Ų | 16 | 79.5 Ų | 79.5 | 17% | 0.165 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -63.6 | 139.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I380 R423 | G378-I380 PolarHBondContact O-N 3.46Å; G378-R423 PolarHBondContact O-NH2 3.06Å |
| 379 | P | 82.7 | Confident | 88.9 | Confident | 91 Ų | 91 | 74.7 Ų | 74.7 | 59% | 0.591 | 38% | 0.378 | S | S | * | . | trans | -57 | 136.8 | -173.5 | 23.9 | -34.3 | 0 | 0 | 0 | 112.3 | Q381 | P379-Q381 PolarHBondContact O-N 3.5Å; P379-Q381 VanDerWaalsContact O-N 3.1Å | ||
| 380 | I | 79.6 | Confident | 89.2 | Confident | 38 Ų | 38 | 70.7 Ų | 70.7 | 20% | 0.195 | 36% | 0.359 | C | S | . | . | trans | -75.2 | 100.6 | 169.3 | -52.2 | -173.2 | 0 | 0 | 0 | 106.5 | G378 A408 Y411 M416 R423 | G378-I380 PolarHBondContact O-N 3.46Å; I380-A408 HydrophobicContact CG2-CB 3.84Å; I380-Y411 HydrophobicContact CD1-CD2 3.86Å; I380-Y411 HydrophobicContact CD1-CG 3.95Å; I380-Y411 HydrophobicContact CG2-CD1 3.94Å; I380-Y411 HydrophobicContact CG2-CG 3.93Å; I380-M416 HydrophobicContact CD1-SD 4.23Å; I380-R423 VanDerWaalsContact CG1-NH2 3.35Å | ||
| 381 | Q | 77.4 | Confident | 89.5 | Confident | 136 Ų | 136 | 66.2 Ų | 66.2 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 146.9 | 175.7 | -68.3 | -178.6 | -12.8 | 0 | 0 | 109.9 | P379 I383 | P379-Q381 PolarHBondContact O-N 3.5Å; P379-Q381 VanDerWaalsContact O-N 3.1Å; Q381-I383 PolarHBondContact O-N 2.63Å |
| 382 | N | 84.2 | Confident | 89.7 | Confident | 134 Ų | 134 | 64.6 Ų | 64.6 | 72% | 0.717 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 136.9 | 169.7 | -70.8 | -29.2 | 0 | 0 | 0 | 109.3 | E384 | N382-E384 PolarHBondContact O-N 3.4Š|
| 383 | I | 89 | Confident | 89.9 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 122.9 | 177.6 | -62.6 | 172.3 | 0 | 0 | 0 | 108.3 | Q381 I387 I388 A408 M409 F456 | Q381-I383 PolarHBondContact O-N 2.63Å; I383-I387 HydrophobicContact CG2-CB 3.76Å; I383-I387 HydrophobicContact CG2-CD1 4.39Å; I383-I387 HydrophobicContact CG2-CG2 3.79Å; I383-I388 HydrophobicContact CG2-CD1 4.35Å; I383-I388 HydrophobicContact CG2-CG1 3.83Å; I383-A408 HydrophobicContact CD1-CB 3.93Å; I383-A408 HydrophobicContact CG1-CB 3.62Å; I383-M409 HydrophobicContact CD1-CG 3.94Å; I383-F456 HydrophobicContact CD1-CE1 3.69Å; I383-F456 HydrophobicContact CD1-CE2 4.08Å; I383-F456 HydrophobicContact CD1-CZ 3.39Å; I383-F456 HydrophobicContact CG2-CE1 4.46Å |
| 384 | E | 89 | Confident | 90 | Very high | 109 Ų | 109 | 63.4 Ų | 63.4 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 139.6 | -179.5 | -62.6 | -179.2 | 134.7 | 0 | 0 | 110.6 | N382 F386 I387 | N382-E384 PolarHBondContact O-N 3.4Å; E384-F386 HydrophobicContact CB-CD1 3.81Å; E384-F386 HydrophobicContact CB-CE1 3.47Å; E384-F386 VanDerWaalsContact CB-CE1 3.47Å; E384-F386 HydrophobicContact CB-CZ 4.03Å; E384-F386 HydrophobicContact CG-CE1 4.1Å; E384-F386 PolarHBondContact O-N 2.94Å; E384-F386 WeakPolarHBondContact OE2-CE1 3.41Å; E384-F386 WeakPolarHBondContact OE2-CZ 3.35Å; E384-I387 HydrophobicContact CB-CD1 4.25Å; E384-I387 HydrophobicContact CB-CG1 4.38Å; E384-I387 WeakPolarHBondContact O-CB 3.4Å; E384-I387 PolarHBondContact O-N 3.26Å |
| 385 | R | 90.4 | Very high | 89.9 | Confident | 231 Ų | 231 | 62.5 Ų | 62.5 | 87% | 0.872 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -35.5 | -172.7 | -82 | -172.6 | 178.5 | -175.1 | 0.2 | 113.7 | I387 I388 | R385-I387 VanDerWaalsContact C-N 3.25Å; R385-I387 PolarHBondContact O-N 3.42Å; R385-I388 PolarHBondContact O-N 2.96Å; R385-I388 VanDerWaalsContact O-N 3.07Å |
| 386 | F | 91.4 | Very high | 89.5 | Confident | 112 Ų | 112 | 65.8 Ų | 65.8 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -22.1 | -179 | 68.5 | -99.3 | 0 | 0 | 0 | 113.1 | E384 I388 Y392 | E384-F386 HydrophobicContact CB-CD1 3.81Å; E384-F386 HydrophobicContact CB-CE1 3.47Å; E384-F386 VanDerWaalsContact CB-CE1 3.47Å; E384-F386 HydrophobicContact CB-CZ 4.03Å; E384-F386 HydrophobicContact CG-CE1 4.1Å; E384-F386 PolarHBondContact O-N 2.94Å; E384-F386 WeakPolarHBondContact OE2-CE1 3.41Å; E384-F386 WeakPolarHBondContact OE2-CZ 3.35Å; F386-I388 VanDerWaalsContact C-N 3.3Å; F386-Y392 AromaticContact CD2-CD2 3.94Å; F386-Y392 HydrophobicContact CD2-CD2 3.94Å; F386-Y392 AromaticContact CD2-CE2 3.54Å; F386-Y392 HydrophobicContact CD2-CE2 3.54Å; F386-Y392 HydrophobicContact CE2-CD2 4.44Å; F386-Y392 AromaticContact CE2-CE2 3.6Å; F386-Y392 HydrophobicContact CE2-CE2 3.6Å; F386-Y392 WeakPolarHBondContact O-CD2 3.25Å |
| 387 | I | 92.4 | Very high | 89.6 | Confident | 13 Ų | 13 | 66 Ų | 66 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -29.8 | 171.9 | -58.9 | 176.6 | 0 | 0 | 0 | 109.4 | I383 E384 R385 S389 Y392 M397 T405 H453 | I383-I387 HydrophobicContact CG2-CB 3.76Å; I383-I387 HydrophobicContact CG2-CD1 4.39Å; I383-I387 HydrophobicContact CG2-CG2 3.79Å; E384-I387 HydrophobicContact CB-CD1 4.25Å; E384-I387 HydrophobicContact CB-CG1 4.38Å; E384-I387 WeakPolarHBondContact O-CB 3.4Å; E384-I387 PolarHBondContact O-N 3.26Å; R385-I387 VanDerWaalsContact C-N 3.25Å; R385-I387 PolarHBondContact O-N 3.42Å; I387-S389 PolarHBondContact O-N 3.44Å; I387-Y392 HydrophobicContact CG1-CE1 4.28Å; I387-Y392 HydrophobicContact CG1-CE2 4.38Å; I387-Y392 HydrophobicContact CG2-CD1 4.31Å; I387-Y392 HydrophobicContact CG2-CE1 4.28Å; I387-M397 HydrophobicContact CD1-CE 4.33Å; I387-T405 HydrophobicContact CG2-CG2 4.28Å; I387-H453 PolarHBondContact O-CE1 3.32Å; I387-H453 PolarHBondContact O-NE2 3.36Å |
| 388 | I | 95.2 | Very high | 89.9 | Confident | 37 Ų | 37 | 63.3 Ų | 63.3 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -80.9 | 57.3 | 177.4 | -42.1 | 179.9 | 0 | 0 | 0 | 110.4 | I383 R385 F386 F456 K460 Q461 | I383-I388 HydrophobicContact CG2-CD1 4.35Å; I383-I388 HydrophobicContact CG2-CG1 3.83Å; R385-I388 PolarHBondContact O-N 2.96Å; R385-I388 VanDerWaalsContact O-N 3.07Å; F386-I388 VanDerWaalsContact C-N 3.3Å; I388-F456 HydrophobicContact CG1-CE1 4.33Å; I388-K460 HydrophobicContact CG2-CB 3.87Å; I388-K460 HydrophobicContact CG2-CG 4.19Å; I388-Q461 PolarHBondContact O-NE2 3.39Å |
| 389 | S | 95.8 | Very high | 90.5 | Very high | 33 Ų | 33 | 65.8 Ų | 65.8 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -138.3 | 137.1 | -179.9 | 175.3 | 0 | 0 | 0 | 0 | 111 | I387 T391 Y392 | I387-S389 PolarHBondContact O-N 3.44Å; S389-T391 PolarHBondContact O-N 3.47Å; S389-T391 PolarHBondContact OG-N 3.44Å; S389-T391 PolarHBondContact OG-OG1 3.32Å; S389-Y392 WeakPolarHBondContact O-CB 3.29Å; S389-Y392 PolarHBondContact O-N 3.23Å |
| 390 | F | 96.5 | Very high | 91 | Very high | 11 Ų | 11 | 66.1 Ų | 66.1 | 5% | 0.048 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -28.8 | 175.4 | -69.4 | -59.2 | 0 | 0 | 0 | 112.7 | F454 V457 M458 Q461 K602 M669 V672 | F390-F454 HydrophobicContact CB-CE2 4.1Å; F390-F454 HydrophobicContact CD1-CD2 4.06Å; F390-F454 HydrophobicContact CD1-CE1 4.07Å; F390-F454 AromaticContact CD1-CE2 3.53Å; F390-F454 HydrophobicContact CD1-CE2 3.53Å; F390-F454 AromaticContact CD1-CZ 3.53Å; F390-F454 HydrophobicContact CD1-CZ 3.53Å; F390-F454 HydrophobicContact CE1-CE1 4.17Å; F390-F454 HydrophobicContact CE1-CE2 4.41Å; F390-F454 HydrophobicContact CE1-CZ 4.06Å; F390-F454 HydrophobicContact CG-CE2 4.25Å; F390-F454 HydrophobicContact CG-CZ 4.35Å; F390-V457 HydrophobicContact CD1-CB 4.15Å; F390-V457 HydrophobicContact CD1-CG1 3.6Å; F390-V457 HydrophobicContact CD2-CG1 4.31Å; F390-V457 HydrophobicContact CE1-CB 4.01Å; F390-V457 HydrophobicContact CE1-CG1 3.54Å; F390-V457 HydrophobicContact CE2-CG1 4.26Å; F390-V457 HydrophobicContact CG-CG1 4Å; F390-V457 HydrophobicContact CZ-CG1 3.89Å; F390-M458 HydrophobicContact CE1-CB 4.41Å; F390-M458 HydrophobicContact CE1-CG 3.6Å; F390-M458 HydrophobicContact CZ-CG 4.12Å; F390-Q461 HydrophobicContact CE2-CB 4.26Å; F390-Q461 HydrophobicContact CZ-CB 4.29Å; F390-K602 WeakPolarHBondContact O-CG 3.32Å; F390-M669 HydrophobicContact CE1-CE 4.46Å; F390-M669 HydrophobicContact CE1-SD 3.96Å; F390-M669 HydrophobicContact CE2-SD 4.06Å; F390-M669 HydrophobicContact CZ-SD 3.59Å; F390-M669 VanDerWaalsContact CZ-SD 3.59Å; F390-V672 HydrophobicContact CB-CG2 3.79Å; F390-V672 HydrophobicContact CD1-CG2 4.28Å; F390-V672 HydrophobicContact CD2-CG2 3.54Å; F390-V672 HydrophobicContact CE2-CG2 4.15Å; F390-V672 HydrophobicContact CG-CG2 3.61Å |
| 391 | T | 95.3 | Very high | 91.6 | Very high | 62 Ų | 62 | 70.4 Ų | 70.4 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -5.6 | -179.4 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | S389 S393 | S389-T391 PolarHBondContact O-N 3.47Å; S389-T391 PolarHBondContact OG-N 3.44Å; S389-T391 PolarHBondContact OG-OG1 3.32Å; T391-S393 PolarHBondContact O-N 3Å |
| 392 | Y | 96 | Very high | 92.5 | Very high | 54 Ų | 54 | 64 Ų | 64 | 21% | 0.212 | 32% | 0.323 | C | S | . | . | trans | -66.1 | 129.6 | -179.8 | -173.8 | -101 | 0 | 0 | 0 | 111 | F386 I387 S389 V394 M397 K602 | F386-Y392 AromaticContact CD2-CD2 3.94Å; F386-Y392 HydrophobicContact CD2-CD2 3.94Å; F386-Y392 AromaticContact CD2-CE2 3.54Å; F386-Y392 HydrophobicContact CD2-CE2 3.54Å; F386-Y392 HydrophobicContact CE2-CD2 4.44Å; F386-Y392 AromaticContact CE2-CE2 3.6Å; F386-Y392 HydrophobicContact CE2-CE2 3.6Å; F386-Y392 WeakPolarHBondContact O-CD2 3.25Å; I387-Y392 HydrophobicContact CG1-CE1 4.28Å; I387-Y392 HydrophobicContact CG1-CE2 4.38Å; I387-Y392 HydrophobicContact CG2-CD1 4.31Å; I387-Y392 HydrophobicContact CG2-CE1 4.28Å; S389-Y392 WeakPolarHBondContact O-CB 3.29Å; S389-Y392 PolarHBondContact O-N 3.23Å; Y392-V394 HydrophobicContact CD1-CG1 4.17Å; Y392-V394 HydrophobicContact CE1-CG1 4.28Å; Y392-M397 HydrophobicContact CE1-CE 3.94Å; Y392-M397 WeakPolarHBondContact OH-CE 3.46Å; Y392-K602 PolarHBondContact O-NZ 3.45Å | ||
| 393 | S | 95 | Very high | 93.1 | Very high | 36 Ų | 36 | 58 Ų | 58 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | trans | -94.7 | 117 | 175.8 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | T391 H395 T606 | T391-S393 PolarHBondContact O-N 3Å; S393-H395 VanDerWaalsContact C-N 3.29Å; S393-T606 WeakPolarHBondContact CB-OG1 3.48Å | ||
| 394 | V | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -76.7 | -21.7 | 173.3 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | Y392 G396 M397 F449 H453 | Y392-V394 HydrophobicContact CD1-CG1 4.17Å; Y392-V394 HydrophobicContact CE1-CG1 4.28Å; V394-G396 PolarHBondContact O-N 2.84Å; V394-M397 WeakPolarHBondContact O-CB 3.49Å; V394-M397 PolarHBondContact O-N 3.18Å; V394-F449 HydrophobicContact CB-CD1 3.58Å; V394-F449 HydrophobicContact CB-CE1 3.7Å; V394-F449 HydrophobicContact CG1-CD1 3.68Å; V394-F449 HydrophobicContact CG1-CE1 3.47Å; V394-F449 VanDerWaalsContact CG1-CE1 3.47Å; V394-F449 HydrophobicContact CG2-CD1 3.86Å; V394-F449 HydrophobicContact CG2-CE1 4.47Å; V394-H453 HydrophobicContact CG1-CB 4.05Å | ||
| 395 | H | 88.3 | Confident | 93.6 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 99.6 | 177 | -63.5 | -74.7 | 0 | 0 | 0 | 109.6 | S393 Y446 D599 R613 | S393-H395 VanDerWaalsContact C-N 3.29Å; H395-Y446 WeakPolarHBondContact ND1-CB 3.43Å; H395-D599 IonicContact CD2-OD1 2.71Å; H395-D599 IonicContact CD2-OD2 3.07Å; H395-D599 IonicContact CE1-OD2 3.12Å; H395-D599 IonicContact NE2-OD1 3.27Å; H395-D599 IonicContact NE2-OD2 2.84Å; H395-D599 PolarHBondContact NE2-OD2 3.39Å; H395-R613 PolarHBondContact CE1-NH1 2.82Å; H395-R613 VanDerWaalsContact CG-NH1 3.31Å; H395-R613 PolarHBondContact ND1-NH1 3.26Å |
| 396 | G | 84.9 | Confident | 93.9 | Very high | 74 Ų | 74 | 44.1 Ų | 44.1 | 76% | 0.763 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 130.7 | -15.7 | -173 | 0 | 0 | 0 | 0 | 0 | 113.7 | V394 | V394-G396 PolarHBondContact O-N 2.84Š|
| 397 | M | 93.4 | Very high | 94.2 | Very high | 18 Ų | 18 | 39 Ų | 39 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -70.9 | 132.6 | 171 | -173.4 | 177.1 | -71.2 | 0 | 0 | 109.8 | I387 Y392 V394 T402 Y446 F449 | I387-M397 HydrophobicContact CD1-CE 4.33Å; Y392-M397 HydrophobicContact CE1-CE 3.94Å; Y392-M397 WeakPolarHBondContact OH-CE 3.46Å; V394-M397 WeakPolarHBondContact O-CB 3.49Å; V394-M397 PolarHBondContact O-N 3.18Å; M397-T402 HydrophobicContact CB-CG2 3.86Å; M397-T402 HydrophobicContact CG-CG2 3.75Å; M397-T402 HydrophobicContact SD-CG2 3.73Å; M397-Y446 WeakPolarHBondContact O-CE1 3.49Å; M397-Y446 PolarHBondContact O-OH 2.83Å; M397-F449 HydrophobicContact SD-CE1 4.3Å; M397-F449 HydrophobicContact SD-CZ 4.43Å |
| 398 | P | 95.2 | Very high | 94.4 | Very high | 74 Ų | 74 | 38.7 Ų | 38.7 | 48% | 0.481 | 21% | 0.213 | S | C | . | . | trans | -62.7 | 144.3 | 174 | -18.5 | 29.3 | 0 | 0 | 0 | 110.9 | Y400 Y401 T402 | P398-Y400 VanDerWaalsContact C-N 3.26Å; P398-Y400 PolarHBondContact O-N 3.4Å; P398-Y400 VanDerWaalsContact O-N 3.15Å; P398-Y401 HydrophobicContact CB-CD2 3.89Å; P398-Y401 HydrophobicContact CG-CD2 3.73Å; P398-Y401 HydrophobicContact CG-CE2 4.25Å; P398-Y401 WeakPolarHBondContact O-CA 3.47Å; P398-Y401 WeakPolarHBondContact O-CB 3.42Å; P398-Y401 PolarHBondContact O-N 2.69Å; P398-T402 PolarHBondContact O-N 3.48Å; P398-T402 VanDerWaalsContact O-N 3.12Å | ||
| 399 | I | 94.1 | Very high | 94.5 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 34% | 0.344 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -50.8 | -45.1 | -174.3 | -67.1 | 174.6 | 0 | 0 | 0 | 112 | Y401 T402 L403 K434 Y446 | I399-Y401 VanDerWaalsContact C-N 3.26Å; I399-Y401 PolarHBondContact O-N 3.15Å; I399-T402 PolarHBondContact O-N 2.89Å; I399-T402 PolarHBondContact O-OG1 2.97Å; I399-L403 HydrophobicContact CG2-CD1 4.15Å; I399-L403 PolarHBondContact O-N 3.45Å; I399-K434 HydrophobicContact CG2-CD 4.42Å; I399-K434 HydrophobicContact CG2-CG 4.3Å; I399-Y446 HydrophobicContact CG1-CE2 4.37Å |
| 400 | Y | 92.9 | Very high | 94.6 | Very high | 99 Ų | 99 | 35.3 Ų | 35.3 | 39% | 0.388 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.5 | -37.9 | 178.1 | -179.3 | -110.9 | 0 | 0 | 0 | 113.3 | P398 L403 K404 | P398-Y400 VanDerWaalsContact C-N 3.26Å; P398-Y400 PolarHBondContact O-N 3.4Å; P398-Y400 VanDerWaalsContact O-N 3.15Å; Y400-L403 PolarHBondContact O-N 3.33Å; Y400-K404 HydrophobicContact CD1-CD 4.31Å; Y400-K404 HydrophobicContact CE1-CD 3.78Å; Y400-K404 HydrophobicContact CE1-CG 4.5Å; Y400-K404 PolarHBondContact O-N 3Å; Y400-K404 VanDerWaalsContact O-N 3.09Å; Y400-K404 WeakPolarHBondContact OH-CE 3.44Å; Y400-K404 PolarHBondContact OH-NZ 2.88Å |
| 401 | Y | 93.3 | Very high | 94.6 | Very high | 128 Ų | 128 | 41.1 Ų | 41.1 | 50% | 0.502 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.3 | -37 | 175.1 | -73.7 | -77 | 0 | 0 | 0 | 111.8 | P398 I399 L403 K404 T405 | P398-Y401 HydrophobicContact CB-CD2 3.89Å; P398-Y401 HydrophobicContact CG-CD2 3.73Å; P398-Y401 HydrophobicContact CG-CE2 4.25Å; P398-Y401 WeakPolarHBondContact O-CA 3.47Å; P398-Y401 WeakPolarHBondContact O-CB 3.42Å; P398-Y401 PolarHBondContact O-N 2.69Å; I399-Y401 VanDerWaalsContact C-N 3.26Å; I399-Y401 PolarHBondContact O-N 3.15Å; Y401-L403 VanDerWaalsContact C-N 3.3Å; Y401-L403 PolarHBondContact O-N 3.3Å; Y401-K404 PolarHBondContact O-N 3.23Å; Y401-T405 WeakPolarHBondContact O-CB 3.19Å; Y401-T405 PolarHBondContact O-N 3.02Å; Y401-T405 PolarHBondContact O-OG1 3.16Å |
| 402 | T | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -42.4 | 174.2 | 67.3 | 0 | 0 | 0 | 0 | 111.5 | M397 P398 I399 T405 A406 W445 Y446 F449 | M397-T402 HydrophobicContact CB-CG2 3.86Å; M397-T402 HydrophobicContact CG-CG2 3.75Å; M397-T402 HydrophobicContact SD-CG2 3.73Å; P398-T402 PolarHBondContact O-N 3.48Å; P398-T402 VanDerWaalsContact O-N 3.12Å; I399-T402 PolarHBondContact O-N 2.89Å; I399-T402 PolarHBondContact O-OG1 2.97Å; T402-T405 PolarHBondContact O-N 2.91Å; T402-A406 WeakPolarHBondContact O-CB 3.35Å; T402-A406 PolarHBondContact O-N 3.15Å; T402-W445 PolarHBondContact OG1-NE1 3.12Å; T402-Y446 HydrophobicContact CG2-CD1 4.42Å; T402-Y446 HydrophobicContact CG2-CE1 3.97Å; T402-F449 HydrophobicContact CG2-CD1 4.02Å; T402-F449 HydrophobicContact CG2-CE1 4.04Å; T402-F449 HydrophobicContact CG2-CG 4.37Å; T402-F449 HydrophobicContact CG2-CZ 4.44Å; T402-F449 WeakPolarHBondContact O-CE2 3.49Å |
| 403 | L | 96 | Very high | 94.6 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.9 | -42 | 176.8 | -68.6 | 167.4 | 0 | 0 | 0 | 112 | L375 I399 Y400 Y401 A406 M407 L430 L431 K434 W445 | L375-L403 HydrophobicContact CD1-CB 3.89Å; L375-L403 HydrophobicContact CD2-CB 3.93Å; L375-L403 HydrophobicContact CD2-CD1 4.45Å; I399-L403 HydrophobicContact CG2-CD1 4.15Å; I399-L403 PolarHBondContact O-N 3.45Å; Y400-L403 PolarHBondContact O-N 3.33Å; Y401-L403 VanDerWaalsContact C-N 3.3Å; Y401-L403 PolarHBondContact O-N 3.3Å; L403-A406 PolarHBondContact O-N 3.34Å; L403-M407 PolarHBondContact O-N 3.25Å; L403-L430 HydrophobicContact CD2-CB 3.94Å; L403-L431 HydrophobicContact CD1-CD2 3.71Å; L403-K434 HydrophobicContact CD2-CB 4.23Å; L403-W445 HydrophobicContact CD2-CH2 4.2Å; L403-W445 HydrophobicContact CD2-CZ2 3.83Å; L403-W445 HydrophobicContact CG-CZ2 4.45Å |
| 404 | K | 94.6 | Very high | 94.6 | Very high | 53 Ų | 53 | 38.9 Ų | 38.9 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 174.4 | -82.2 | -173.1 | 164.5 | 173.1 | 0 | 112.6 | L375 Y400 Y401 A406 M407 A408 | L375-K404 HydrophobicContact CD1-CG 3.94Å; Y400-K404 HydrophobicContact CD1-CD 4.31Å; Y400-K404 HydrophobicContact CE1-CD 3.78Å; Y400-K404 HydrophobicContact CE1-CG 4.5Å; Y400-K404 PolarHBondContact O-N 3Å; Y400-K404 VanDerWaalsContact O-N 3.09Å; Y400-K404 WeakPolarHBondContact OH-CE 3.44Å; Y400-K404 PolarHBondContact OH-NZ 2.88Å; Y401-K404 PolarHBondContact O-N 3.23Å; K404-A406 VanDerWaalsContact C-N 3.31Å; K404-M407 PolarHBondContact O-N 3.31Å; K404-A408 WeakPolarHBondContact O-CB 3.02Å; K404-A408 PolarHBondContact O-N 3.44Å |
| 405 | T | 95.5 | Very high | 94.8 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 176.8 | -53.1 | 0 | 0 | 0 | 0 | 110.2 | I387 Y401 T402 M407 A408 M409 F449 | I387-T405 HydrophobicContact CG2-CG2 4.28Å; Y401-T405 WeakPolarHBondContact O-CB 3.19Å; Y401-T405 PolarHBondContact O-N 3.02Å; Y401-T405 PolarHBondContact O-OG1 3.16Å; T402-T405 PolarHBondContact O-N 2.91Å; T405-M407 PolarHBondContact O-N 2.62Å; T405-A408 CarbonylContact O-C 3.49Å; T405-A408 WeakPolarHBondContact O-CA 3.26Å; T405-A408 WeakPolarHBondContact O-CB 3.31Å; T405-A408 PolarHBondContact O-N 3.39Å; T405-A408 VanDerWaalsContact O-N 3.1Å; T405-M409 HydrophobicContact CG2-CE 3.82Å; T405-M409 VanDerWaalsContact O-CG 3.31Å; T405-M409 WeakPolarHBondContact O-CG 3.42Å; T405-M409 PolarHBondContact O-N 3.29Å; T405-F449 HydrophobicContact CG2-CZ 4.1Å |
| 406 | A | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T402 L403 K404 A408 M409 F410 L430 F449 F482 | T402-A406 WeakPolarHBondContact O-CB 3.35Å; T402-A406 PolarHBondContact O-N 3.15Å; L403-A406 PolarHBondContact O-N 3.34Å; K404-A406 VanDerWaalsContact C-N 3.31Å; A406-A408 VanDerWaalsContact C-N 3.27Å; A406-A408 PolarHBondContact O-N 3.12Å; A406-M409 WeakPolarHBondContact O-CB 3.37Å; A406-M409 PolarHBondContact O-N 3.1Å; A406-M409 VanDerWaalsContact O-N 3.11Å; A406-F410 WeakPolarHBondContact O-CD2 3.43Å; A406-F410 PolarHBondContact O-N 3.31Å; A406-L430 HydrophobicContact CB-CD1 3.77Å; A406-L430 HydrophobicContact CB-CD2 3.84Å; A406-L430 HydrophobicContact CB-CG 4.43Å; A406-F449 HydrophobicContact CB-CE2 4.13Å; A406-F482 HydrophobicContact CB-CE1 3.99Å; A406-F482 HydrophobicContact CB-CE2 4.49Å; A406-F482 HydrophobicContact CB-CZ 3.6Å |
| 407 | M | 96.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57 | -41.8 | 172.7 | -72.5 | -163.2 | 74.9 | 0 | 0 | 112.5 | L375 L403 K404 T405 M409 F410 Y411 R423 L426 A427 L430 | L375-M407 HydrophobicContact CD1-CG 4.48Å; L375-M407 HydrophobicContact CD1-SD 3.9Å; L375-M407 HydrophobicContact CD2-SD 4.3Å; L375-M407 HydrophobicContact CG-CG 4.45Å; L375-M407 HydrophobicContact CG-SD 3.61Å; L403-M407 PolarHBondContact O-N 3.25Å; K404-M407 PolarHBondContact O-N 3.31Å; T405-M407 PolarHBondContact O-N 2.62Å; M407-M409 VanDerWaalsContact C-N 3.32Å; M407-M409 PolarHBondContact O-N 3.17Å; M407-F410 PolarHBondContact O-N 3.45Å; M407-Y411 PolarHBondContact O-N 3.15Å; M407-Y411 VanDerWaalsContact O-N 3.12Å; M407-R423 HydrophobicContact CE-CG 3.44Å; M407-R423 VanDerWaalsContact CE-CG 3.44Å; M407-L426 HydrophobicContact CE-CD2 4.45Å; M407-L426 HydrophobicContact CG-CD2 4.47Å; M407-A427 HydrophobicContact SD-CB 4.38Å; M407-L430 HydrophobicContact CG-CD1 3.64Å |
| 408 | A | 96.1 | Very high | 96 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 5% | 0.05 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.1 | -32.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I380 I383 K404 T405 A406 Y411 D412 | I380-A408 HydrophobicContact CG2-CB 3.84Å; I383-A408 HydrophobicContact CD1-CB 3.93Å; I383-A408 HydrophobicContact CG1-CB 3.62Å; K404-A408 WeakPolarHBondContact O-CB 3.02Å; K404-A408 PolarHBondContact O-N 3.44Å; T405-A408 CarbonylContact O-C 3.49Å; T405-A408 WeakPolarHBondContact O-CA 3.26Å; T405-A408 WeakPolarHBondContact O-CB 3.31Å; T405-A408 PolarHBondContact O-N 3.39Å; T405-A408 VanDerWaalsContact O-N 3.1Å; A406-A408 VanDerWaalsContact C-N 3.27Å; A406-A408 PolarHBondContact O-N 3.12Å; A408-Y411 PolarHBondContact O-N 2.94Å; A408-D412 WeakPolarHBondContact O-CB 3.32Å; A408-D412 PolarHBondContact O-N 3.16Å |
| 409 | M | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.4 | -46.8 | 174.9 | -67 | 171.7 | -170.2 | 0 | 0 | 110.8 | I383 T405 A406 M407 Y411 M413 F449 H453 F456 L478 F482 | I383-M409 HydrophobicContact CD1-CG 3.94Å; T405-M409 HydrophobicContact CG2-CE 3.82Å; T405-M409 VanDerWaalsContact O-CG 3.31Å; T405-M409 WeakPolarHBondContact O-CG 3.42Å; T405-M409 PolarHBondContact O-N 3.29Å; A406-M409 WeakPolarHBondContact O-CB 3.37Å; A406-M409 PolarHBondContact O-N 3.1Å; A406-M409 VanDerWaalsContact O-N 3.11Å; M407-M409 VanDerWaalsContact C-N 3.32Å; M407-M409 PolarHBondContact O-N 3.17Å; M409-Y411 VanDerWaalsContact C-N 3.32Å; M409-Y411 PolarHBondContact O-N 3.31Å; M409-M413 VanDerWaalsContact O-CB 3.31Å; M409-M413 WeakPolarHBondContact O-CB 3.48Å; M409-M413 WeakPolarHBondContact O-CG 3.45Å; M409-M413 PolarHBondContact O-N 3.43Å; M409-F449 HydrophobicContact CE-CE2 3.88Å; M409-F449 HydrophobicContact CE-CZ 3.78Å; M409-H453 HydrophobicContact CE-CB 3.88Å; M409-F456 HydrophobicContact CB-CD2 3.75Å; M409-F456 HydrophobicContact CB-CE2 4.11Å; M409-F456 HydrophobicContact CB-CG 4.16Å; M409-F456 HydrophobicContact CE-CD1 4.49Å; M409-F456 HydrophobicContact CG-CB 4.13Å; M409-F456 HydrophobicContact CG-CD1 3.97Å; M409-F456 HydrophobicContact CG-CD2 3.73Å; M409-F456 HydrophobicContact CG-CE1 4.34Å; M409-F456 HydrophobicContact CG-CE2 4.12Å; M409-F456 HydrophobicContact CG-CG 3.65Å; M409-F456 HydrophobicContact CG-CZ 4.42Å; M409-F456 HydrophobicContact SD-CB 3.93Å; M409-F456 HydrophobicContact SD-CD1 4.5Å; M409-F456 HydrophobicContact SD-CG 4.1Å; M409-L478 HydrophobicContact CB-CD2 4.46Å; M409-F482 HydrophobicContact SD-CZ 4.24Å |
| 410 | F | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -37.8 | 177.1 | -81.6 | -95.2 | 0 | 0 | 0 | 112.6 | A406 M407 F415 M416 I421 L426 L478 V479 F482 I533 | A406-F410 WeakPolarHBondContact O-CD2 3.43Å; A406-F410 PolarHBondContact O-N 3.31Å; M407-F410 PolarHBondContact O-N 3.45Å; F410-F415 HydrophobicContact CD1-CB 4.16Å; F410-F415 AromaticContact CD1-CD2 3.96Å; F410-F415 HydrophobicContact CD1-CD2 3.96Å; F410-F415 HydrophobicContact CE1-CD2 4.44Å; F410-F415 HydrophobicContact CG-CD2 4.5Å; F410-F415 PolarHBondContact O-N 3.01Å; F410-F415 VanDerWaalsContact O-N 3.08Å; F410-M416 HydrophobicContact CB-CG 4.1Å; F410-I421 HydrophobicContact CD1-CD1 3.91Å; F410-I421 HydrophobicContact CE1-CD1 4.26Å; F410-L426 HydrophobicContact CB-CD2 3.65Å; F410-L426 HydrophobicContact CD1-CD1 4.11Å; F410-L426 HydrophobicContact CD1-CD2 4.48Å; F410-L426 HydrophobicContact CD2-CD1 3.8Å; F410-L426 HydrophobicContact CD2-CD2 4.18Å; F410-L426 HydrophobicContact CE1-CD1 4.19Å; F410-L426 HydrophobicContact CE2-CD1 3.88Å; F410-L426 HydrophobicContact CG-CD1 3.92Å; F410-L426 HydrophobicContact CG-CD2 3.87Å; F410-L426 HydrophobicContact CZ-CD1 4.08Å; F410-L478 HydrophobicContact CD2-CD2 4.25Å; F410-L478 HydrophobicContact CE2-CD2 4.01Å; F410-L478 HydrophobicContact CZ-CD2 4.18Å; F410-V479 HydrophobicContact CE1-CG2 4.16Å; F410-V479 HydrophobicContact CZ-CG2 3.89Å; F410-F482 HydrophobicContact CE2-CD2 4.27Å; F410-F482 AromaticContact CE2-CE2 3.8Å; F410-F482 HydrophobicContact CE2-CE2 3.8Å; F410-I533 HydrophobicContact CE1-CD1 4.04Å; F410-I533 HydrophobicContact CZ-CD1 4.33Å |
| 411 | Y | 96.4 | Very high | 96.5 | Very high | 132 Ų | 132 | 33.8 Ų | 33.8 | 52% | 0.518 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.6 | -51 | 177.7 | -179.4 | -97.2 | 0 | 0 | 0 | 112.1 | I380 M407 A408 M409 M413 G414 M416 | I380-Y411 HydrophobicContact CD1-CD2 3.86Å; I380-Y411 HydrophobicContact CD1-CG 3.95Å; I380-Y411 HydrophobicContact CG2-CD1 3.94Å; I380-Y411 HydrophobicContact CG2-CG 3.93Å; M407-Y411 PolarHBondContact O-N 3.15Å; M407-Y411 VanDerWaalsContact O-N 3.12Å; A408-Y411 PolarHBondContact O-N 2.94Å; M409-Y411 VanDerWaalsContact C-N 3.32Å; M409-Y411 PolarHBondContact O-N 3.31Å; Y411-M413 VanDerWaalsContact C-N 3.28Å; Y411-M413 PolarHBondContact O-N 3.05Å; Y411-G414 PolarHBondContact O-N 3.39Å; Y411-M416 HydrophobicContact CD2-SD 4.19Å |
| 412 | D | 95.6 | Very high | 96.7 | Very high | 60 Ų | 60 | 31.6 Ų | 31.6 | 32% | 0.321 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.6 | -32.7 | -176.9 | -178.3 | 85.7 | 0 | 0 | 0 | 112.3 | A408 G414 F456 K460 | A408-D412 WeakPolarHBondContact O-CB 3.32Å; A408-D412 PolarHBondContact O-N 3.16Å; D412-G414 PolarHBondContact O-N 3.49Å; D412-F456 HydrophobicContact CB-CE2 4.44Å; D412-K460 IonicContact OD1-NZ 3.47Å; D412-K460 WeakPolarHBondContact OD2-CD 3.29Å; D412-K460 WeakPolarHBondContact OD2-CE 3.34Å; D412-K460 IonicContact OD2-NZ 2.82Å; D412-K460 PolarHBondContact OD2-NZ 3.44Å |
| 413 | M | 95.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 10% | 0.103 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5 | 173.3 | -65.9 | -54.8 | -56.5 | 0 | 0 | 113.9 | M409 Y411 F415 F456 M459 K460 R466 | M409-M413 VanDerWaalsContact O-CB 3.31Å; M409-M413 WeakPolarHBondContact O-CB 3.48Å; M409-M413 WeakPolarHBondContact O-CG 3.45Å; M409-M413 PolarHBondContact O-N 3.43Å; Y411-M413 VanDerWaalsContact C-N 3.28Å; Y411-M413 PolarHBondContact O-N 3.05Å; M413-F415 HydrophobicContact CB-CD1 3.9Å; M413-F415 HydrophobicContact CB-CD2 3.83Å; M413-F415 HydrophobicContact CB-CE1 3.69Å; M413-F415 HydrophobicContact CB-CE2 3.6Å; M413-F415 HydrophobicContact CB-CG 3.98Å; M413-F415 HydrophobicContact CB-CZ 3.53Å; M413-F415 HydrophobicContact CE-CE1 4.43Å; M413-F415 HydrophobicContact CE-CZ 4.15Å; M413-F415 HydrophobicContact CG-CE2 4.04Å; M413-F415 HydrophobicContact CG-CZ 4.03Å; M413-F415 PolarHBondContact O-N 3.21Å; M413-F456 HydrophobicContact CG-CD2 3.76Å; M413-F456 HydrophobicContact CG-CE2 3.77Å; M413-F456 HydrophobicContact SD-CD2 3.98Å; M413-F456 HydrophobicContact SD-CE2 3.82Å; M413-M459 HydrophobicContact CE-CB 3.7Å; M413-M459 HydrophobicContact CE-CE 4.19Å; M413-M459 HydrophobicContact CE-CG 4.35Å; M413-M459 HydrophobicContact CE-SD 3.8Å; M413-M459 HydrophobicContact CG-CE 4.25Å; M413-M459 HydrophobicContact SD-CB 4.23Å; M413-M459 HydrophobicContact SD-CE 4.46Å; M413-K460 HydrophobicContact SD-CD 3.79Å; M413-K460 HydrophobicContact SD-CG 4.33Å; M413-R466 HydrophobicContact CE-CG 4.41Å |
| 414 | G | 96.3 | Very high | 96.6 | Very high | 25 Ų | 25 | 38.4 Ų | 38.4 | 26% | 0.258 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 11.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y411 D412 M416 S417 A418 | Y411-G414 PolarHBondContact O-N 3.39Å; D412-G414 PolarHBondContact O-N 3.49Å; G414-M416 VanDerWaalsContact C-N 3.29Å; G414-M416 PolarHBondContact O-N 3.44Å; G414-S417 PolarHBondContact O-OG 2.84Å; G414-A418 VanDerWaalsContact O-CB 3.3Å; G414-A418 WeakPolarHBondContact O-CB 3.37Å; G414-A418 PolarHBondContact O-N 3.15Å; G414-A418 VanDerWaalsContact O-N 3.13Å |
| 415 | F | 98 | Very high | 96.7 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -35.7 | -178.1 | -60.7 | -23.3 | 0 | 0 | 0 | 111.8 | F410 M413 S417 L419 I421 M459 T471 C474 A475 L478 | F410-F415 HydrophobicContact CD1-CB 4.16Å; F410-F415 AromaticContact CD1-CD2 3.96Å; F410-F415 HydrophobicContact CD1-CD2 3.96Å; F410-F415 HydrophobicContact CE1-CD2 4.44Å; F410-F415 HydrophobicContact CG-CD2 4.5Å; F410-F415 PolarHBondContact O-N 3.01Å; F410-F415 VanDerWaalsContact O-N 3.08Å; M413-F415 HydrophobicContact CB-CD1 3.9Å; M413-F415 HydrophobicContact CB-CD2 3.83Å; M413-F415 HydrophobicContact CB-CE1 3.69Å; M413-F415 HydrophobicContact CB-CE2 3.6Å; M413-F415 HydrophobicContact CB-CG 3.98Å; M413-F415 HydrophobicContact CB-CZ 3.53Å; M413-F415 HydrophobicContact CE-CE1 4.43Å; M413-F415 HydrophobicContact CE-CZ 4.15Å; M413-F415 HydrophobicContact CG-CE2 4.04Å; M413-F415 HydrophobicContact CG-CZ 4.03Å; M413-F415 PolarHBondContact O-N 3.21Å; F415-S417 PolarHBondContact O-N 2.71Å; F415-L419 HydrophobicContact CB-CD1 4.43Å; F415-L419 WeakPolarHBondContact O-CB 3.22Å; F415-L419 PolarHBondContact O-N 3.18Å; F415-I421 HydrophobicContact CB-CD1 4.12Å; F415-M459 HydrophobicContact CE2-CE 4.32Å; F415-M459 HydrophobicContact CZ-CE 4.18Å; F415-M459 HydrophobicContact CZ-SD 4Å; F415-T471 HydrophobicContact CD1-CG2 3.67Å; F415-T471 HydrophobicContact CE1-CG2 4.09Å; F415-C474 HydrophobicContact CE1-CB 3.92Å; F415-C474 HydrophobicContact CZ-CB 3.69Å; F415-A475 HydrophobicContact CB-CB 4.33Å; F415-A475 HydrophobicContact CD1-CB 4.15Å; F415-A475 HydrophobicContact CD2-CB 3.81Å; F415-A475 HydrophobicContact CE1-CB 4.39Å; F415-A475 HydrophobicContact CE2-CB 4.07Å; F415-A475 HydrophobicContact CG-CB 3.85Å; F415-A475 HydrophobicContact CZ-CB 4.36Å; F415-L478 HydrophobicContact CD2-CD2 4.29Å; F415-L478 HydrophobicContact CE2-CD2 3.84Å |
| 416 | M | 96.9 | Very high | 96.8 | Very high | 25 Ų | 25 | 36.9 Ų | 36.9 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -46.5 | -177.6 | -63.3 | -178.9 | 66.9 | 0 | 0 | 113 | I380 F410 Y411 G414 G420 I421 R423 L426 | I380-M416 HydrophobicContact CD1-SD 4.23Å; F410-M416 HydrophobicContact CB-CG 4.1Å; Y411-M416 HydrophobicContact CD2-SD 4.19Å; G414-M416 VanDerWaalsContact C-N 3.29Å; G414-M416 PolarHBondContact O-N 3.44Å; M416-G420 CarbonylContact O-C 3.59Å; M416-G420 WeakPolarHBondContact O-CA 3.38Å; M416-G420 PolarHBondContact O-N 3.16Å; M416-I421 HydrophobicContact CB-CB 4.49Å; M416-I421 HydrophobicContact CG-CB 4.42Å; M416-I421 PolarHBondContact O-N 2.84Å; M416-R423 HydrophobicContact CE-CB 3.71Å; M416-R423 HydrophobicContact CE-CG 3.9Å; M416-L426 HydrophobicContact CE-CD2 4.41Å; M416-L426 HydrophobicContact CG-CD2 4.3Å; M416-L426 HydrophobicContact SD-CD2 4.03Å |
| 417 | S | 97.2 | Very high | 96.8 | Very high | 106 Ų | 106 | 36.9 Ų | 36.9 | 74% | 0.741 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -73.5 | -43.9 | 178.5 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | G414 F415 L419 | G414-S417 PolarHBondContact O-OG 2.84Å; F415-S417 PolarHBondContact O-N 2.71Å; S417-L419 PolarHBondContact O-N 2.99Å |
| 418 | A | 97.8 | Very high | 96.7 | Very high | 62 Ų | 62 | 38.2 Ų | 38.2 | 51% | 0.512 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.4 | -31.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | G414 T471 | G414-A418 VanDerWaalsContact O-CB 3.3Å; G414-A418 WeakPolarHBondContact O-CB 3.37Å; G414-A418 PolarHBondContact O-N 3.15Å; G414-A418 VanDerWaalsContact O-N 3.13Å; A418-T471 HydrophobicContact CB-CG2 3.74Å |
| 419 | L | 98.1 | Very high | 96.7 | Very high | 18 Ų | 18 | 37.9 Ų | 37.9 | 9% | 0.094 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 3.1 | -175.4 | -54.6 | 178 | 0 | 0 | 0 | 113 | F415 S417 I421 T471 L472 A475 F534 L537 | F415-L419 HydrophobicContact CB-CD1 4.43Å; F415-L419 WeakPolarHBondContact O-CB 3.22Å; F415-L419 PolarHBondContact O-N 3.18Å; S417-L419 PolarHBondContact O-N 2.99Å; L419-I421 VanDerWaalsContact C-N 3.31Å; L419-I421 HydrophobicContact CB-CD1 4.35Å; L419-I421 HydrophobicContact CB-CG1 4.04Å; L419-I421 HydrophobicContact CD1-CD1 4.39Å; L419-I421 PolarHBondContact O-N 2.99Å; L419-T471 HydrophobicContact CD2-CG2 4.49Å; L419-T471 HydrophobicContact CG-CG2 4.44Å; L419-L472 HydrophobicContact CD1-CD1 4.32Å; L419-L472 HydrophobicContact CD2-CB 4.22Å; L419-L472 HydrophobicContact CD2-CD1 4.14Å; L419-A475 HydrophobicContact CD1-CB 3.47Å; L419-A475 VanDerWaalsContact CD1-CB 3.47Å; L419-F534 HydrophobicContact CD1-CE1 4Å; L419-L537 HydrophobicContact CB-CD2 4.24Å; L419-L537 HydrophobicContact CD2-CD2 4.23Å |
| 420 | G | 97.5 | Very high | 96.7 | Very high | 34 Ų | 34 | 37.9 Ų | 37.9 | 35% | 0.351 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 32 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | M416 E422 Q536 | M416-G420 CarbonylContact O-C 3.59Å; M416-G420 WeakPolarHBondContact O-CA 3.38Å; M416-G420 PolarHBondContact O-N 3.16Å; G420-E422 PolarHBondContact O-N 2.89Å; G420-E422 VanDerWaalsContact O-N 3.15Å; G420-Q536 VanDerWaalsContact O-CG 3.31Å; G420-Q536 WeakPolarHBondContact O-CG 3.3Å |
| 421 | I | 98 | Very high | 96.6 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | trans | -72.6 | 111.7 | -179.5 | -54.6 | 169.6 | 0 | 0 | 0 | 109.3 | F410 F415 M416 L419 R423 L426 I533 F534 | F410-I421 HydrophobicContact CD1-CD1 3.91Å; F410-I421 HydrophobicContact CE1-CD1 4.26Å; F415-I421 HydrophobicContact CB-CD1 4.12Å; M416-I421 HydrophobicContact CB-CB 4.49Å; M416-I421 HydrophobicContact CG-CB 4.42Å; M416-I421 PolarHBondContact O-N 2.84Å; L419-I421 VanDerWaalsContact C-N 3.31Å; L419-I421 HydrophobicContact CB-CD1 4.35Å; L419-I421 HydrophobicContact CB-CG1 4.04Å; L419-I421 HydrophobicContact CD1-CD1 4.39Å; L419-I421 PolarHBondContact O-N 2.99Å; I421-R423 PolarHBondContact O-N 3.31Å; I421-L426 HydrophobicContact CG2-CB 3.9Å; I421-I533 HydrophobicContact CG1-CB 4.48Å; I421-I533 WeakPolarHBondContact CG1-O 3.47Å; I421-I533 HydrophobicContact CG2-CB 3.72Å; I421-I533 HydrophobicContact CG2-CG2 3.97Å; I421-F534 HydrophobicContact CD1-CE1 4.21Å | ||
| 422 | E | 96.4 | Very high | 96.5 | Very high | 81 Ų | 81 | 33.1 Ų | 33.1 | 38% | 0.379 | 19% | 0.19 | S | C | . | . | trans | -67.5 | 128.3 | 174.3 | -65.5 | 172 | -114.4 | 0 | 0 | 110.7 | G420 K424 K425 L426 Q536 | G420-E422 PolarHBondContact O-N 2.89Å; G420-E422 VanDerWaalsContact O-N 3.15Å; E422-K424 VanDerWaalsContact C-N 3.27Å; E422-K424 PolarHBondContact O-N 2.93Å; E422-K425 HydrophobicContact CB-CB 4.25Å; E422-K425 HydrophobicContact CB-CD 4.19Å; E422-K425 HydrophobicContact CB-CG 4.1Å; E422-K425 PolarHBondContact O-N 3.39Å; E422-K425 WeakPolarHBondContact OE1-CE 3.39Å; E422-K425 IonicContact OE1-NZ 3.4Å; E422-K425 PolarHBondContact OE1-NZ 3.21Å; E422-K425 IonicContact OE2-NZ 3.64Å; E422-L426 PolarHBondContact O-N 3.13Å; E422-Q536 PolarHBondContact OE1-NE2 3.47Å | ||
| 423 | R | 95.5 | Very high | 96.5 | Very high | 82 Ų | 82 | 30.3 Ų | 30.3 | 31% | 0.309 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.5 | -38.3 | -175.4 | -169 | 171.9 | 177.9 | -174.2 | -9.8 | 113.9 | C376 G378 I380 M407 M416 I421 L426 A427 | C376-R423 PolarHBondContact O-NE 2.92Å; C376-R423 PolarHBondContact O-NH2 3.19Å; G378-R423 PolarHBondContact O-NH2 3.06Å; I380-R423 VanDerWaalsContact CG1-NH2 3.35Å; M407-R423 HydrophobicContact CE-CG 3.44Å; M407-R423 VanDerWaalsContact CE-CG 3.44Å; M416-R423 HydrophobicContact CE-CB 3.71Å; M416-R423 HydrophobicContact CE-CG 3.9Å; I421-R423 PolarHBondContact O-N 3.31Å; R423-L426 PolarHBondContact O-N 3.49Å; R423-A427 PolarHBondContact O-N 3.09Å |
| 424 | K | 95.4 | Very high | 96.5 | Very high | 70 Ų | 70 | 31.3 Ų | 31.3 | 30% | 0.304 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.7 | -40.4 | 177.4 | -167.6 | 180 | -170.8 | -175.9 | 0 | 111.7 | E369 E422 A427 R428 | E369-K424 WeakPolarHBondContact OE1-CE 3.5Å; E369-K424 IonicContact OE1-NZ 3.88Å; E369-K424 PolarHBondContact OE1-NZ 3.49Å; E369-K424 IonicContact OE2-NZ 2.76Å; E422-K424 VanDerWaalsContact C-N 3.27Å; E422-K424 PolarHBondContact O-N 2.93Å; K424-A427 PolarHBondContact O-N 2.84Å; K424-R428 PolarHBondContact O-N 2.74Å |
| 425 | K | 96 | Very high | 96.3 | Very high | 36 Ų | 36 | 34.3 Ų | 34.3 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.2 | -39 | 175.9 | -66.7 | -174.2 | 174.9 | 160.7 | 0 | 111.3 | E422 R428 F429 P529 N532 I533 S535 | E422-K425 HydrophobicContact CB-CB 4.25Å; E422-K425 HydrophobicContact CB-CD 4.19Å; E422-K425 HydrophobicContact CB-CG 4.1Å; E422-K425 PolarHBondContact O-N 3.39Å; E422-K425 WeakPolarHBondContact OE1-CE 3.39Å; E422-K425 IonicContact OE1-NZ 3.4Å; E422-K425 PolarHBondContact OE1-NZ 3.21Å; E422-K425 IonicContact OE2-NZ 3.64Å; K425-R428 PolarHBondContact O-N 2.58Å; K425-F429 VanDerWaalsContact O-CB 3.29Å; K425-F429 WeakPolarHBondContact O-CB 3.38Å; K425-F429 PolarHBondContact O-N 3.29Å; K425-P529 WeakPolarHBondContact CE-O 3.18Å; K425-N532 WeakPolarHBondContact CD-O 3.46Å; K425-I533 HydrophobicContact CB-CG2 4.44Å; K425-S535 PolarHBondContact NZ-OG 2.9Å |
| 426 | L | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 173.8 | -179.6 | 60.9 | 0 | 0 | 0 | 112.3 | M407 F410 M416 I421 E422 R423 R428 F429 L430 I533 | M407-L426 HydrophobicContact CE-CD2 4.45Å; M407-L426 HydrophobicContact CG-CD2 4.47Å; F410-L426 HydrophobicContact CB-CD2 3.65Å; F410-L426 HydrophobicContact CD1-CD1 4.11Å; F410-L426 HydrophobicContact CD1-CD2 4.48Å; F410-L426 HydrophobicContact CD2-CD1 3.8Å; F410-L426 HydrophobicContact CD2-CD2 4.18Å; F410-L426 HydrophobicContact CE1-CD1 4.19Å; F410-L426 HydrophobicContact CE2-CD1 3.88Å; F410-L426 HydrophobicContact CG-CD1 3.92Å; F410-L426 HydrophobicContact CG-CD2 3.87Å; F410-L426 HydrophobicContact CZ-CD1 4.08Å; M416-L426 HydrophobicContact CE-CD2 4.41Å; M416-L426 HydrophobicContact CG-CD2 4.3Å; M416-L426 HydrophobicContact SD-CD2 4.03Å; I421-L426 HydrophobicContact CG2-CB 3.9Å; E422-L426 PolarHBondContact O-N 3.13Å; R423-L426 PolarHBondContact O-N 3.49Å; L426-R428 VanDerWaalsContact C-N 3.35Å; L426-R428 PolarHBondContact O-N 3.34Å; L426-F429 HydrophobicContact CD1-CD1 4.31Å; L426-F429 PolarHBondContact O-N 2.88Å; L426-L430 HydrophobicContact CD1-CD1 4.09Å; L426-L430 HydrophobicContact CD1-CG 4.12Å; L426-L430 HydrophobicContact CG-CD1 4.1Å; L426-L430 WeakPolarHBondContact O-CG 3.44Å; L426-L430 PolarHBondContact O-N 3.25Å; L426-I533 HydrophobicContact CB-CG2 4.2Å; L426-I533 HydrophobicContact CD1-CG2 4.18Å |
| 427 | A | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L375 C376 M407 R423 K424 L430 L431 | L375-A427 HydrophobicContact CB-CB 4.23Å; L375-A427 HydrophobicContact CD2-CB 4.06Å; L375-A427 HydrophobicContact CG-CB 4.12Å; C376-A427 HydrophobicContact CB-CB 4Å; M407-A427 HydrophobicContact SD-CB 4.38Å; R423-A427 PolarHBondContact O-N 3.09Å; K424-A427 PolarHBondContact O-N 2.84Å; A427-L430 PolarHBondContact O-N 2.99Å; A427-L431 WeakPolarHBondContact O-CB 3.37Å; A427-L431 WeakPolarHBondContact O-CD1 3.37Å; A427-L431 VanDerWaalsContact O-CG 3.3Å; A427-L431 WeakPolarHBondContact O-CG 3.42Å; A427-L431 PolarHBondContact O-N 3.15Å |
| 428 | R | 95.5 | Very high | 95.8 | Very high | 33 Ų | 33 | 32.8 Ų | 32.8 | 13% | 0.125 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -42.9 | 176.6 | -76.8 | -176.8 | 167.6 | 135.6 | 0.3 | 113.1 | E369 A372 K424 K425 L426 L431 K432 E530 | E369-R428 IonicContact OE1-NH2 3.87Å; E369-R428 IonicContact OE2-CZ 3.83Å; E369-R428 IonicContact OE2-NH2 3.73Å; E369-R428 PolarHBondContact OE2-NH2 3.42Å; A372-R428 HydrophobicContact CB-CG 3.73Å; K424-R428 PolarHBondContact O-N 2.74Å; K425-R428 PolarHBondContact O-N 2.58Å; L426-R428 VanDerWaalsContact C-N 3.35Å; L426-R428 PolarHBondContact O-N 3.34Å; R428-L431 PolarHBondContact O-N 3.41Å; R428-K432 WeakPolarHBondContact O-CB 3.34Å; R428-K432 WeakPolarHBondContact O-CG 3.39Å; R428-K432 PolarHBondContact O-N 3.47Å; R428-E530 WeakPolarHBondContact CB-O 3.38Å; R428-E530 VanDerWaalsContact CD-O 3.23Å; R428-E530 WeakPolarHBondContact CD-O 3.46Å |
| 429 | F | 96.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.7 | -53.8 | 174.7 | 169.5 | -96.3 | 0 | 0 | 0 | 111.1 | K425 L426 L431 K432 V433 V479 V525 M526 I533 | K425-F429 VanDerWaalsContact O-CB 3.29Å; K425-F429 WeakPolarHBondContact O-CB 3.38Å; K425-F429 PolarHBondContact O-N 3.29Å; L426-F429 HydrophobicContact CD1-CD1 4.31Å; L426-F429 PolarHBondContact O-N 2.88Å; F429-L431 VanDerWaalsContact C-N 3.33Å; F429-L431 PolarHBondContact O-N 3.48Å; F429-K432 PolarHBondContact O-N 3.19Å; F429-V433 HydrophobicContact CD1-CG2 4.47Å; F429-V433 HydrophobicContact CD2-CG2 4.16Å; F429-V433 HydrophobicContact CE1-CG2 4.05Å; F429-V433 HydrophobicContact CE2-CG2 3.7Å; F429-V433 HydrophobicContact CZ-CG2 3.62Å; F429-V433 WeakPolarHBondContact O-CB 3.24Å; F429-V433 VanDerWaalsContact O-CG2 3.29Å; F429-V433 WeakPolarHBondContact O-CG2 3.34Å; F429-V433 PolarHBondContact O-N 2.93Å; F429-V479 HydrophobicContact CE2-CG1 4.34Å; F429-V479 HydrophobicContact CZ-CG1 3.87Å; F429-V479 HydrophobicContact CZ-CG2 4.39Å; F429-V525 HydrophobicContact CD2-CG1 3.72Å; F429-V525 HydrophobicContact CE2-CG1 4.15Å; F429-M526 HydrophobicContact CD2-SD 3.74Å; F429-M526 HydrophobicContact CE2-CG 4.36Å; F429-M526 HydrophobicContact CE2-SD 3.57Å; F429-M526 VanDerWaalsContact CE2-SD 3.57Å; F429-I533 HydrophobicContact CB-CG2 3.62Å; F429-I533 HydrophobicContact CD1-CD1 4.3Å; F429-I533 HydrophobicContact CD1-CG2 4.45Å; F429-I533 HydrophobicContact CE1-CD1 4.43Å; F429-I533 HydrophobicContact CG-CD1 4.42Å; F429-I533 HydrophobicContact CG-CG2 3.97Å |
| 430 | L | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -39.3 | -178.3 | -68.4 | 171.1 | 0 | 0 | 0 | 112.3 | L403 A406 M407 L426 A427 K434 F482 | L403-L430 HydrophobicContact CD2-CB 3.94Å; A406-L430 HydrophobicContact CB-CD1 3.77Å; A406-L430 HydrophobicContact CB-CD2 3.84Å; A406-L430 HydrophobicContact CB-CG 4.43Å; M407-L430 HydrophobicContact CG-CD1 3.64Å; L426-L430 HydrophobicContact CD1-CD1 4.09Å; L426-L430 HydrophobicContact CD1-CG 4.12Å; L426-L430 HydrophobicContact CG-CD1 4.1Å; L426-L430 WeakPolarHBondContact O-CG 3.44Å; L426-L430 PolarHBondContact O-N 3.25Å; A427-L430 PolarHBondContact O-N 2.99Å; L430-K434 WeakPolarHBondContact O-CB 3.27Å; L430-K434 PolarHBondContact O-N 3.19Å; L430-F482 HydrophobicContact CD2-CE2 4.44Å; L430-F482 HydrophobicContact CD2-CZ 4.46Å |
| 431 | L | 95.3 | Very high | 95.5 | Very high | 17 Ų | 17 | 38 Ų | 38 | 9% | 0.089 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.5 | -47.9 | 175.3 | -73.7 | 165.4 | 0 | 0 | 0 | 111.5 | I367 D371 L375 L403 A427 R428 F429 V433 K434 E435 | I367-L431 HydrophobicContact CD1-CB 3.87Å; I367-L431 HydrophobicContact CG1-CB 4.02Å; I367-L431 HydrophobicContact CG2-CB 4Å; I367-L431 HydrophobicContact CG2-CD1 3.63Å; I367-L431 HydrophobicContact CG2-CG 4.41Å; D371-L431 HydrophobicContact CB-CD1 4.28Å; L375-L431 HydrophobicContact CD2-CD1 4.16Å; L375-L431 HydrophobicContact CD2-CD2 4.37Å; L375-L431 HydrophobicContact CD2-CG 3.96Å; L403-L431 HydrophobicContact CD1-CD2 3.71Å; A427-L431 WeakPolarHBondContact O-CB 3.37Å; A427-L431 WeakPolarHBondContact O-CD1 3.37Å; A427-L431 VanDerWaalsContact O-CG 3.3Å; A427-L431 WeakPolarHBondContact O-CG 3.42Å; A427-L431 PolarHBondContact O-N 3.15Å; R428-L431 PolarHBondContact O-N 3.41Å; F429-L431 VanDerWaalsContact C-N 3.33Å; F429-L431 PolarHBondContact O-N 3.48Å; L431-V433 PolarHBondContact O-N 3.01Å; L431-K434 PolarHBondContact O-N 2.94Å; L431-E435 WeakPolarHBondContact O-CG 3.28Å; L431-E435 PolarHBondContact O-N 3.03Å |
| 432 | K | 94.1 | Very high | 95.5 | Very high | 15 Ų | 15 | 38.3 Ų | 38.3 | 7% | 0.065 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 176.7 | -78.3 | -162.8 | 177 | -167.7 | 0 | 112.6 | I367 R428 F429 E435 A436 V525 E530 | I367-K432 HydrophobicContact CD1-CG 3.99Å; I367-K432 HydrophobicContact CG1-CB 4.49Å; I367-K432 HydrophobicContact CG1-CG 3.46Å; I367-K432 VanDerWaalsContact CG1-CG 3.46Å; R428-K432 WeakPolarHBondContact O-CB 3.34Å; R428-K432 WeakPolarHBondContact O-CG 3.39Å; R428-K432 PolarHBondContact O-N 3.47Å; F429-K432 PolarHBondContact O-N 3.19Å; K432-E435 PolarHBondContact O-N 2.79Å; K432-A436 WeakPolarHBondContact O-CB 3.25Å; K432-A436 PolarHBondContact O-N 3.13Å; K432-V525 HydrophobicContact CB-CG1 3.89Å; K432-V525 HydrophobicContact CB-CG2 4.28Å; K432-V525 HydrophobicContact CD-CG1 4.24Å; K432-E530 WeakPolarHBondContact CE-OE1 3.47Å; K432-E530 IonicContact NZ-OE1 3.28Å; K432-E530 PolarHBondContact NZ-OE1 3.05Å |
| 433 | V | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.1 | -47.7 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 109.9 | F429 L431 E435 A436 Y437 W445 F482 M486 V525 | F429-V433 HydrophobicContact CD1-CG2 4.47Å; F429-V433 HydrophobicContact CD2-CG2 4.16Å; F429-V433 HydrophobicContact CE1-CG2 4.05Å; F429-V433 HydrophobicContact CE2-CG2 3.7Å; F429-V433 HydrophobicContact CZ-CG2 3.62Å; F429-V433 WeakPolarHBondContact O-CB 3.24Å; F429-V433 VanDerWaalsContact O-CG2 3.29Å; F429-V433 WeakPolarHBondContact O-CG2 3.34Å; F429-V433 PolarHBondContact O-N 2.93Å; L431-V433 PolarHBondContact O-N 3.01Å; V433-E435 VanDerWaalsContact C-N 3.33Å; V433-E435 PolarHBondContact O-N 3.23Å; V433-A436 WeakPolarHBondContact O-CB 3.42Å; V433-A436 PolarHBondContact O-N 3.17Å; V433-A436 VanDerWaalsContact O-N 3.11Å; V433-Y437 HydrophobicContact CG1-CD2 4.35Å; V433-Y437 HydrophobicContact CG1-CE2 3.81Å; V433-Y437 WeakPolarHBondContact O-CD2 3.46Å; V433-Y437 PolarHBondContact O-N 2.89Å; V433-W445 HydrophobicContact CG1-CE3 4.47Å; V433-W445 HydrophobicContact CG1-CZ3 3.86Å; V433-F482 HydrophobicContact CG1-CB 4.33Å; V433-F482 VanDerWaalsContact CG1-O 3.27Å; V433-F482 WeakPolarHBondContact CG1-O 3.48Å; V433-M486 HydrophobicContact CB-SD 4.1Å; V433-M486 HydrophobicContact CG1-CG 4.28Å; V433-M486 HydrophobicContact CG1-SD 3.78Å; V433-M486 HydrophobicContact CG2-SD 3.94Å; V433-V525 HydrophobicContact CG2-CG1 4.36Å |
| 434 | K | 95.4 | Very high | 95.7 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 18% | 0.183 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.2 | -44 | 176.8 | 175.1 | -91.3 | 159.9 | -164.7 | 0 | 112.3 | I399 L403 L430 L431 A436 Y437 W445 | I399-K434 HydrophobicContact CG2-CD 4.42Å; I399-K434 HydrophobicContact CG2-CG 4.3Å; L403-K434 HydrophobicContact CD2-CB 4.23Å; L430-K434 WeakPolarHBondContact O-CB 3.27Å; L430-K434 PolarHBondContact O-N 3.19Å; L431-K434 PolarHBondContact O-N 2.94Å; K434-A436 VanDerWaalsContact C-N 3.28Å; K434-A436 PolarHBondContact O-N 2.76Å; K434-Y437 PolarHBondContact O-N 2.76Å; K434-W445 HydrophobicContact CB-CD2 3.85Å; K434-W445 HydrophobicContact CB-CE3 3.82Å; K434-W445 HydrophobicContact CB-CG 4.39Å; K434-W445 HydrophobicContact CB-CH2 4.4Å; K434-W445 HydrophobicContact CB-CZ2 4.45Å; K434-W445 HydrophobicContact CB-CZ3 4.1Å; K434-W445 HydrophobicContact CG-CB 4.45Å; K434-W445 HydrophobicContact CG-CD2 3.88Å; K434-W445 HydrophobicContact CG-CE3 4.33Å; K434-W445 HydrophobicContact CG-CG 3.91Å |
| 435 | E | 92.6 | Very high | 95.8 | Very high | 88 Ų | 88 | 30.5 Ų | 30.5 | 41% | 0.411 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -70.6 | -24.4 | 179.3 | -64.9 | -51.7 | 150.9 | 0 | 0 | 112.8 | I367 L431 K432 V433 Y437 | I367-E435 HydrophobicContact CD1-CG 4.16Å; L431-E435 WeakPolarHBondContact O-CG 3.28Å; L431-E435 PolarHBondContact O-N 3.03Å; K432-E435 PolarHBondContact O-N 2.79Å; V433-E435 VanDerWaalsContact C-N 3.33Å; V433-E435 PolarHBondContact O-N 3.23Å; E435-Y437 VanDerWaalsContact C-N 3.27Å; E435-Y437 PolarHBondContact O-N 2.85Å |
| 436 | A | 93 | Very high | 95.9 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.3 | -18.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T363 K432 V433 K434 M486 D487 | T363-A436 HydrophobicContact CG2-CB 4.04Å; K432-A436 WeakPolarHBondContact O-CB 3.25Å; K432-A436 PolarHBondContact O-N 3.13Å; V433-A436 WeakPolarHBondContact O-CB 3.42Å; V433-A436 PolarHBondContact O-N 3.17Å; V433-A436 VanDerWaalsContact O-N 3.11Å; K434-A436 VanDerWaalsContact C-N 3.28Å; K434-A436 PolarHBondContact O-N 2.76Å; A436-M486 HydrophobicContact CB-CB 4.29Å; A436-M486 HydrophobicContact CB-CG 4.18Å; A436-M486 HydrophobicContact CB-SD 3.81Å; A436-D487 WeakPolarHBondContact O-CA 3.47Å; A436-D487 PolarHBondContact O-N 2.79Å |
| 437 | Y | 95.4 | Very high | 95.9 | Very high | 18 Ų | 18 | 31.7 Ų | 31.7 | 7% | 0.071 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -78.8 | 132.9 | 174.4 | -80.9 | -85.6 | 0 | 0 | 0 | 111.6 | V433 K434 E435 W445 A448 F482 D485 M486 | V433-Y437 HydrophobicContact CG1-CD2 4.35Å; V433-Y437 HydrophobicContact CG1-CE2 3.81Å; V433-Y437 WeakPolarHBondContact O-CD2 3.46Å; V433-Y437 PolarHBondContact O-N 2.89Å; K434-Y437 PolarHBondContact O-N 2.76Å; E435-Y437 VanDerWaalsContact C-N 3.27Å; E435-Y437 PolarHBondContact O-N 2.85Å; Y437-W445 HydrophobicContact CD2-CB 4.47Å; Y437-W445 AromaticContact CD2-CE3 3.97Å; Y437-W445 HydrophobicContact CD2-CE3 3.97Å; Y437-W445 HydrophobicContact CE2-CE3 4.22Å; Y437-W445 HydrophobicContact CG-CB 4.33Å; Y437-A448 HydrophobicContact CE1-CB 3.68Å; Y437-A448 HydrophobicContact CE2-CB 3.73Å; Y437-A448 WeakPolarHBondContact OH-CB 3.28Å; Y437-F482 VanDerWaalsContact CE2-O 3.22Å; Y437-F482 WeakPolarHBondContact CE2-O 3.49Å; Y437-F482 PolarHBondContact OH-O 2.74Å; Y437-D485 HydrophobicContact CE1-CB 3.61Å; Y437-D485 VanDerWaalsContact CE1-O 3.25Å; Y437-D485 WeakPolarHBondContact CE1-O 3.2Å; Y437-D485 PolarHBondContact OH-N 3.4Å; Y437-M486 HydrophobicContact CD2-CG 4.15Å; Y437-M486 HydrophobicContact CE2-CG 3.5Å |
| 438 | R | 93.6 | Very high | 96 | Very high | 84 Ų | 84 | 31.7 Ų | 31.7 | 32% | 0.317 | 15% | 0.15 | S | C | . | . | trans | -80.4 | 156.8 | 175.8 | -63.2 | -172.2 | 176.2 | -90.1 | -9.9 | 111.3 | I362 V440 N444 D487 H488 R489 | I362-R438 HydrophobicContact CD1-CG 4.09Å; R438-V440 VanDerWaalsContact C-N 3.26Å; R438-V440 HydrophobicContact CB-CG1 4.22Å; R438-V440 PolarHBondContact O-N 2.78Å; R438-N444 WeakPolarHBondContact O-CB 3.42Å; R438-D487 IonicContact CZ-OD1 2.61Å; R438-D487 IonicContact NE-OD1 3.09Å; R438-D487 PolarHBondContact NE-OD1 3.41Å; R438-D487 IonicContact NH2-OD1 2.9Å; R438-D487 PolarHBondContact NH2-OD1 2.89Å; R438-H488 WeakPolarHBondContact CB-O 3.41Å; R438-H488 WeakPolarHBondContact CD-O 3.3Å; R438-R489 VanDerWaalsContact NH2-NH2 3.17Å | ||
| 439 | N | 93.6 | Very high | 96.1 | Very high | 164 Ų | 164 | 30.1 Ų | 30.1 | 88% | 0.877 | 14% | 0.144 | S | C | * | . | trans | -80.5 | 74.9 | 170.6 | -170.5 | 28.3 | 0 | 0 | 0 | 110.6 | ||||
| 440 | V | 96.1 | Very high | 96.2 | Very high | 18 Ų | 18 | 30.2 Ų | 30.2 | 11% | 0.109 | 14% | 0.144 | C | C | . | . | trans | -109.8 | 153.4 | 170.9 | -64 | 0 | 0 | 0 | 0 | 109.9 | R438 Y442 H443 N444 E617 | R438-V440 VanDerWaalsContact C-N 3.26Å; R438-V440 HydrophobicContact CB-CG1 4.22Å; R438-V440 PolarHBondContact O-N 2.78Å; V440-Y442 PolarHBondContact O-N 2.88Å; V440-H443 VanDerWaalsContact CG2-C 3.48Å; V440-H443 HydrophobicContact CG2-CB 4.06Å; V440-H443 WeakPolarHBondContact CG2-O 3.31Å; V440-N444 WeakPolarHBondContact O-CB 3.41Å; V440-N444 PolarHBondContact O-ND2 2.95Å; V440-E617 WeakPolarHBondContact CB-OE1 3.35Å; V440-E617 VanDerWaalsContact CG2-OE1 3.31Å; V440-E617 WeakPolarHBondContact CG2-OE1 3.28Å | ||
| 441 | P | 96.9 | Very high | 96.3 | Very high | 42 Ų | 42 | 30.2 Ų | 30.2 | 27% | 0.273 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -54 | -43 | -170.3 | -24.4 | 25.7 | 0 | 0 | 0 | 115.9 | N444 R613 E616 E617 | P441-N444 PolarHBondContact O-ND2 3.34Å; P441-R613 HydrophobicContact CB-CB 4.3Å; P441-R613 VanDerWaalsContact O-CD 3.32Å; P441-R613 WeakPolarHBondContact O-CD 3.23Å; P441-E616 HydrophobicContact CB-CB 4.13Å; P441-E616 HydrophobicContact CB-CG 4.15Å; P441-E616 HydrophobicContact CG-CB 4.24Å; P441-E616 HydrophobicContact CG-CG 3.84Å; P441-E617 HydrophobicContact CB-CG 3.85Å; P441-E617 HydrophobicContact CG-CG 3.68Å |
| 442 | Y | 97.8 | Very high | 96.5 | Very high | 14 Ų | 14 | 29.4 Ų | 29.4 | 6% | 0.055 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -110.8 | -58.6 | -177.8 | -173.6 | -111.1 | 0 | 0 | 0 | 113.4 | V440 N444 H447 A610 R613 V614 E617 | V440-Y442 PolarHBondContact O-N 2.88Å; Y442-N444 PolarHBondContact O-N 2.79Å; Y442-N444 PolarHBondContact O-ND2 3.28Å; Y442-H447 AromaticContact CE1-CE1 3.73Å; Y442-H447 AromaticContact CE1-ND1 3.57Å; Y442-H447 AromaticContact CZ-CE1 3.79Å; Y442-H447 AromaticContact CZ-ND1 3.35Å; Y442-H447 WeakPolarHBondContact O-CB 3.45Å; Y442-H447 PolarHBondContact OH-CE1 3.45Å; Y442-H447 PolarHBondContact OH-ND1 2.68Å; Y442-A610 HydrophobicContact CE2-CB 4Å; Y442-R613 HydrophobicContact CD2-CB 4.22Å; Y442-V614 HydrophobicContact CD1-CG2 3.57Å; Y442-V614 HydrophobicContact CD2-CG2 3.65Å; Y442-V614 HydrophobicContact CE1-CG2 3.82Å; Y442-V614 HydrophobicContact CE2-CG2 3.92Å; Y442-V614 HydrophobicContact CG-CG2 3.47Å; Y442-V614 VanDerWaalsContact CG-CG2 3.47Å; Y442-E617 WeakPolarHBondContact CA-OE1 3.24Å; Y442-E617 PolarHBondContact N-OE1 2.85Å |
| 443 | H | 98 | Very high | 96.7 | Very high | 35 Ų | 35 | 28.7 Ų | 28.7 | 16% | 0.162 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -79.2 | 59.2 | -171.7 | -56.9 | 94.3 | 0 | 0 | 0 | 112.2 | V440 D485 H488 E617 | V440-H443 VanDerWaalsContact CG2-C 3.48Å; V440-H443 HydrophobicContact CG2-CB 4.06Å; V440-H443 WeakPolarHBondContact CG2-O 3.31Å; H443-D485 IonicContact CD2-OD2 2.65Å; H443-D485 PolarHBondContact CD2-OD2 2.93Å; H443-D485 VanDerWaalsContact CD2-OD2 3.3Å; H443-H488 HydrophobicContact CB-CB 3.85Å; H443-H488 VanDerWaalsContact CB-ND1 3.32Å; H443-H488 WeakPolarHBondContact CB-ND1 3.16Å; H443-H488 AromaticContact CE1-CE1 3.84Å; H443-H488 AromaticContact CG-CE1 3.62Å; H443-H488 AromaticContact CG-CG 3.93Å; H443-H488 AromaticContact CG-ND1 3.51Å; H443-H488 AromaticContact ND1-CE1 3.4Å; H443-H488 PolarHBondContact ND1-CE1 2.86Å; H443-H488 AromaticContact ND1-ND1 3.61Å; H443-E617 IonicContact CE1-OE2 3.13Å; H443-E617 PolarHBondContact CE1-OE2 3.24Å; H443-E617 IonicContact CG-OE2 3.8Å; H443-E617 PolarHBondContact N-OE1 3.29Å; H443-E617 IonicContact ND1-OE1 3.96Å; H443-E617 IonicContact ND1-OE2 2.76Å; H443-E617 PolarHBondContact ND1-OE2 2.83Å |
| 444 | N | 96.9 | Very high | 96.8 | Very high | 21 Ų | 21 | 28.7 Ų | 28.7 | 11% | 0.112 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -115.8 | -178 | -179.6 | 60.9 | 52.2 | 0 | 0 | 0 | 111.3 | R438 V440 P441 Y442 Y446 H447 A448 | R438-N444 WeakPolarHBondContact O-CB 3.42Å; V440-N444 WeakPolarHBondContact O-CB 3.41Å; V440-N444 PolarHBondContact O-ND2 2.95Å; P441-N444 PolarHBondContact O-ND2 3.34Å; Y442-N444 PolarHBondContact O-N 2.79Å; Y442-N444 PolarHBondContact O-ND2 3.28Å; N444-Y446 PolarHBondContact O-N 3.1Å; N444-Y446 VanDerWaalsContact O-N 3.1Å; N444-Y446 WeakPolarHBondContact OD1-CB 3.45Å; N444-Y446 PolarHBondContact OD1-N 2.92Å; N444-H447 WeakPolarHBondContact O-CB 3.26Å; N444-H447 PolarHBondContact O-N 3.35Å; N444-A448 PolarHBondContact O-N 2.88Å |
| 445 | W | 97.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 26.7 Ų | 26.7 | 5% | 0.045 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -51.7 | -35.8 | -179.8 | 168.3 | -108 | 0 | 0 | 0 | 113.9 | T402 L403 V433 K434 Y437 A448 F449 F482 | T402-W445 PolarHBondContact OG1-NE1 3.12Å; L403-W445 HydrophobicContact CD2-CH2 4.2Å; L403-W445 HydrophobicContact CD2-CZ2 3.83Å; L403-W445 HydrophobicContact CG-CZ2 4.45Å; V433-W445 HydrophobicContact CG1-CE3 4.47Å; V433-W445 HydrophobicContact CG1-CZ3 3.86Å; K434-W445 HydrophobicContact CB-CD2 3.85Å; K434-W445 HydrophobicContact CB-CE3 3.82Å; K434-W445 HydrophobicContact CB-CG 4.39Å; K434-W445 HydrophobicContact CB-CH2 4.4Å; K434-W445 HydrophobicContact CB-CZ2 4.45Å; K434-W445 HydrophobicContact CB-CZ3 4.1Å; K434-W445 HydrophobicContact CG-CB 4.45Å; K434-W445 HydrophobicContact CG-CD2 3.88Å; K434-W445 HydrophobicContact CG-CE3 4.33Å; K434-W445 HydrophobicContact CG-CG 3.91Å; Y437-W445 HydrophobicContact CD2-CB 4.47Å; Y437-W445 AromaticContact CD2-CE3 3.97Å; Y437-W445 HydrophobicContact CD2-CE3 3.97Å; Y437-W445 HydrophobicContact CE2-CE3 4.22Å; Y437-W445 HydrophobicContact CG-CB 4.33Å; W445-A448 PolarHBondContact O-N 3.23Å; W445-F449 HydrophobicContact CZ2-CB 4.4Å; W445-F449 HydrophobicContact CZ2-CD2 4.1Å; W445-F449 VanDerWaalsContact O-CB 3.31Å; W445-F449 WeakPolarHBondContact O-CB 3.47Å; W445-F449 PolarHBondContact O-N 3.34Å; W445-F482 AromaticContact CH2-CD1 3.92Å; W445-F482 HydrophobicContact CH2-CD1 3.92Å; W445-F482 HydrophobicContact CH2-CE1 4.07Å; W445-F482 HydrophobicContact CZ3-CD1 4.08Å |
| 446 | Y | 98.2 | Very high | 97.2 | Very high | 60 Ų | 60 | 22.5 Ų | 22.5 | 24% | 0.235 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.9 | -34.7 | -179.5 | -74 | -75 | 0 | 0 | 0 | 112.9 | H395 M397 I399 T402 N444 S450 | H395-Y446 WeakPolarHBondContact ND1-CB 3.43Å; M397-Y446 WeakPolarHBondContact O-CE1 3.49Å; M397-Y446 PolarHBondContact O-OH 2.83Å; I399-Y446 HydrophobicContact CG1-CE2 4.37Å; T402-Y446 HydrophobicContact CG2-CD1 4.42Å; T402-Y446 HydrophobicContact CG2-CE1 3.97Å; N444-Y446 PolarHBondContact O-N 3.1Å; N444-Y446 VanDerWaalsContact O-N 3.1Å; N444-Y446 WeakPolarHBondContact OD1-CB 3.45Å; N444-Y446 PolarHBondContact OD1-N 2.92Å; Y446-S450 WeakPolarHBondContact O-CB 3.41Å; Y446-S450 PolarHBondContact O-N 3.27Å |
| 447 | H | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.8 | -49.8 | 174.4 | 169.5 | 69 | 0 | 0 | 0 | 110.5 | Y442 N444 F449 S450 A451 H484 D485 D596 | Y442-H447 AromaticContact CE1-CE1 3.73Å; Y442-H447 AromaticContact CE1-ND1 3.57Å; Y442-H447 AromaticContact CZ-CE1 3.79Å; Y442-H447 AromaticContact CZ-ND1 3.35Å; Y442-H447 WeakPolarHBondContact O-CB 3.45Å; Y442-H447 PolarHBondContact OH-CE1 3.45Å; Y442-H447 PolarHBondContact OH-ND1 2.68Å; N444-H447 WeakPolarHBondContact O-CB 3.26Å; N444-H447 PolarHBondContact O-N 3.35Å; H447-F449 VanDerWaalsContact C-N 3.34Å; H447-F449 PolarHBondContact O-N 2.77Å; H447-S450 WeakPolarHBondContact O-CA 3.06Å; H447-S450 VanDerWaalsContact O-CB 3.3Å; H447-S450 WeakPolarHBondContact O-CB 3.35Å; H447-S450 PolarHBondContact O-N 3.32Å; H447-A451 PolarHBondContact O-N 3.29Å; H447-H484 AromaticContact CD2-CE1 3.84Å; H447-H484 AromaticContact CD2-NE2 3.89Å; H447-H484 AromaticContact NE2-CE1 3.51Å; H447-H484 AromaticContact NE2-NE2 3.23Å; H447-H484 PolarHBondContact NE2-NE2 3.36Å; H447-D485 IonicContact CD2-OD2 3.81Å; H447-D485 PolarHBondContact CD2-OD2 3.43Å; H447-D485 IonicContact NE2-OD2 3.77Å; H447-D485 PolarHBondContact NE2-OD2 2.93Å; H447-D596 PolarHBondContact CE1-O 2.99Å; H447-D596 IonicContact CE1-OD1 3.89Å; H447-D596 PolarHBondContact CE1-OD1 2.97Å; H447-D596 VanDerWaalsContact CE1-OD1 3.22Å; H447-D596 IonicContact NE2-OD1 3.43Å; H447-D596 PolarHBondContact NE2-OD1 3.34Å |
| 448 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.3 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y437 N444 W445 S450 A451 A452 | Y437-A448 HydrophobicContact CE1-CB 3.68Å; Y437-A448 HydrophobicContact CE2-CB 3.73Å; Y437-A448 WeakPolarHBondContact OH-CB 3.28Å; N444-A448 PolarHBondContact O-N 2.88Å; W445-A448 PolarHBondContact O-N 3.23Å; A448-S450 VanDerWaalsContact C-N 3.32Å; A448-S450 PolarHBondContact O-N 3.48Å; A448-A451 PolarHBondContact O-N 2.93Å; A448-A452 WeakPolarHBondContact O-CB 3.43Å; A448-A452 PolarHBondContact O-N 3.3Å |
| 449 | F | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.6 | -35.4 | 174.3 | -177.4 | -97.1 | 0 | 0 | 0 | 111.9 | V394 M397 T402 T405 A406 M409 W445 H447 H453 F482 | V394-F449 HydrophobicContact CB-CD1 3.58Å; V394-F449 HydrophobicContact CB-CE1 3.7Å; V394-F449 HydrophobicContact CG1-CD1 3.68Å; V394-F449 HydrophobicContact CG1-CE1 3.47Å; V394-F449 VanDerWaalsContact CG1-CE1 3.47Å; V394-F449 HydrophobicContact CG2-CD1 3.86Å; V394-F449 HydrophobicContact CG2-CE1 4.47Å; M397-F449 HydrophobicContact SD-CE1 4.3Å; M397-F449 HydrophobicContact SD-CZ 4.43Å; T402-F449 HydrophobicContact CG2-CD1 4.02Å; T402-F449 HydrophobicContact CG2-CE1 4.04Å; T402-F449 HydrophobicContact CG2-CG 4.37Å; T402-F449 HydrophobicContact CG2-CZ 4.44Å; T402-F449 WeakPolarHBondContact O-CE2 3.49Å; T405-F449 HydrophobicContact CG2-CZ 4.1Å; A406-F449 HydrophobicContact CB-CE2 4.13Å; M409-F449 HydrophobicContact CE-CE2 3.88Å; M409-F449 HydrophobicContact CE-CZ 3.78Å; W445-F449 HydrophobicContact CZ2-CB 4.4Å; W445-F449 HydrophobicContact CZ2-CD2 4.1Å; W445-F449 VanDerWaalsContact O-CB 3.31Å; W445-F449 WeakPolarHBondContact O-CB 3.47Å; W445-F449 PolarHBondContact O-N 3.34Å; H447-F449 VanDerWaalsContact C-N 3.34Å; H447-F449 PolarHBondContact O-N 2.77Å; F449-H453 WeakPolarHBondContact O-CB 3.16Å; F449-H453 PolarHBondContact O-N 2.89Å; F449-F482 AromaticContact CD2-CE1 3.89Å; F449-F482 HydrophobicContact CD2-CE1 3.89Å |
| 450 | S | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.007 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 174.8 | -159.5 | 0 | 0 | 0 | 0 | 111.3 | Y446 H447 A448 H453 F454 D599 K602 | Y446-S450 WeakPolarHBondContact O-CB 3.41Å; Y446-S450 PolarHBondContact O-N 3.27Å; H447-S450 WeakPolarHBondContact O-CA 3.06Å; H447-S450 VanDerWaalsContact O-CB 3.3Å; H447-S450 WeakPolarHBondContact O-CB 3.35Å; H447-S450 PolarHBondContact O-N 3.32Å; A448-S450 VanDerWaalsContact C-N 3.32Å; A448-S450 PolarHBondContact O-N 3.48Å; S450-H453 PolarHBondContact O-N 2.93Å; S450-F454 WeakPolarHBondContact O-CB 3.41Å; S450-F454 PolarHBondContact O-N 3.09Å; S450-D599 PolarHBondContact OG-OD1 3.32Å; S450-K602 VanDerWaalsContact OG-CE 3.24Å; S450-K602 WeakPolarHBondContact OG-CE 3.2Å |
| 451 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.5 | -47.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | H447 A448 H453 F454 F455 C481 C595 | H447-A451 PolarHBondContact O-N 3.29Å; A448-A451 PolarHBondContact O-N 2.93Å; A451-H453 PolarHBondContact O-N 2.98Å; A451-F454 PolarHBondContact O-N 3.25Å; A451-F455 PolarHBondContact O-N 3.19Å; A451-C481 HydrophobicContact CB-CB 4.47Å; A451-C595 WeakPolarHBondContact CA-O 3.47Å; A451-C595 HydrophobicContact CB-CB 4.21Å |
| 452 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.1 | -40.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A448 F455 F456 L478 C481 F482 | A448-A452 WeakPolarHBondContact O-CB 3.43Å; A448-A452 PolarHBondContact O-N 3.3Å; A452-F455 PolarHBondContact O-N 3.33Å; A452-F456 WeakPolarHBondContact O-CB 3.4Å; A452-F456 PolarHBondContact O-N 3.11Å; A452-L478 HydrophobicContact CB-CD1 3.98Å; A452-L478 WeakPolarHBondContact O-CD1 3.4Å; A452-C481 HydrophobicContact CB-CB 3.87Å; A452-F482 HydrophobicContact CB-CD1 3.63Å; A452-F482 HydrophobicContact CB-CD2 3.87Å; A452-F482 HydrophobicContact CB-CE1 3.45Å; A452-F482 VanDerWaalsContact CB-CE1 3.45Å; A452-F482 HydrophobicContact CB-CE2 3.71Å; A452-F482 HydrophobicContact CB-CG 3.83Å; A452-F482 HydrophobicContact CB-CZ 3.49Å; A452-F482 VanDerWaalsContact CB-CZ 3.49Å |
| 453 | H | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 172.5 | 167.8 | -96.8 | 0 | 0 | 0 | 111.4 | I387 V394 M409 F449 S450 A451 F455 F456 V457 | I387-H453 PolarHBondContact O-CE1 3.32Å; I387-H453 PolarHBondContact O-NE2 3.36Å; V394-H453 HydrophobicContact CG1-CB 4.05Å; M409-H453 HydrophobicContact CE-CB 3.88Å; F449-H453 WeakPolarHBondContact O-CB 3.16Å; F449-H453 PolarHBondContact O-N 2.89Å; S450-H453 PolarHBondContact O-N 2.93Å; A451-H453 PolarHBondContact O-N 2.98Å; H453-F455 PolarHBondContact O-N 3.04Å; H453-F456 WeakPolarHBondContact O-CB 3.46Å; H453-F456 PolarHBondContact O-N 3.08Å; H453-V457 WeakPolarHBondContact O-CG2 3.42Å; H453-V457 PolarHBondContact O-N 2.89Å |
| 454 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | -179.9 | -160.1 | -91.6 | 0 | 0 | 0 | 111.2 | F390 S450 A451 F456 V457 M458 V594 S598 V601 F659 M669 V672 | F390-F454 HydrophobicContact CB-CE2 4.1Å; F390-F454 HydrophobicContact CD1-CD2 4.06Å; F390-F454 HydrophobicContact CD1-CE1 4.07Å; F390-F454 AromaticContact CD1-CE2 3.53Å; F390-F454 HydrophobicContact CD1-CE2 3.53Å; F390-F454 AromaticContact CD1-CZ 3.53Å; F390-F454 HydrophobicContact CD1-CZ 3.53Å; F390-F454 HydrophobicContact CE1-CE1 4.17Å; F390-F454 HydrophobicContact CE1-CE2 4.41Å; F390-F454 HydrophobicContact CE1-CZ 4.06Å; F390-F454 HydrophobicContact CG-CE2 4.25Å; F390-F454 HydrophobicContact CG-CZ 4.35Å; S450-F454 WeakPolarHBondContact O-CB 3.41Å; S450-F454 PolarHBondContact O-N 3.09Å; A451-F454 PolarHBondContact O-N 3.25Å; F454-F456 VanDerWaalsContact C-N 3.33Å; F454-F456 PolarHBondContact O-N 2.63Å; F454-V457 PolarHBondContact O-N 3.21Å; F454-M458 HydrophobicContact CD1-CG 4.03Å; F454-M458 HydrophobicContact CD1-SD 3.86Å; F454-M458 HydrophobicContact CE1-CG 4.02Å; F454-M458 HydrophobicContact CE1-SD 3.83Å; F454-M458 WeakPolarHBondContact O-CG 3.44Å; F454-M458 PolarHBondContact O-N 2.94Å; F454-V594 HydrophobicContact CD1-CG1 4.22Å; F454-V594 HydrophobicContact CE1-CG1 3.64Å; F454-S598 VanDerWaalsContact CG-CB 3.44Å; F454-V601 HydrophobicContact CE2-CG2 4.42Å; F454-V601 HydrophobicContact CZ-CG2 4.41Å; F454-F659 HydrophobicContact CE1-CE1 4.29Å; F454-F659 HydrophobicContact CZ-CE1 4.03Å; F454-M669 HydrophobicContact CE1-CE 3.8Å; F454-M669 HydrophobicContact CZ-CE 3.87Å; F454-V672 HydrophobicContact CZ-CG1 4.09Å |
| 455 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61 | -41.7 | 175 | -173.6 | -118.1 | 0 | 0 | 0 | 112.3 | A451 A452 H453 V457 M458 M459 I465 I477 L478 L591 C595 | A451-F455 PolarHBondContact O-N 3.19Å; A452-F455 PolarHBondContact O-N 3.33Å; H453-F455 PolarHBondContact O-N 3.04Å; F455-V457 PolarHBondContact O-N 2.68Å; F455-M458 WeakPolarHBondContact O-CB 3.3Å; F455-M458 PolarHBondContact O-N 3.03Å; F455-M459 HydrophobicContact CD1-CE 3.63Å; F455-M459 HydrophobicContact CD1-CG 4.46Å; F455-M459 HydrophobicContact CD1-SD 4.13Å; F455-M459 HydrophobicContact CE1-CE 3.57Å; F455-M459 HydrophobicContact CE1-CG 4.01Å; F455-M459 HydrophobicContact CE1-SD 3.47Å; F455-M459 WeakPolarHBondContact CE1-SD 3.27Å; F455-M459 HydrophobicContact CE2-CG 4.27Å; F455-M459 HydrophobicContact CZ-CE 4.4Å; F455-M459 HydrophobicContact CZ-CG 3.9Å; F455-M459 HydrophobicContact CZ-SD 3.81Å; F455-M459 WeakPolarHBondContact O-CG 3.4Å; F455-M459 PolarHBondContact O-N 2.53Å; F455-I465 HydrophobicContact CE2-CG2 4.4Å; F455-I477 HydrophobicContact CD1-CB 4.4Å; F455-I477 HydrophobicContact CD1-CG2 3.9Å; F455-I477 HydrophobicContact CD2-CG2 4.06Å; F455-I477 HydrophobicContact CE1-CB 3.64Å; F455-I477 HydrophobicContact CE1-CG2 3.49Å; F455-I477 VanDerWaalsContact CE1-CG2 3.49Å; F455-I477 HydrophobicContact CE2-CB 4.45Å; F455-I477 HydrophobicContact CE2-CG2 3.68Å; F455-I477 HydrophobicContact CG-CG2 4.18Å; F455-I477 HydrophobicContact CZ-CB 3.68Å; F455-I477 HydrophobicContact CZ-CD1 4.01Å; F455-I477 HydrophobicContact CZ-CG1 4.47Å; F455-I477 HydrophobicContact CZ-CG2 3.38Å; F455-L478 HydrophobicContact CD1-CB 4.02Å; F455-L478 HydrophobicContact CD1-CD1 4.12Å; F455-L478 HydrophobicContact CE1-CB 4.23Å; F455-L591 HydrophobicContact CE2-CD1 4.28Å; F455-C595 VanDerWaalsContact CB-SG 3.6Å |
| 456 | F | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.2 | -46.5 | 173.2 | 168.1 | -98.9 | 0 | 0 | 0 | 111.9 | I383 I388 M409 D412 M413 A452 H453 F454 M458 M459 K460 | I383-F456 HydrophobicContact CD1-CE1 3.69Å; I383-F456 HydrophobicContact CD1-CE2 4.08Å; I383-F456 HydrophobicContact CD1-CZ 3.39Å; I383-F456 HydrophobicContact CG2-CE1 4.46Å; I388-F456 HydrophobicContact CG1-CE1 4.33Å; M409-F456 HydrophobicContact CB-CD2 3.75Å; M409-F456 HydrophobicContact CB-CE2 4.11Å; M409-F456 HydrophobicContact CB-CG 4.16Å; M409-F456 HydrophobicContact CE-CD1 4.49Å; M409-F456 HydrophobicContact CG-CB 4.13Å; M409-F456 HydrophobicContact CG-CD1 3.97Å; M409-F456 HydrophobicContact CG-CD2 3.73Å; M409-F456 HydrophobicContact CG-CE1 4.34Å; M409-F456 HydrophobicContact CG-CE2 4.12Å; M409-F456 HydrophobicContact CG-CG 3.65Å; M409-F456 HydrophobicContact CG-CZ 4.42Å; M409-F456 HydrophobicContact SD-CB 3.93Å; M409-F456 HydrophobicContact SD-CD1 4.5Å; M409-F456 HydrophobicContact SD-CG 4.1Å; D412-F456 HydrophobicContact CB-CE2 4.44Å; M413-F456 HydrophobicContact CG-CD2 3.76Å; M413-F456 HydrophobicContact CG-CE2 3.77Å; M413-F456 HydrophobicContact SD-CD2 3.98Å; M413-F456 HydrophobicContact SD-CE2 3.82Å; A452-F456 WeakPolarHBondContact O-CB 3.4Å; A452-F456 PolarHBondContact O-N 3.11Å; H453-F456 WeakPolarHBondContact O-CB 3.46Å; H453-F456 PolarHBondContact O-N 3.08Å; F454-F456 VanDerWaalsContact C-N 3.33Å; F454-F456 PolarHBondContact O-N 2.63Å; F456-M458 VanDerWaalsContact C-N 3.33Å; F456-M458 PolarHBondContact O-N 2.91Å; F456-M459 HydrophobicContact CB-CE 4.49Å; F456-M459 PolarHBondContact O-N 3.06Å; F456-K460 HydrophobicContact CD1-CG 4.42Å; F456-K460 HydrophobicContact CD2-CG 4.3Å; F456-K460 HydrophobicContact CE1-CG 3.93Å; F456-K460 HydrophobicContact CE2-CD 3.95Å; F456-K460 HydrophobicContact CE2-CG 3.8Å; F456-K460 HydrophobicContact CZ-CD 3.89Å; F456-K460 HydrophobicContact CZ-CG 3.59Å; F456-K460 WeakPolarHBondContact O-CG 3.29Å; F456-K460 PolarHBondContact O-N 2.73Å |
| 457 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | 176.6 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | F390 H453 F454 F455 M459 K460 Q461 | F390-V457 HydrophobicContact CD1-CB 4.15Å; F390-V457 HydrophobicContact CD1-CG1 3.6Å; F390-V457 HydrophobicContact CD2-CG1 4.31Å; F390-V457 HydrophobicContact CE1-CB 4.01Å; F390-V457 HydrophobicContact CE1-CG1 3.54Å; F390-V457 HydrophobicContact CE2-CG1 4.26Å; F390-V457 HydrophobicContact CG-CG1 4Å; F390-V457 HydrophobicContact CZ-CG1 3.89Å; H453-V457 WeakPolarHBondContact O-CG2 3.42Å; H453-V457 PolarHBondContact O-N 2.89Å; F454-V457 PolarHBondContact O-N 3.21Å; F455-V457 PolarHBondContact O-N 2.68Å; V457-M459 PolarHBondContact O-N 2.93Å; V457-K460 PolarHBondContact O-N 3.33Å; V457-K460 VanDerWaalsContact O-N 3.16Å; V457-Q461 HydrophobicContact CG1-CG 4.05Å; V457-Q461 WeakPolarHBondContact O-CB 3.25Å; V457-Q461 WeakPolarHBondContact O-CG 3.41Å; V457-Q461 PolarHBondContact O-N 3.26Å |
| 458 | M | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.2 | -48.7 | 173.8 | -68.3 | -175.4 | 77.1 | 0 | 0 | 111 | F390 F454 F455 F456 K460 Q461 I462 I465 L591 V594 I662 M669 | F390-M458 HydrophobicContact CE1-CB 4.41Å; F390-M458 HydrophobicContact CE1-CG 3.6Å; F390-M458 HydrophobicContact CZ-CG 4.12Å; F454-M458 HydrophobicContact CD1-CG 4.03Å; F454-M458 HydrophobicContact CD1-SD 3.86Å; F454-M458 HydrophobicContact CE1-CG 4.02Å; F454-M458 HydrophobicContact CE1-SD 3.83Å; F454-M458 WeakPolarHBondContact O-CG 3.44Å; F454-M458 PolarHBondContact O-N 2.94Å; F455-M458 WeakPolarHBondContact O-CB 3.3Å; F455-M458 PolarHBondContact O-N 3.03Å; F456-M458 VanDerWaalsContact C-N 3.33Å; F456-M458 PolarHBondContact O-N 2.91Å; M458-K460 VanDerWaalsContact C-N 3.27Å; M458-K460 PolarHBondContact O-N 3.09Å; M458-Q461 PolarHBondContact O-N 3.2Å; M458-I462 HydrophobicContact CB-CD1 4.24Å; M458-I462 HydrophobicContact CE-CD1 4.06Å; M458-I462 HydrophobicContact CG-CD1 4.41Å; M458-I462 WeakPolarHBondContact O-CA 3.37Å; M458-I462 WeakPolarHBondContact O-CB 3.26Å; M458-I462 WeakPolarHBondContact O-CG1 3.34Å; M458-I462 PolarHBondContact O-N 2.99Å; M458-I465 HydrophobicContact CB-CD1 3.74Å; M458-I465 HydrophobicContact CE-CD1 4.01Å; M458-L591 HydrophobicContact CE-CD2 3.37Å; M458-L591 HydrophobicContact SD-CD2 4.08Å; M458-V594 HydrophobicContact CE-CG1 4.34Å; M458-V594 HydrophobicContact SD-CG1 3.97Å; M458-I662 HydrophobicContact CE-CD1 4.46Å; M458-I662 HydrophobicContact CE-CG1 4.04Å; M458-M669 HydrophobicContact CE-CE 4.2Å; M458-M669 HydrophobicContact CE-CG 4.46Å; M458-M669 HydrophobicContact CE-SD 4.11Å; M458-M669 HydrophobicContact CG-SD 4.38Å |
| 459 | M | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.6 | -33 | 177.5 | -70.2 | -171.2 | -71.2 | 0 | 0 | 113.4 | M413 F415 F455 F456 V457 I465 R466 C474 L478 | M413-M459 HydrophobicContact CE-CB 3.7Å; M413-M459 HydrophobicContact CE-CE 4.19Å; M413-M459 HydrophobicContact CE-CG 4.35Å; M413-M459 HydrophobicContact CE-SD 3.8Å; M413-M459 HydrophobicContact CG-CE 4.25Å; M413-M459 HydrophobicContact SD-CB 4.23Å; M413-M459 HydrophobicContact SD-CE 4.46Å; F415-M459 HydrophobicContact CE2-CE 4.32Å; F415-M459 HydrophobicContact CZ-CE 4.18Å; F415-M459 HydrophobicContact CZ-SD 4Å; F455-M459 HydrophobicContact CD1-CE 3.63Å; F455-M459 HydrophobicContact CD1-CG 4.46Å; F455-M459 HydrophobicContact CD1-SD 4.13Å; F455-M459 HydrophobicContact CE1-CE 3.57Å; F455-M459 HydrophobicContact CE1-CG 4.01Å; F455-M459 HydrophobicContact CE1-SD 3.47Å; F455-M459 WeakPolarHBondContact CE1-SD 3.27Å; F455-M459 HydrophobicContact CE2-CG 4.27Å; F455-M459 HydrophobicContact CZ-CE 4.4Å; F455-M459 HydrophobicContact CZ-CG 3.9Å; F455-M459 HydrophobicContact CZ-SD 3.81Å; F455-M459 WeakPolarHBondContact O-CG 3.4Å; F455-M459 PolarHBondContact O-N 2.53Å; F456-M459 HydrophobicContact CB-CE 4.49Å; F456-M459 PolarHBondContact O-N 3.06Å; V457-M459 PolarHBondContact O-N 2.93Å; M459-I465 HydrophobicContact CG-CG2 4.09Å; M459-R466 HydrophobicContact CB-CG 4.36Å; M459-R466 WeakPolarHBondContact O-CD 3.17Å; M459-R466 PolarHBondContact O-NE 3.03Å; M459-C474 HydrophobicContact SD-CB 3.8Å; M459-L478 HydrophobicContact CE-CD1 4.5Å; M459-L478 HydrophobicContact CE-CD2 4.47Å |
| 460 | K | 95.5 | Very high | 96 | Very high | 69 Ų | 69 | 31.6 Ų | 31.6 | 30% | 0.3 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -75.3 | -40.6 | 178.1 | -69.3 | -65 | -65.2 | -164.7 | 0 | 112.8 | I388 D412 M413 F456 V457 M458 | I388-K460 HydrophobicContact CG2-CB 3.87Å; I388-K460 HydrophobicContact CG2-CG 4.19Å; D412-K460 IonicContact OD1-NZ 3.47Å; D412-K460 WeakPolarHBondContact OD2-CD 3.29Å; D412-K460 WeakPolarHBondContact OD2-CE 3.34Å; D412-K460 IonicContact OD2-NZ 2.82Å; D412-K460 PolarHBondContact OD2-NZ 3.44Å; M413-K460 HydrophobicContact SD-CD 3.79Å; M413-K460 HydrophobicContact SD-CG 4.33Å; F456-K460 HydrophobicContact CD1-CG 4.42Å; F456-K460 HydrophobicContact CD2-CG 4.3Å; F456-K460 HydrophobicContact CE1-CG 3.93Å; F456-K460 HydrophobicContact CE2-CD 3.95Å; F456-K460 HydrophobicContact CE2-CG 3.8Å; F456-K460 HydrophobicContact CZ-CD 3.89Å; F456-K460 HydrophobicContact CZ-CG 3.59Å; F456-K460 WeakPolarHBondContact O-CG 3.29Å; F456-K460 PolarHBondContact O-N 2.73Å; V457-K460 PolarHBondContact O-N 3.33Å; V457-K460 VanDerWaalsContact O-N 3.16Å; M458-K460 VanDerWaalsContact C-N 3.27Å; M458-K460 PolarHBondContact O-N 3.09Å |
| 461 | Q | 95.3 | Very high | 96 | Very high | 78 Ų | 78 | 34.6 Ų | 34.6 | 36% | 0.364 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -95.2 | -16.3 | -172.7 | -62 | -165.5 | 18.6 | 0 | 0 | 113.8 | I388 F390 V457 M458 P463 | I388-Q461 PolarHBondContact O-NE2 3.39Å; F390-Q461 HydrophobicContact CE2-CB 4.26Å; F390-Q461 HydrophobicContact CZ-CB 4.29Å; V457-Q461 HydrophobicContact CG1-CG 4.05Å; V457-Q461 WeakPolarHBondContact O-CB 3.25Å; V457-Q461 WeakPolarHBondContact O-CG 3.41Å; V457-Q461 PolarHBondContact O-N 3.26Å; M458-Q461 PolarHBondContact O-N 3.2Å; Q461-P463 WeakPolarHBondContact O-CD 3.46Å |
| 462 | I | 96.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -121.8 | 86.9 | -177.7 | -49.7 | 172.3 | 0 | 0 | 0 | 108.6 | M458 E464 I465 F666 Q668 M669 | M458-I462 HydrophobicContact CB-CD1 4.24Å; M458-I462 HydrophobicContact CE-CD1 4.06Å; M458-I462 HydrophobicContact CG-CD1 4.41Å; M458-I462 WeakPolarHBondContact O-CA 3.37Å; M458-I462 WeakPolarHBondContact O-CB 3.26Å; M458-I462 WeakPolarHBondContact O-CG1 3.34Å; M458-I462 PolarHBondContact O-N 2.99Å; I462-E464 HydrophobicContact CG2-CB 4.22Å; I462-E464 WeakPolarHBondContact CG2-OE2 3.2Å; I462-E464 PolarHBondContact O-N 3.35Å; I462-E464 VanDerWaalsContact O-N 3.1Å; I462-I465 HydrophobicContact CB-CD1 3.89Å; I462-I465 HydrophobicContact CB-CG1 4.12Å; I462-I465 HydrophobicContact CD1-CD1 4Å; I462-I465 HydrophobicContact CG1-CD1 4.5Å; I462-I465 HydrophobicContact CG2-CD1 4.09Å; I462-I465 HydrophobicContact CG2-CG1 3.89Å; I462-I465 PolarHBondContact O-N 3.33Å; I462-I465 VanDerWaalsContact O-N 3.16Å; I462-F666 HydrophobicContact CD1-CB 4.01Å; I462-F666 HydrophobicContact CD1-CG 4.34Å; I462-F666 HydrophobicContact CG2-CB 3.96Å; I462-F666 HydrophobicContact CG2-CD1 3.49Å; I462-F666 VanDerWaalsContact CG2-CD1 3.49Å; I462-F666 HydrophobicContact CG2-CE1 4.11Å; I462-F666 HydrophobicContact CG2-CG 3.77Å; I462-Q668 HydrophobicContact CG1-CB 4.09Å; I462-Q668 HydrophobicContact CG1-CG 4.46Å; I462-M669 HydrophobicContact CD1-CG 3.75Å; I462-M669 HydrophobicContact CD1-SD 3.7Å | ||
| 463 | P | 92.6 | Very high | 95.9 | Very high | 52 Ų | 52 | 36.4 Ų | 36.4 | 34% | 0.338 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -56.6 | -27.6 | -177.9 | -25.2 | 34.7 | 0 | 0 | 0 | 113.9 | Q461 I465 R466 K467 | Q461-P463 WeakPolarHBondContact O-CD 3.46Å; P463-I465 VanDerWaalsContact C-N 3.29Å; P463-I465 PolarHBondContact O-N 2.86Å; P463-R466 PolarHBondContact O-N 3.28Å; P463-K467 PolarHBondContact O-N 2.9Å |
| 464 | E | 92.9 | Very high | 95.9 | Very high | 61 Ų | 61 | 36.5 Ų | 36.5 | 29% | 0.285 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57.8 | -39.1 | 178.5 | -65.8 | 71.3 | -155 | 0 | 0 | 112.1 | I462 R466 K467 F468 F666 Q668 | I462-E464 HydrophobicContact CG2-CB 4.22Å; I462-E464 WeakPolarHBondContact CG2-OE2 3.2Å; I462-E464 PolarHBondContact O-N 3.35Å; I462-E464 VanDerWaalsContact O-N 3.1Å; E464-R466 PolarHBondContact O-N 3.33Å; E464-K467 CarbonylContact O-C 3.51Å; E464-K467 WeakPolarHBondContact O-CA 3.18Å; E464-K467 WeakPolarHBondContact O-CB 3.03Å; E464-K467 PolarHBondContact O-N 3.41Å; E464-F468 HydrophobicContact CB-CE1 4.32Å; E464-F468 HydrophobicContact CB-CE2 4.41Å; E464-F468 HydrophobicContact CB-CZ 4.15Å; E464-F468 VanDerWaalsContact O-CD1 3.28Å; E464-F468 WeakPolarHBondContact O-CD1 3.38Å; E464-F468 VanDerWaalsContact O-CG 3.25Å; E464-F468 WeakPolarHBondContact O-CG 3.23Å; E464-F468 PolarHBondContact O-N 3.33Å; E464-F666 HydrophobicContact CB-CD1 4.15Å; E464-F666 HydrophobicContact CB-CE1 3.86Å; E464-Q668 PolarHBondContact OE2-NE2 3.19Å; E464-Q668 VanDerWaalsContact OE2-NE2 3.12Å |
| 465 | I | 94.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.1 | -42.6 | 179.3 | -67 | 176.4 | 0 | 0 | 0 | 110.6 | F455 M458 M459 I462 P463 K467 F468 Y469 L591 F666 | F455-I465 HydrophobicContact CE2-CG2 4.4Å; M458-I465 HydrophobicContact CB-CD1 3.74Å; M458-I465 HydrophobicContact CE-CD1 4.01Å; M459-I465 HydrophobicContact CG-CG2 4.09Å; I462-I465 HydrophobicContact CB-CD1 3.89Å; I462-I465 HydrophobicContact CB-CG1 4.12Å; I462-I465 HydrophobicContact CD1-CD1 4Å; I462-I465 HydrophobicContact CG1-CD1 4.5Å; I462-I465 HydrophobicContact CG2-CD1 4.09Å; I462-I465 HydrophobicContact CG2-CG1 3.89Å; I462-I465 PolarHBondContact O-N 3.33Å; I462-I465 VanDerWaalsContact O-N 3.16Å; P463-I465 VanDerWaalsContact C-N 3.29Å; P463-I465 PolarHBondContact O-N 2.86Å; I465-K467 VanDerWaalsContact C-N 3.28Å; I465-K467 PolarHBondContact O-N 3.35Å; I465-F468 PolarHBondContact O-N 2.88Å; I465-Y469 HydrophobicContact CG2-CD2 4.21Å; I465-Y469 PolarHBondContact O-N 3.46Å; I465-L591 HydrophobicContact CD1-CD2 4.15Å; I465-F666 HydrophobicContact CD1-CE2 4.35Å; I465-F666 HydrophobicContact CG1-CE1 4.04Å; I465-F666 HydrophobicContact CG1-CE2 4.05Å; I465-F666 HydrophobicContact CG1-CZ 3.73Å |
| 466 | R | 92.3 | Very high | 95.9 | Very high | 129 Ų | 129 | 36.5 Ų | 36.5 | 49% | 0.487 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -77.2 | -13.5 | 179.4 | -55 | -174.6 | -57.4 | 169.4 | -3.8 | 113.7 | M413 M459 P463 E464 | M413-R466 HydrophobicContact CE-CG 4.41Å; M459-R466 HydrophobicContact CB-CG 4.36Å; M459-R466 WeakPolarHBondContact O-CD 3.17Å; M459-R466 PolarHBondContact O-NE 3.03Å; P463-R466 PolarHBondContact O-N 3.28Å; E464-R466 PolarHBondContact O-N 3.33Å |
| 467 | K | 90.2 | Very high | 95.9 | Very high | 162 Ų | 162 | 36.5 Ų | 36.5 | 70% | 0.704 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -86.3 | -33.1 | 170.3 | -66.6 | 176.2 | -178.5 | 173.8 | 0 | 110.9 | P463 E464 I465 | P463-K467 PolarHBondContact O-N 2.9Å; E464-K467 CarbonylContact O-C 3.51Å; E464-K467 WeakPolarHBondContact O-CA 3.18Å; E464-K467 WeakPolarHBondContact O-CB 3.03Å; E464-K467 PolarHBondContact O-N 3.41Å; I465-K467 VanDerWaalsContact C-N 3.28Å; I465-K467 PolarHBondContact O-N 3.35Å |
| 468 | F | 92.3 | Very high | 96 | Very high | 51 Ų | 51 | 36.5 Ų | 36.5 | 22% | 0.224 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -78.3 | -39.7 | -177.3 | -67.3 | 0.6 | 0 | 0 | 0 | 111.2 | E464 I465 L578 R584 L587 F666 | E464-F468 HydrophobicContact CB-CE1 4.32Å; E464-F468 HydrophobicContact CB-CE2 4.41Å; E464-F468 HydrophobicContact CB-CZ 4.15Å; E464-F468 VanDerWaalsContact O-CD1 3.28Å; E464-F468 WeakPolarHBondContact O-CD1 3.38Å; E464-F468 VanDerWaalsContact O-CG 3.25Å; E464-F468 WeakPolarHBondContact O-CG 3.23Å; E464-F468 PolarHBondContact O-N 3.33Å; I465-F468 PolarHBondContact O-N 2.88Å; F468-L578 HydrophobicContact CB-CD2 3.81Å; F468-L578 HydrophobicContact CD1-CD1 3.24Å; F468-L578 HydrophobicContact CD1-CD2 3.82Å; F468-L578 HydrophobicContact CD1-CG 4.17Å; F468-L578 HydrophobicContact CD2-CD2 3.7Å; F468-L578 HydrophobicContact CE1-CD1 3.41Å; F468-L578 VanDerWaalsContact CE1-CD1 3.41Å; F468-L578 HydrophobicContact CE1-CD2 4.29Å; F468-L578 HydrophobicContact CE1-CG 4.41Å; F468-L578 HydrophobicContact CE2-CD2 4.16Å; F468-L578 HydrophobicContact CG-CD1 3.89Å; F468-L578 HydrophobicContact CG-CD2 3.5Å; F468-L578 VanDerWaalsContact CG-CD2 3.5Å; F468-L578 HydrophobicContact CG-CG 4.35Å; F468-L578 HydrophobicContact CZ-CD1 4.14Å; F468-L578 HydrophobicContact CZ-CD2 4.44Å; F468-R584 VanDerWaalsContact O-CZ 3.25Å; F468-R584 PolarHBondContact O-NH1 3.15Å; F468-R584 PolarHBondContact O-NH2 3Å; F468-L587 HydrophobicContact CD2-CD2 3.92Å; F468-L587 HydrophobicContact CE2-CD2 4.48Å; F468-F666 HydrophobicContact CD2-CE1 4.17Å; F468-F666 HydrophobicContact CD2-CZ 4.18Å; F468-F666 AromaticContact CE2-CE1 3.78Å; F468-F666 HydrophobicContact CE2-CE1 3.78Å; F468-F666 HydrophobicContact CE2-CZ 4.13Å |
| 469 | Y | 95.6 | Very high | 96 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -110.6 | 139.1 | 179.7 | -60 | -63.6 | 0 | 0 | 0 | 111.3 | I465 E473 I477 R584 L587 R588 L591 | I465-Y469 HydrophobicContact CG2-CD2 4.21Å; I465-Y469 PolarHBondContact O-N 3.46Å; Y469-E473 HydrophobicContact CD1-CB 4.34Å; Y469-E473 HydrophobicContact CG-CB 4.47Å; Y469-I477 HydrophobicContact CD2-CD1 4.36Å; Y469-I477 HydrophobicContact CG-CD1 4.38Å; Y469-R584 HydrophobicContact CE1-CB 4.29Å; Y469-R584 PolarHBondContact OH-O 3.48Å; Y469-L587 HydrophobicContact CE2-CD2 4.2Å; Y469-L587 HydrophobicContact CE2-CG 4.47Å; Y469-L587 WeakPolarHBondContact OH-CB 3.48Å; Y469-L587 WeakPolarHBondContact OH-CD2 3.44Å; Y469-L587 VanDerWaalsContact OH-CG 3.24Å; Y469-L587 WeakPolarHBondContact OH-CG 3.27Å; Y469-R588 HydrophobicContact CD1-CG 4.21Å; Y469-R588 HydrophobicContact CE1-CG 3.4Å; Y469-R588 VanDerWaalsContact CE1-CG 3.4Å; Y469-R588 HydrophobicContact CE2-CG 4.23Å; Y469-R588 VanDerWaalsContact CZ-CG 3.41Å; Y469-R588 WeakPolarHBondContact OH-CG 3.44Å; Y469-R588 PolarHBondContact OH-N 3.31Å; Y469-R588 VanDerWaalsContact OH-N 3.15Å; Y469-L591 HydrophobicContact CE2-CD1 3.71Å |
| 470 | S | 95.8 | Very high | 96.1 | Very high | 56 Ų | 56 | 36.5 Ų | 36.5 | 39% | 0.392 | 18% | 0.177 | S | C | . | . | trans | -64 | 165.5 | 171.2 | 65.1 | 0 | 0 | 0 | 0 | 111.8 | L472 E473 C474 | S470-L472 VanDerWaalsContact C-N 3.25Å; S470-L472 PolarHBondContact O-N 2.83Å; S470-E473 WeakPolarHBondContact CB-OE2 3.27Å; S470-E473 PolarHBondContact N-OE2 3.06Å; S470-E473 PolarHBondContact O-N 3.07Å; S470-E473 VanDerWaalsContact O-N 3.15Å; S470-E473 VanDerWaalsContact OG-CG 3.27Å; S470-E473 WeakPolarHBondContact OG-CG 3.2Å; S470-E473 PolarHBondContact OG-N 3.03Å; S470-E473 PolarHBondContact OG-OE2 3.13Å; S470-C474 PolarHBondContact O-N 3.26Å; S470-C474 PolarHBondContact O-SG 3.29Å; S470-C474 VanDerWaalsContact O-SG 3.34Å | ||
| 471 | T | 97.6 | Very high | 96.2 | Very high | 65 Ų | 65 | 33.2 Ų | 33.2 | 40% | 0.399 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -55.2 | -41.1 | 175.5 | -48.8 | 0 | 0 | 0 | 0 | 112.4 | F415 A418 L419 A475 | F415-T471 HydrophobicContact CD1-CG2 3.67Å; F415-T471 HydrophobicContact CE1-CG2 4.09Å; A418-T471 HydrophobicContact CB-CG2 3.74Å; L419-T471 HydrophobicContact CD2-CG2 4.49Å; L419-T471 HydrophobicContact CG-CG2 4.44Å; T471-A475 WeakPolarHBondContact O-CB 3.47Å; T471-A475 PolarHBondContact O-N 2.74Å |
| 472 | L | 98.2 | Very high | 96.4 | Very high | 19 Ų | 19 | 29.5 Ų | 29.5 | 10% | 0.099 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 177.5 | -179.8 | 62.8 | 0 | 0 | 0 | 111.4 | L419 S470 A475 S476 L537 D541 T544 A545 | L419-L472 HydrophobicContact CD1-CD1 4.32Å; L419-L472 HydrophobicContact CD2-CB 4.22Å; L419-L472 HydrophobicContact CD2-CD1 4.14Å; S470-L472 VanDerWaalsContact C-N 3.25Å; S470-L472 PolarHBondContact O-N 2.83Å; L472-A475 PolarHBondContact O-N 2.81Å; L472-S476 VanDerWaalsContact O-CB 3.29Å; L472-S476 WeakPolarHBondContact O-CB 3.24Å; L472-S476 PolarHBondContact O-N 3.49Å; L472-S476 PolarHBondContact O-OG 3.02Å; L472-L537 HydrophobicContact CD1-CD1 3.43Å; L472-L537 VanDerWaalsContact CD1-CD1 3.43Å; L472-D541 HydrophobicContact CD2-CB 3.89Å; L472-T544 HydrophobicContact CD2-CG2 4.49Å; L472-A545 HydrophobicContact CD1-CB 3.98Å; L472-A545 HydrophobicContact CG-CB 4.43Å |
| 473 | E | 97.9 | Very high | 96.5 | Very high | 18 Ų | 18 | 29.5 Ų | 29.5 | 8% | 0.084 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.3 | -45.3 | 178.5 | -71.1 | 170.2 | 103.7 | 0 | 0 | 111.6 | Y469 S470 A475 S476 I477 I548 R584 R588 | Y469-E473 HydrophobicContact CD1-CB 4.34Å; Y469-E473 HydrophobicContact CG-CB 4.47Å; S470-E473 WeakPolarHBondContact CB-OE2 3.27Å; S470-E473 PolarHBondContact N-OE2 3.06Å; S470-E473 PolarHBondContact O-N 3.07Å; S470-E473 VanDerWaalsContact O-N 3.15Å; S470-E473 VanDerWaalsContact OG-CG 3.27Å; S470-E473 WeakPolarHBondContact OG-CG 3.2Å; S470-E473 PolarHBondContact OG-N 3.03Å; S470-E473 PolarHBondContact OG-OE2 3.13Å; E473-A475 PolarHBondContact O-N 3.16Å; E473-S476 PolarHBondContact O-N 2.93Å; E473-I477 WeakPolarHBondContact O-CD1 3.28Å; E473-I477 VanDerWaalsContact O-CG1 3.25Å; E473-I477 WeakPolarHBondContact O-CG1 3.38Å; E473-I477 PolarHBondContact O-N 2.82Å; E473-I548 HydrophobicContact CB-CD1 4.2Å; E473-I548 HydrophobicContact CG-CD1 3.53Å; E473-R584 IonicContact OE1-CZ 2.64Å; E473-R584 IonicContact OE1-NE 3.81Å; E473-R584 IonicContact OE1-NH2 2.73Å; E473-R584 PolarHBondContact OE1-NH2 3.13Å; E473-R584 IonicContact OE2-NH2 3.32Å; E473-R584 PolarHBondContact OE2-NH2 2.96Å; E473-R588 IonicContact OE1-NH1 2.72Å; E473-R588 PolarHBondContact OE1-NH1 3.16Å |
| 474 | C | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.02 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 177.2 | -68 | 0 | 0 | 0 | 0 | 111.8 | F415 M459 S470 S476 I477 L478 | F415-C474 HydrophobicContact CE1-CB 3.92Å; F415-C474 HydrophobicContact CZ-CB 3.69Å; M459-C474 HydrophobicContact SD-CB 3.8Å; S470-C474 PolarHBondContact O-N 3.26Å; S470-C474 PolarHBondContact O-SG 3.29Å; S470-C474 VanDerWaalsContact O-SG 3.34Å; C474-S476 VanDerWaalsContact C-N 3.31Å; C474-S476 PolarHBondContact O-N 3.01Å; C474-I477 PolarHBondContact O-N 2.64Å; C474-L478 PolarHBondContact O-N 2.83Å |
| 475 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.7 | -39.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F415 L419 T471 L472 E473 L478 V479 F534 | F415-A475 HydrophobicContact CB-CB 4.33Å; F415-A475 HydrophobicContact CD1-CB 4.15Å; F415-A475 HydrophobicContact CD2-CB 3.81Å; F415-A475 HydrophobicContact CE1-CB 4.39Å; F415-A475 HydrophobicContact CE2-CB 4.07Å; F415-A475 HydrophobicContact CG-CB 3.85Å; F415-A475 HydrophobicContact CZ-CB 4.36Å; L419-A475 HydrophobicContact CD1-CB 3.47Å; L419-A475 VanDerWaalsContact CD1-CB 3.47Å; T471-A475 WeakPolarHBondContact O-CB 3.47Å; T471-A475 PolarHBondContact O-N 2.74Å; L472-A475 PolarHBondContact O-N 2.81Å; E473-A475 PolarHBondContact O-N 3.16Å; A475-L478 PolarHBondContact O-N 3.19Å; A475-V479 WeakPolarHBondContact O-CB 3.43Å; A475-V479 VanDerWaalsContact O-CG2 3.25Å; A475-V479 WeakPolarHBondContact O-CG2 3.48Å; A475-V479 PolarHBondContact O-N 3.41Å; A475-F534 HydrophobicContact CB-CE1 4.4Å; A475-F534 HydrophobicContact CB-CZ 4.28Å |
| 476 | S | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.3 | -40.9 | 178.5 | -59 | 0 | 0 | 0 | 0 | 112.4 | L472 E473 C474 V479 A480 A545 I549 | L472-S476 VanDerWaalsContact O-CB 3.29Å; L472-S476 WeakPolarHBondContact O-CB 3.24Å; L472-S476 PolarHBondContact O-N 3.49Å; L472-S476 PolarHBondContact O-OG 3.02Å; E473-S476 PolarHBondContact O-N 2.93Å; C474-S476 VanDerWaalsContact C-N 3.31Å; C474-S476 PolarHBondContact O-N 3.01Å; S476-V479 PolarHBondContact O-N 3.39Å; S476-A480 WeakPolarHBondContact O-CB 3.01Å; S476-A480 PolarHBondContact O-N 2.92Å; S476-A545 WeakPolarHBondContact OG-CA 3.41Å; S476-A545 WeakPolarHBondContact OG-CB 3.37Å; S476-I549 WeakPolarHBondContact O-CG1 3.2Å |
| 477 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.4 | -43 | 174.7 | -61.9 | 158.5 | 0 | 0 | 0 | 110.1 | F455 Y469 E473 C474 V479 A480 C481 I548 V552 R588 | F455-I477 HydrophobicContact CD1-CB 4.4Å; F455-I477 HydrophobicContact CD1-CG2 3.9Å; F455-I477 HydrophobicContact CD2-CG2 4.06Å; F455-I477 HydrophobicContact CE1-CB 3.64Å; F455-I477 HydrophobicContact CE1-CG2 3.49Å; F455-I477 VanDerWaalsContact CE1-CG2 3.49Å; F455-I477 HydrophobicContact CE2-CB 4.45Å; F455-I477 HydrophobicContact CE2-CG2 3.68Å; F455-I477 HydrophobicContact CG-CG2 4.18Å; F455-I477 HydrophobicContact CZ-CB 3.68Å; F455-I477 HydrophobicContact CZ-CD1 4.01Å; F455-I477 HydrophobicContact CZ-CG1 4.47Å; F455-I477 HydrophobicContact CZ-CG2 3.38Å; Y469-I477 HydrophobicContact CD2-CD1 4.36Å; Y469-I477 HydrophobicContact CG-CD1 4.38Å; E473-I477 WeakPolarHBondContact O-CD1 3.28Å; E473-I477 VanDerWaalsContact O-CG1 3.25Å; E473-I477 WeakPolarHBondContact O-CG1 3.38Å; E473-I477 PolarHBondContact O-N 2.82Å; C474-I477 PolarHBondContact O-N 2.64Å; I477-V479 VanDerWaalsContact C-N 3.35Å; I477-V479 PolarHBondContact O-N 3.43Å; I477-A480 WeakPolarHBondContact O-CB 3.22Å; I477-A480 PolarHBondContact O-N 3.33Å; I477-A480 VanDerWaalsContact O-N 3.15Å; I477-C481 PolarHBondContact O-N 3.45Å; I477-C481 PolarHBondContact O-SG 2.82Å; I477-I548 HydrophobicContact CG1-CG2 4.03Å; I477-V552 HydrophobicContact CG1-CG2 4.05Å; I477-V552 HydrophobicContact CG2-CG1 4.33Å; I477-R588 HydrophobicContact CD1-CG 3.83Å; I477-R588 HydrophobicContact CG1-CG 4.4Å |
| 478 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 176.9 | -176.4 | 65.2 | 0 | 0 | 0 | 111.9 | M409 F410 F415 A452 F455 M459 C474 A475 A480 C481 F482 | M409-L478 HydrophobicContact CB-CD2 4.46Å; F410-L478 HydrophobicContact CD2-CD2 4.25Å; F410-L478 HydrophobicContact CE2-CD2 4.01Å; F410-L478 HydrophobicContact CZ-CD2 4.18Å; F415-L478 HydrophobicContact CD2-CD2 4.29Å; F415-L478 HydrophobicContact CE2-CD2 3.84Å; A452-L478 HydrophobicContact CB-CD1 3.98Å; A452-L478 WeakPolarHBondContact O-CD1 3.4Å; F455-L478 HydrophobicContact CD1-CB 4.02Å; F455-L478 HydrophobicContact CD1-CD1 4.12Å; F455-L478 HydrophobicContact CE1-CB 4.23Å; M459-L478 HydrophobicContact CE-CD1 4.5Å; M459-L478 HydrophobicContact CE-CD2 4.47Å; C474-L478 PolarHBondContact O-N 2.83Å; A475-L478 PolarHBondContact O-N 3.19Å; L478-A480 VanDerWaalsContact C-N 3.33Å; L478-C481 PolarHBondContact O-N 2.76Å; L478-F482 HydrophobicContact CD1-CE2 4.02Å; L478-F482 HydrophobicContact CD2-CE2 4.36Å; L478-F482 HydrophobicContact CG-CD2 4.25Å; L478-F482 HydrophobicContact CG-CE2 3.88Å; L478-F482 VanDerWaalsContact O-CD2 3.24Å; L478-F482 WeakPolarHBondContact O-CD2 3.38Å; L478-F482 PolarHBondContact O-N 3.34Å |
| 479 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 173.2 | 166.3 | 0 | 0 | 0 | 0 | 110.9 | F410 F429 A475 S476 I477 C481 F482 C483 I533 F534 I549 | F410-V479 HydrophobicContact CE1-CG2 4.16Å; F410-V479 HydrophobicContact CZ-CG2 3.89Å; F429-V479 HydrophobicContact CE2-CG1 4.34Å; F429-V479 HydrophobicContact CZ-CG1 3.87Å; F429-V479 HydrophobicContact CZ-CG2 4.39Å; A475-V479 WeakPolarHBondContact O-CB 3.43Å; A475-V479 VanDerWaalsContact O-CG2 3.25Å; A475-V479 WeakPolarHBondContact O-CG2 3.48Å; A475-V479 PolarHBondContact O-N 3.41Å; S476-V479 PolarHBondContact O-N 3.39Å; I477-V479 VanDerWaalsContact C-N 3.35Å; I477-V479 PolarHBondContact O-N 3.43Å; V479-C481 PolarHBondContact O-N 2.95Å; V479-F482 PolarHBondContact O-N 2.94Å; V479-C483 WeakPolarHBondContact O-CB 3.49Å; V479-C483 PolarHBondContact O-N 3.05Å; V479-C483 VanDerWaalsContact O-N 3.12Å; V479-C483 PolarHBondContact O-SG 3.24Å; V479-C483 VanDerWaalsContact O-SG 3.33Å; V479-I533 HydrophobicContact CG2-CD1 3.68Å; V479-F534 HydrophobicContact CG2-CE2 4.47Å; V479-F534 HydrophobicContact CG2-CZ 4.06Å; V479-I549 HydrophobicContact CB-CD1 4.22Å; V479-I549 HydrophobicContact CB-CG1 4.41Å; V479-I549 HydrophobicContact CG1-CD1 3.59Å; V479-I549 HydrophobicContact CG1-CG1 4.06Å |
| 480 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | S476 I477 L478 F482 C483 H484 I549 V552 I553 | S476-A480 WeakPolarHBondContact O-CB 3.01Å; S476-A480 PolarHBondContact O-N 2.92Å; I477-A480 WeakPolarHBondContact O-CB 3.22Å; I477-A480 PolarHBondContact O-N 3.33Å; I477-A480 VanDerWaalsContact O-N 3.15Å; L478-A480 VanDerWaalsContact C-N 3.33Å; A480-F482 VanDerWaalsContact C-N 3.31Å; A480-F482 PolarHBondContact O-N 3.25Å; A480-C483 CarbonylContact O-C 3.51Å; A480-C483 PolarHBondContact O-N 3.37Å; A480-H484 WeakPolarHBondContact O-CB 3.46Å; A480-H484 PolarHBondContact O-N 2.86Å; A480-I549 HydrophobicContact CB-CG2 4.36Å; A480-V552 HydrophobicContact CB-CB 3.63Å; A480-V552 HydrophobicContact CB-CG1 3.38Å; A480-I553 HydrophobicContact CB-CG1 3.99Å |
| 481 | C | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.3 | -41.1 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | A451 A452 I477 L478 V479 C483 H484 | A451-C481 HydrophobicContact CB-CB 4.47Å; A452-C481 HydrophobicContact CB-CB 3.87Å; I477-C481 PolarHBondContact O-N 3.45Å; I477-C481 PolarHBondContact O-SG 2.82Å; L478-C481 PolarHBondContact O-N 2.76Å; V479-C481 PolarHBondContact O-N 2.95Å; C481-C483 PolarHBondContact O-N 3.12Å; C481-H484 PolarHBondContact O-ND1 2.83Å |
| 482 | F | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -65 | -27.9 | 174.2 | -78.7 | -62.1 | 0 | 0 | 0 | 113.2 | A406 M409 F410 L430 V433 Y437 W445 F449 A452 L478 V479 A480 | A406-F482 HydrophobicContact CB-CE1 3.99Å; A406-F482 HydrophobicContact CB-CE2 4.49Å; A406-F482 HydrophobicContact CB-CZ 3.6Å; M409-F482 HydrophobicContact SD-CZ 4.24Å; F410-F482 HydrophobicContact CE2-CD2 4.27Å; F410-F482 AromaticContact CE2-CE2 3.8Å; F410-F482 HydrophobicContact CE2-CE2 3.8Å; L430-F482 HydrophobicContact CD2-CE2 4.44Å; L430-F482 HydrophobicContact CD2-CZ 4.46Å; V433-F482 HydrophobicContact CG1-CB 4.33Å; V433-F482 VanDerWaalsContact CG1-O 3.27Å; V433-F482 WeakPolarHBondContact CG1-O 3.48Å; Y437-F482 VanDerWaalsContact CE2-O 3.22Å; Y437-F482 WeakPolarHBondContact CE2-O 3.49Å; Y437-F482 PolarHBondContact OH-O 2.74Å; W445-F482 AromaticContact CH2-CD1 3.92Å; W445-F482 HydrophobicContact CH2-CD1 3.92Å; W445-F482 HydrophobicContact CH2-CE1 4.07Å; W445-F482 HydrophobicContact CZ3-CD1 4.08Å; F449-F482 AromaticContact CD2-CE1 3.89Å; F449-F482 HydrophobicContact CD2-CE1 3.89Å; A452-F482 HydrophobicContact CB-CD1 3.63Å; A452-F482 HydrophobicContact CB-CD2 3.87Å; A452-F482 HydrophobicContact CB-CE1 3.45Å; A452-F482 VanDerWaalsContact CB-CE1 3.45Å; A452-F482 HydrophobicContact CB-CE2 3.71Å; A452-F482 HydrophobicContact CB-CG 3.83Å; A452-F482 HydrophobicContact CB-CZ 3.49Å; A452-F482 VanDerWaalsContact CB-CZ 3.49Å; L478-F482 HydrophobicContact CD1-CE2 4.02Å; L478-F482 HydrophobicContact CD2-CE2 4.36Å; L478-F482 HydrophobicContact CG-CD2 4.25Å; L478-F482 HydrophobicContact CG-CE2 3.88Å; L478-F482 VanDerWaalsContact O-CD2 3.24Å; L478-F482 WeakPolarHBondContact O-CD2 3.38Å; L478-F482 PolarHBondContact O-N 3.34Å; V479-F482 PolarHBondContact O-N 2.94Å; A480-F482 VanDerWaalsContact C-N 3.31Å; A480-F482 PolarHBondContact O-N 3.25Å |
| 483 | C | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -103.8 | -11.8 | -169.5 | -73 | 0 | 0 | 0 | 0 | 115.1 | V479 A480 C481 D485 M486 A522 I553 | V479-C483 WeakPolarHBondContact O-CB 3.49Å; V479-C483 PolarHBondContact O-N 3.05Å; V479-C483 VanDerWaalsContact O-N 3.12Å; V479-C483 PolarHBondContact O-SG 3.24Å; V479-C483 VanDerWaalsContact O-SG 3.33Å; A480-C483 CarbonylContact O-C 3.51Å; A480-C483 PolarHBondContact O-N 3.37Å; C481-C483 PolarHBondContact O-N 3.12Å; C483-D485 PolarHBondContact O-N 3.04Å; C483-D485 VanDerWaalsContact O-N 3.09Å; C483-M486 HydrophobicContact CB-CE 3.79Å; C483-M486 HydrophobicContact CB-SD 4.46Å; C483-M486 WeakPolarHBondContact O-CG 3.35Å; C483-M486 PolarHBondContact O-N 3.36Å; C483-A522 HydrophobicContact CB-CB 3.85Å; C483-I553 HydrophobicContact CB-CD1 3.82Å |
| 484 | H | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.6 | -161.7 | 79.3 | -74.9 | 0 | 0 | 0 | 115.6 | H447 A480 C481 H518 I553 M592 D596 | H447-H484 AromaticContact CD2-CE1 3.84Å; H447-H484 AromaticContact CD2-NE2 3.89Å; H447-H484 AromaticContact NE2-CE1 3.51Å; H447-H484 AromaticContact NE2-NE2 3.23Å; H447-H484 PolarHBondContact NE2-NE2 3.36Å; A480-H484 WeakPolarHBondContact O-CB 3.46Å; A480-H484 PolarHBondContact O-N 2.86Å; C481-H484 PolarHBondContact O-ND1 2.83Å; H484-H518 WeakPolarHBondContact O-CB 3.38Å; H484-H518 PolarHBondContact O-CD2 2.9Å; H484-I553 HydrophobicContact CB-CG1 4.19Å; H484-M592 HydrophobicContact CB-CE 4.04Å; H484-D596 IonicContact NE2-OD1 3.8Å |
| 485 | D | 98.2 | Very high | 96.5 | Very high | 10 Ų | 10 | 13.5 Ų | 13.5 | 5% | 0.053 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 19.7 | -177.8 | -90.4 | -19 | 0 | 0 | 0 | 113.2 | Y437 H443 H447 C483 D487 H488 H518 | Y437-D485 HydrophobicContact CE1-CB 3.61Å; Y437-D485 VanDerWaalsContact CE1-O 3.25Å; Y437-D485 WeakPolarHBondContact CE1-O 3.2Å; Y437-D485 PolarHBondContact OH-N 3.4Å; H443-D485 IonicContact CD2-OD2 2.65Å; H443-D485 PolarHBondContact CD2-OD2 2.93Å; H443-D485 VanDerWaalsContact CD2-OD2 3.3Å; H447-D485 IonicContact CD2-OD2 3.81Å; H447-D485 PolarHBondContact CD2-OD2 3.43Å; H447-D485 IonicContact NE2-OD2 3.77Å; H447-D485 PolarHBondContact NE2-OD2 2.93Å; C483-D485 PolarHBondContact O-N 3.04Å; C483-D485 VanDerWaalsContact O-N 3.09Å; D485-D487 PolarHBondContact O-N 3.21Å; D485-H488 HydrophobicContact CB-CB 4.4Å; D485-H488 VanDerWaalsContact O-CB 3.22Å; D485-H488 WeakPolarHBondContact O-CB 3.4Å; D485-H488 PolarHBondContact O-N 3.46Å; D485-H518 IonicContact OD1-CD2 2.66Å; D485-H518 IonicContact OD1-NE2 3.64Å |
| 486 | M | 95.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 135.8 | -178.3 | -77.3 | -163.7 | -56.9 | 0 | 0 | 112.7 | V433 A436 Y437 C483 H488 H518 Q521 A522 | V433-M486 HydrophobicContact CB-SD 4.1Å; V433-M486 HydrophobicContact CG1-CG 4.28Å; V433-M486 HydrophobicContact CG1-SD 3.78Å; V433-M486 HydrophobicContact CG2-SD 3.94Å; A436-M486 HydrophobicContact CB-CB 4.29Å; A436-M486 HydrophobicContact CB-CG 4.18Å; A436-M486 HydrophobicContact CB-SD 3.81Å; Y437-M486 HydrophobicContact CD2-CG 4.15Å; Y437-M486 HydrophobicContact CE2-CG 3.5Å; C483-M486 HydrophobicContact CB-CE 3.79Å; C483-M486 HydrophobicContact CB-SD 4.46Å; C483-M486 WeakPolarHBondContact O-CG 3.35Å; C483-M486 PolarHBondContact O-N 3.36Å; M486-H488 PolarHBondContact O-N 2.68Å; M486-H518 PolarHBondContact O-CE1 3.37Å; M486-H518 PolarHBondContact O-ND1 3.37Å; M486-Q521 HydrophobicContact CB-CB 4.01Å; M486-Q521 VanDerWaalsContact CE-C 3.46Å; M486-Q521 HydrophobicContact CE-CB 3.75Å; M486-A522 HydrophobicContact CE-CB 3.69Å |
| 487 | D | 94.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 23.9 | -173 | -169.1 | 46.3 | 0 | 0 | 0 | 114.3 | I362 A436 R438 D485 R489 H517 Q521 | I362-D487 HydrophobicContact CD1-CB 4.17Å; I362-D487 WeakPolarHBondContact CD1-OD1 3.49Å; A436-D487 WeakPolarHBondContact O-CA 3.47Å; A436-D487 PolarHBondContact O-N 2.79Å; R438-D487 IonicContact CZ-OD1 2.61Å; R438-D487 IonicContact NE-OD1 3.09Å; R438-D487 PolarHBondContact NE-OD1 3.41Å; R438-D487 IonicContact NH2-OD1 2.9Å; R438-D487 PolarHBondContact NH2-OD1 2.89Å; D485-D487 PolarHBondContact O-N 3.21Å; D487-R489 WeakPolarHBondContact O-CG 3.29Å; D487-R489 IonicContact OD1-CZ 3.81Å; D487-R489 IonicContact OD1-NH2 3.98Å; D487-R489 PolarHBondContact OD1-NH2 3.06Å; D487-R489 IonicContact OD2-CZ 2.69Å; D487-R489 IonicContact OD2-NE 2.74Å; D487-R489 IonicContact OD2-NH2 3.62Å; D487-R489 PolarHBondContact OD2-NH2 2.85Å; D487-H517 IonicContact OD2-CD2 3.79Å; D487-H517 IonicContact OD2-CE1 3.55Å; D487-H517 PolarHBondContact OD2-CE1 2.76Å; D487-H517 VanDerWaalsContact OD2-CE1 3.31Å; D487-H517 IonicContact OD2-NE2 3.31Å; D487-H517 PolarHBondContact OD2-NE2 3.13Å; D487-Q521 HydrophobicContact CB-CG 4.08Å |
| 488 | H | 95.4 | Very high | 95.3 | Very high | 12 Ų | 12 | 23.3 Ų | 23.3 | 6% | 0.056 | 12% | 0.121 | C | C | . | . | trans | -62 | 135.8 | 172.4 | -164.8 | -85.2 | 0 | 0 | 0 | 111.7 | R438 H443 D485 M486 G490 H518 | R438-H488 WeakPolarHBondContact CB-O 3.41Å; R438-H488 WeakPolarHBondContact CD-O 3.3Å; H443-H488 HydrophobicContact CB-CB 3.85Å; H443-H488 VanDerWaalsContact CB-ND1 3.32Å; H443-H488 WeakPolarHBondContact CB-ND1 3.16Å; H443-H488 AromaticContact CE1-CE1 3.84Å; H443-H488 AromaticContact CG-CE1 3.62Å; H443-H488 AromaticContact CG-CG 3.93Å; H443-H488 AromaticContact CG-ND1 3.51Å; H443-H488 AromaticContact ND1-CE1 3.4Å; H443-H488 PolarHBondContact ND1-CE1 2.86Å; H443-H488 AromaticContact ND1-ND1 3.61Å; D485-H488 HydrophobicContact CB-CB 4.4Å; D485-H488 VanDerWaalsContact O-CB 3.22Å; D485-H488 WeakPolarHBondContact O-CB 3.4Å; D485-H488 PolarHBondContact O-N 3.46Å; M486-H488 PolarHBondContact O-N 2.68Å; H488-G490 PolarHBondContact ND1-N 3.36Å; H488-G490 VanDerWaalsContact ND1-N 3.12Å; H488-H518 AromaticContact CD2-CE1 3.97Å; H488-H518 AromaticContact CD2-NE2 3.73Å | ||
| 489 | R | 93.7 | Very high | 94.7 | Very high | 94 Ų | 94 | 24.5 Ų | 24.5 | 36% | 0.355 | 13% | 0.129 | S | C | . | . | trans | -106.4 | 7 | -168.3 | -60 | -179.4 | -179 | -105.9 | -7.6 | 114.4 | R438 D487 T491 | R438-R489 VanDerWaalsContact NH2-NH2 3.17Å; D487-R489 WeakPolarHBondContact O-CG 3.29Å; D487-R489 IonicContact OD1-CZ 3.81Å; D487-R489 IonicContact OD1-NH2 3.98Å; D487-R489 PolarHBondContact OD1-NH2 3.06Å; D487-R489 IonicContact OD2-CZ 2.69Å; D487-R489 IonicContact OD2-NE 2.74Å; D487-R489 IonicContact OD2-NH2 3.62Å; D487-R489 PolarHBondContact OD2-NH2 2.85Å; R489-T491 VanDerWaalsContact C-N 3.33Å | ||
| 490 | G | 94.8 | Very high | 94 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 10% | 0.103 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 74.4 | 24.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H488 E617 | H488-G490 PolarHBondContact ND1-N 3.36Å; H488-G490 VanDerWaalsContact ND1-N 3.12Å; G490-E617 WeakPolarHBondContact CA-OE2 3.31Å |
| 491 | T | 94.9 | Very high | 93.3 | Very high | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.055 | 17% | 0.166 | C | C | . | . | trans | -141.5 | 141.3 | -180 | 56.3 | 0 | 0 | 0 | 0 | 110.4 | R489 F495 Q496 L514 Q621 | R489-T491 VanDerWaalsContact C-N 3.33Å; T491-F495 HydrophobicContact CG2-CD1 3.87Å; T491-F495 HydrophobicContact CG2-CE1 4.01Å; T491-F495 HydrophobicContact CG2-CG 4.23Å; T491-F495 HydrophobicContact CG2-CZ 4.48Å; T491-Q496 PolarHBondContact OG1-NE2 3.22Å; T491-L514 VanDerWaalsContact O-CD1 3.23Å; T491-L514 WeakPolarHBondContact O-CD1 3.48Å; T491-Q621 HydrophobicContact CG2-CB 4.32Å; T491-Q621 HydrophobicContact CG2-CG 4.15Å | ||
| 492 | N | 94.4 | Very high | 92.4 | Very high | 53 Ų | 53 | 39.1 Ų | 39.1 | 28% | 0.283 | 20% | 0.2 | S | C | . | . | trans | -85.2 | 174 | -173.6 | 69.3 | 13.5 | 0 | 0 | 0 | 115.2 | A494 F495 Q496 Q621 M636 | N492-A494 VanDerWaalsContact C-N 3.29Å; N492-A494 PolarHBondContact O-N 2.77Å; N492-A494 PolarHBondContact OD1-N 3.34Å; N492-F495 WeakPolarHBondContact O-CB 3.4Å; N492-F495 PolarHBondContact O-N 3.28Å; N492-F495 VanDerWaalsContact O-N 3.15Å; N492-F495 PolarHBondContact OD1-N 3.13Å; N492-Q496 PolarHBondContact O-N 2.84Å; N492-Q496 VanDerWaalsContact O-N 3.15Å; N492-Q621 PolarHBondContact OD1-NE2 3.49Å; N492-Q621 VanDerWaalsContact OD1-NE2 3.13Å; N492-M636 WeakPolarHBondContact ND2-CE 3.32Å | ||
| 493 | N | 93.6 | Very high | 91.8 | Very high | 30 Ų | 30 | 39.4 Ų | 39.4 | 16% | 0.16 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56 | -37.6 | 178.5 | -81.6 | -32.9 | 0 | 0 | 0 | 113.5 | Q496 L497 I513 L514 E515 | N493-Q496 PolarHBondContact O-N 3.27Å; N493-L497 PolarHBondContact O-N 3.28Å; N493-L497 VanDerWaalsContact O-N 3.17Å; N493-I513 PolarHBondContact OD1-N 3.42Å; N493-L514 WeakPolarHBondContact OD1-CB 3.49Å; N493-L514 VanDerWaalsContact OD1-CG 3.25Å; N493-L514 WeakPolarHBondContact OD1-CG 3.38Å; N493-L514 PolarHBondContact OD1-N 3.5Å; N493-E515 PolarHBondContact ND2-OE1 3.31Å; N493-E515 PolarHBondContact ND2-OE2 2.96Å |
| 494 | A | 91.7 | Very high | 91.1 | Very high | 45 Ų | 45 | 39.7 Ų | 39.7 | 37% | 0.372 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N492 L497 Q498 | N492-A494 VanDerWaalsContact C-N 3.29Å; N492-A494 PolarHBondContact O-N 2.77Å; N492-A494 PolarHBondContact OD1-N 3.34Å; A494-L497 PolarHBondContact O-N 3.08Å; A494-Q498 WeakPolarHBondContact O-CB 3.47Å; A494-Q498 VanDerWaalsContact O-CG 3.25Å; A494-Q498 WeakPolarHBondContact O-CG 3.16Å; A494-Q498 PolarHBondContact O-N 3.47Å |
| 495 | F | 93.4 | Very high | 90.2 | Very high | 20 Ų | 20 | 46.4 Ų | 46.4 | 9% | 0.088 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 174.3 | 179.9 | -89.9 | 0 | 0 | 0 | 111.8 | T491 N492 L497 Q498 S499 Q621 E625 M628 | T491-F495 HydrophobicContact CG2-CD1 3.87Å; T491-F495 HydrophobicContact CG2-CE1 4.01Å; T491-F495 HydrophobicContact CG2-CG 4.23Å; T491-F495 HydrophobicContact CG2-CZ 4.48Å; N492-F495 WeakPolarHBondContact O-CB 3.4Å; N492-F495 PolarHBondContact O-N 3.28Å; N492-F495 VanDerWaalsContact O-N 3.15Å; N492-F495 PolarHBondContact OD1-N 3.13Å; F495-L497 VanDerWaalsContact C-N 3.33Å; F495-L497 PolarHBondContact O-N 3.13Å; F495-Q498 PolarHBondContact O-N 3.09Å; F495-S499 WeakPolarHBondContact CZ-OG 3.39Å; F495-S499 WeakPolarHBondContact O-CB 3.43Å; F495-S499 PolarHBondContact O-N 3.21Å; F495-S499 PolarHBondContact O-OG 3.42Å; F495-Q621 HydrophobicContact CD2-CG 4.05Å; F495-Q621 HydrophobicContact CG-CG 4.42Å; F495-E625 HydrophobicContact CD2-CG 3.75Å; F495-E625 HydrophobicContact CE2-CG 3.94Å; F495-M628 HydrophobicContact CE2-SD 4.09Å; F495-M628 HydrophobicContact CZ-SD 4.03Å |
| 496 | Q | 91.8 | Very high | 89.1 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.028 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.8 | -48.5 | 179 | -60.9 | -53.8 | -40.5 | 0 | 0 | 111.5 | T491 N492 N493 C500 T501 A504 I513 L514 | T491-Q496 PolarHBondContact OG1-NE2 3.22Å; N492-Q496 PolarHBondContact O-N 2.84Å; N492-Q496 VanDerWaalsContact O-N 3.15Å; N493-Q496 PolarHBondContact O-N 3.27Å; Q496-C500 PolarHBondContact O-N 2.83Å; Q496-C500 VanDerWaalsContact O-N 3.17Å; Q496-T501 PolarHBondContact O-N 2.95Å; Q496-T501 VanDerWaalsContact O-N 3.13Å; Q496-T501 PolarHBondContact O-OG1 2.95Å; Q496-T501 VanDerWaalsContact OE1-CG2 3.28Å; Q496-T501 PolarHBondContact OE1-OG1 2.9Å; Q496-A504 HydrophobicContact CB-CB 4.37Å; Q496-A504 VanDerWaalsContact O-CB 3.27Å; Q496-A504 WeakPolarHBondContact O-CB 3.4Å; Q496-I513 HydrophobicContact CB-CD1 4.45Å; Q496-I513 HydrophobicContact CB-CG2 4.26Å; Q496-I513 HydrophobicContact CG-CG2 4.43Å; Q496-L514 HydrophobicContact CG-CD1 4.41Å; Q496-L514 HydrophobicContact CG-CD2 3.97Å; Q496-L514 HydrophobicContact CG-CG 4.09Å |
| 497 | L | 89.7 | Confident | 88.4 | Confident | 94 Ų | 94 | 49.8 Ų | 49.8 | 49% | 0.492 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.6 | -54.6 | 178.6 | -78.7 | 166.7 | 0 | 0 | 0 | 111.9 | N493 A494 F495 S499 C500 I513 | N493-L497 PolarHBondContact O-N 3.28Å; N493-L497 VanDerWaalsContact O-N 3.17Å; A494-L497 PolarHBondContact O-N 3.08Å; F495-L497 VanDerWaalsContact C-N 3.33Å; F495-L497 PolarHBondContact O-N 3.13Å; L497-S499 VanDerWaalsContact C-N 3.26Å; L497-S499 PolarHBondContact O-N 3.27Å; L497-C500 PolarHBondContact O-N 3.48Å; L497-I513 HydrophobicContact CD1-CD1 4.15Å; L497-I513 HydrophobicContact CD2-CD1 3.52Å; L497-I513 HydrophobicContact CG-CD1 3.44Å; L497-I513 VanDerWaalsContact CG-CD1 3.44Å |
| 498 | Q | 88.9 | Confident | 87.5 | Confident | 106 Ų | 106 | 54.2 Ų | 54.2 | 50% | 0.495 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | -175.8 | -69.6 | 176.2 | 12.5 | 0 | 0 | 111 | A494 F495 C500 R630 | A494-Q498 WeakPolarHBondContact O-CB 3.47Å; A494-Q498 VanDerWaalsContact O-CG 3.25Å; A494-Q498 WeakPolarHBondContact O-CG 3.16Å; A494-Q498 PolarHBondContact O-N 3.47Å; F495-Q498 PolarHBondContact O-N 3.09Å; Q498-C500 PolarHBondContact O-N 3.25Å; Q498-R630 VanDerWaalsContact O-CZ 3.25Å; Q498-R630 PolarHBondContact O-NH1 3.49Å; Q498-R630 PolarHBondContact O-NH2 3.08Å |
| 499 | S | 86.4 | Confident | 86.3 | Confident | 25 Ų | 25 | 60.8 Ų | 60.8 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 0.5 | 178.8 | -60.9 | 0 | 0 | 0 | 0 | 113.7 | F495 L497 T501 R630 | F495-S499 WeakPolarHBondContact CZ-OG 3.39Å; F495-S499 WeakPolarHBondContact O-CB 3.43Å; F495-S499 PolarHBondContact O-N 3.21Å; F495-S499 PolarHBondContact O-OG 3.42Å; L497-S499 VanDerWaalsContact C-N 3.26Å; L497-S499 PolarHBondContact O-N 3.27Å; S499-T501 PolarHBondContact O-N 2.82Å; S499-T501 VanDerWaalsContact O-N 3.16Å; S499-R630 VanDerWaalsContact N-NH1 3.15Å; S499-R630 PolarHBondContact OG-NH1 2.96Å |
| 500 | C | 84 | Confident | 84.9 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 57% | 0.574 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.6 | 42.3 | -178.6 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | Q496 L497 Q498 Q505 | Q496-C500 PolarHBondContact O-N 2.83Å; Q496-C500 VanDerWaalsContact O-N 3.17Å; L497-C500 PolarHBondContact O-N 3.48Å; Q498-C500 PolarHBondContact O-N 3.25Å; C500-Q505 PolarHBondContact O-NE2 3.49Å |
| 501 | T | 84.1 | Confident | 83.8 | Confident | 32 Ų | 32 | 63.7 Ų | 63.7 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | trans | -64.1 | 164 | -175.9 | 69.7 | 0 | 0 | 0 | 0 | 110.9 | Q496 S499 L503 A504 Q505 | Q496-T501 PolarHBondContact O-N 2.95Å; Q496-T501 VanDerWaalsContact O-N 3.13Å; Q496-T501 PolarHBondContact O-OG1 2.95Å; Q496-T501 VanDerWaalsContact OE1-CG2 3.28Å; Q496-T501 PolarHBondContact OE1-OG1 2.9Å; S499-T501 PolarHBondContact O-N 2.82Å; S499-T501 VanDerWaalsContact O-N 3.16Å; T501-L503 PolarHBondContact O-N 2.85Å; T501-A504 WeakPolarHBondContact O-CB 3.41Å; T501-A504 PolarHBondContact O-N 2.65Å; T501-A504 PolarHBondContact OG1-N 3.36Å; T501-Q505 WeakPolarHBondContact O-CG 3.07Å; T501-Q505 PolarHBondContact O-N 3.43Å | ||
| 502 | R | 81.2 | Confident | 83.5 | Confident | 190 Ų | 190 | 64.8 Ų | 64.8 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -56.8 | -35.3 | 174.6 | -82.4 | 174.3 | 178.7 | 143.7 | 0.9 | 112.5 | Q505 L506 | R502-Q505 PolarHBondContact O-N 2.93Å; R502-L506 VanDerWaalsContact O-CG 3.26Å; R502-L506 WeakPolarHBondContact O-CG 3.44Å; R502-L506 PolarHBondContact O-N 3.36Å; R502-L506 VanDerWaalsContact O-N 3.08Å |
| 503 | L | 85.2 | Confident | 83.4 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 175.4 | -63.3 | -177.8 | 0 | 0 | 0 | 110.9 | L360 T501 Q505 L506 F507 I513 L514 H517 | L360-L503 HydrophobicContact CD1-CD2 4.12Å; T501-L503 PolarHBondContact O-N 2.85Å; L503-Q505 VanDerWaalsContact C-N 3.31Å; L503-Q505 PolarHBondContact O-N 2.76Å; L503-L506 PolarHBondContact O-N 2.78Å; L503-L506 VanDerWaalsContact O-N 3.16Å; L503-F507 HydrophobicContact CD2-CE2 4.32Å; L503-F507 PolarHBondContact O-N 2.85Å; L503-I513 HydrophobicContact CB-CG2 3.8Å; L503-L514 HydrophobicContact CD1-CD2 4.08Å; L503-H517 HydrophobicContact CD2-CB 4.18Å; L503-H517 WeakPolarHBondContact CD2-ND1 3.25Å |
| 504 | A | 84.7 | Confident | 83.4 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 5% | 0.05 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q496 T501 L506 N508 I513 | Q496-A504 HydrophobicContact CB-CB 4.37Å; Q496-A504 VanDerWaalsContact O-CB 3.27Å; Q496-A504 WeakPolarHBondContact O-CB 3.4Å; T501-A504 WeakPolarHBondContact O-CB 3.41Å; T501-A504 PolarHBondContact O-N 2.65Å; T501-A504 PolarHBondContact OG1-N 3.36Å; A504-L506 VanDerWaalsContact C-N 3.28Å; A504-L506 PolarHBondContact O-N 2.83Å; A504-N508 WeakPolarHBondContact O-CA 3.44Å; A504-N508 WeakPolarHBondContact O-CB 3.44Å; A504-N508 PolarHBondContact O-N 2.87Å; A504-I513 HydrophobicContact CB-CD1 4.04Å |
| 505 | Q | 79.5 | Confident | 83.6 | Confident | 141 Ų | 141 | 60 Ų | 60 | 66% | 0.659 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.9 | -30.9 | 176.5 | -67.9 | 174.4 | 4.3 | 0 | 0 | 113.2 | C500 T501 R502 L503 | C500-Q505 PolarHBondContact O-NE2 3.49Å; T501-Q505 WeakPolarHBondContact O-CG 3.07Å; T501-Q505 PolarHBondContact O-N 3.43Å; R502-Q505 PolarHBondContact O-N 2.93Å; L503-Q505 VanDerWaalsContact C-N 3.31Å; L503-Q505 PolarHBondContact O-N 2.76Å |
| 506 | L | 75.1 | Confident | 83.6 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 35% | 0.346 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -83.7 | -43.4 | -179 | -70.5 | 167.9 | 0 | 0 | 0 | 112.7 | S356 L360 R502 L503 A504 | S356-L506 WeakPolarHBondContact OG-CD2 3.42Å; L360-L506 HydrophobicContact CD1-CD1 3.48Å; L360-L506 VanDerWaalsContact CD1-CD1 3.48Å; R502-L506 VanDerWaalsContact O-CG 3.26Å; R502-L506 WeakPolarHBondContact O-CG 3.44Å; R502-L506 PolarHBondContact O-N 3.36Å; R502-L506 VanDerWaalsContact O-N 3.08Å; L503-L506 PolarHBondContact O-N 2.78Å; L503-L506 VanDerWaalsContact O-N 3.16Å; A504-L506 VanDerWaalsContact C-N 3.28Å; A504-L506 PolarHBondContact O-N 2.83Å |
| 507 | F | 80.6 | Confident | 83.6 | Confident | 14 Ų | 14 | 59 Ų | 59 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -112.9 | 3.6 | -167.9 | -59.3 | -63.9 | 0 | 0 | 0 | 114.7 | L503 N509 E510 I513 C516 H517 T520 | L503-F507 HydrophobicContact CD2-CE2 4.32Å; L503-F507 PolarHBondContact O-N 2.85Å; F507-N509 PolarHBondContact O-N 2.99Å; F507-E510 PolarHBondContact O-N 3.29Å; F507-I513 HydrophobicContact CB-CB 4.46Å; F507-I513 HydrophobicContact CB-CG1 4.35Å; F507-I513 HydrophobicContact CB-CG2 4.28Å; F507-C516 HydrophobicContact CB-CB 4.21Å; F507-C516 HydrophobicContact CD1-CB 3.82Å; F507-C516 HydrophobicContact CE1-CB 4.31Å; F507-C516 HydrophobicContact CG-CB 3.97Å; F507-H517 HydrophobicContact CD2-CB 4.18Å; F507-H517 HydrophobicContact CE2-CB 3.79Å; F507-T520 HydrophobicContact CZ-CG2 4.48Å; F507-T520 WeakPolarHBondContact CZ-OG1 3.43Å |
| 508 | N | 73.7 | Confident | 83.8 | Confident | 94 Ų | 94 | 54.6 Ų | 54.6 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -40.9 | -46.8 | 178.2 | 138.4 | 20.9 | 0 | 0 | 0 | 113.2 | A504 E510 | A504-N508 WeakPolarHBondContact O-CA 3.44Å; A504-N508 WeakPolarHBondContact O-CB 3.44Å; A504-N508 PolarHBondContact O-N 2.87Å; N508-E510 VanDerWaalsContact C-N 3.26Å; N508-E510 PolarHBondContact O-N 2.81Å |
| 509 | N | 70.2 | Confident | 84.1 | Confident | 150 Ų | 150 | 50 Ų | 50 | 80% | 0.802 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -74.1 | -13.3 | -171.8 | -64.2 | -19 | 0 | 0 | 0 | 114 | F507 | F507-N509 PolarHBondContact O-N 2.99Š|
| 510 | E | 66 | Low | 84.3 | Confident | 126 Ų | 126 | 49.4 Ų | 49.4 | 59% | 0.589 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -93.7 | -14.8 | -174 | -60.6 | -146.2 | 170.2 | 0 | 0 | 113.6 | F507 N508 C516 | F507-E510 PolarHBondContact O-N 3.29Å; N508-E510 VanDerWaalsContact C-N 3.26Å; N508-E510 PolarHBondContact O-N 2.81Å; E510-C516 PolarHBondContact OE2-SG 3.09Å; E510-C516 VanDerWaalsContact OE2-SG 3.35Å |
| 511 | G | 71.1 | Confident | 84.7 | Confident | 38 Ų | 38 | 45.4 Ų | 45.4 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 69.1 | 160 | -163 | 0 | 0 | 0 | 0 | 0 | 111.2 | I513 | G511-I513 PolarHBondContact O-N 3.38Š|
| 512 | S | 88.5 | Confident | 85.1 | Confident | 33 Ų | 33 | 43.9 Ų | 43.9 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | trans | 53 | 60.2 | 175.8 | -51.7 | 0 | 0 | 0 | 0 | 113.3 | L514 E515 C516 D557 | S512-L514 VanDerWaalsContact C-N 3.3Å; S512-L514 PolarHBondContact O-N 3.11Å; S512-E515 VanDerWaalsContact CA-OE2 3.27Å; S512-E515 WeakPolarHBondContact CA-OE2 3.27Å; S512-E515 VanDerWaalsContact CB-OE2 3.26Å; S512-E515 WeakPolarHBondContact CB-OE2 3.47Å; S512-E515 PolarHBondContact O-N 2.93Å; S512-E515 VanDerWaalsContact O-N 3.15Å; S512-C516 PolarHBondContact O-N 3.38Å; S512-D557 VanDerWaalsContact CB-OD2 3.27Å; S512-D557 WeakPolarHBondContact CB-OD2 3.41Å; S512-D557 PolarHBondContact OG-OD2 3.09Å | ||
| 513 | I | 91.1 | Very high | 85.6 | Confident | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.9 | -45.2 | -169.9 | -72 | 158 | 0 | 0 | 0 | 112.3 | N493 Q496 L497 L503 A504 F507 G511 H517 | N493-I513 PolarHBondContact OD1-N 3.42Å; Q496-I513 HydrophobicContact CB-CD1 4.45Å; Q496-I513 HydrophobicContact CB-CG2 4.26Å; Q496-I513 HydrophobicContact CG-CG2 4.43Å; L497-I513 HydrophobicContact CD1-CD1 4.15Å; L497-I513 HydrophobicContact CD2-CD1 3.52Å; L497-I513 HydrophobicContact CG-CD1 3.44Å; L497-I513 VanDerWaalsContact CG-CD1 3.44Å; L503-I513 HydrophobicContact CB-CG2 3.8Å; A504-I513 HydrophobicContact CB-CD1 4.04Å; F507-I513 HydrophobicContact CB-CB 4.46Å; F507-I513 HydrophobicContact CB-CG1 4.35Å; F507-I513 HydrophobicContact CB-CG2 4.28Å; G511-I513 PolarHBondContact O-N 3.38Å; I513-H517 PolarHBondContact O-N 2.8Å; I513-H517 VanDerWaalsContact O-N 3.15Å |
| 514 | L | 94.7 | Very high | 85.7 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.2 | -42.7 | -178.5 | -71.8 | 171.3 | 0 | 0 | 0 | 110.7 | T491 N493 Q496 L503 S512 C516 H517 H518 | T491-L514 VanDerWaalsContact O-CD1 3.23Å; T491-L514 WeakPolarHBondContact O-CD1 3.48Å; N493-L514 WeakPolarHBondContact OD1-CB 3.49Å; N493-L514 VanDerWaalsContact OD1-CG 3.25Å; N493-L514 WeakPolarHBondContact OD1-CG 3.38Å; N493-L514 PolarHBondContact OD1-N 3.5Å; Q496-L514 HydrophobicContact CG-CD1 4.41Å; Q496-L514 HydrophobicContact CG-CD2 3.97Å; Q496-L514 HydrophobicContact CG-CG 4.09Å; L503-L514 HydrophobicContact CD1-CD2 4.08Å; S512-L514 VanDerWaalsContact C-N 3.3Å; S512-L514 PolarHBondContact O-N 3.11Å; L514-C516 PolarHBondContact O-N 3.34Å; L514-H517 CarbonylContact O-C 3.47Å; L514-H517 WeakPolarHBondContact O-CA 3.39Å; L514-H517 VanDerWaalsContact O-CB 3.27Å; L514-H517 WeakPolarHBondContact O-CB 3.39Å; L514-H517 PolarHBondContact O-N 3.2Å; L514-H518 PolarHBondContact O-CD2 3.5Å; L514-H518 PolarHBondContact O-N 3.27Å; L514-H518 PolarHBondContact O-ND1 3.09Å; L514-H518 PolarHBondContact O-NE2 3.27Å |
| 515 | E | 96 | Very high | 86 | Confident | 18 Ų | 18 | 38 Ų | 38 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.9 | -38.6 | -179.4 | -62.5 | 76.4 | -173.8 | 0 | 0 | 111.7 | N493 S512 H517 H518 F519 I553 D557 | N493-E515 PolarHBondContact ND2-OE1 3.31Å; N493-E515 PolarHBondContact ND2-OE2 2.96Å; S512-E515 VanDerWaalsContact CA-OE2 3.27Å; S512-E515 WeakPolarHBondContact CA-OE2 3.27Å; S512-E515 VanDerWaalsContact CB-OE2 3.26Å; S512-E515 WeakPolarHBondContact CB-OE2 3.47Å; S512-E515 PolarHBondContact O-N 2.93Å; S512-E515 VanDerWaalsContact O-N 3.15Å; E515-H517 VanDerWaalsContact C-N 3.3Å; E515-H517 PolarHBondContact O-N 3.06Å; E515-H518 PolarHBondContact O-N 2.98Å; E515-F519 PolarHBondContact O-N 3.2Å; E515-I553 WeakPolarHBondContact O-CG2 3.22Å; E515-D557 HydrophobicContact CG-CB 3.96Å; E515-D557 WeakPolarHBondContact OE1-CB 3.34Å |
| 516 | C | 92.4 | Very high | 86.6 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 169.9 | -74.3 | 0 | 0 | 0 | 0 | 112.1 | F507 E510 S512 L514 T520 | F507-C516 HydrophobicContact CB-CB 4.21Å; F507-C516 HydrophobicContact CD1-CB 3.82Å; F507-C516 HydrophobicContact CE1-CB 4.31Å; F507-C516 HydrophobicContact CG-CB 3.97Å; E510-C516 PolarHBondContact OE2-SG 3.09Å; E510-C516 VanDerWaalsContact OE2-SG 3.35Å; S512-C516 PolarHBondContact O-N 3.38Å; L514-C516 PolarHBondContact O-N 3.34Å; C516-T520 WeakPolarHBondContact O-CB 3.36Å; C516-T520 PolarHBondContact O-N 2.92Å; C516-T520 PolarHBondContact O-OG1 3Å |
| 517 | H | 92.5 | Very high | 87.1 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.7 | -46.1 | 174.1 | 174.1 | 69.5 | 0 | 0 | 0 | 112.2 | D487 L503 F507 I513 L514 E515 F519 T520 Q521 | D487-H517 IonicContact OD2-CD2 3.79Å; D487-H517 IonicContact OD2-CE1 3.55Å; D487-H517 PolarHBondContact OD2-CE1 2.76Å; D487-H517 VanDerWaalsContact OD2-CE1 3.31Å; D487-H517 IonicContact OD2-NE2 3.31Å; D487-H517 PolarHBondContact OD2-NE2 3.13Å; L503-H517 HydrophobicContact CD2-CB 4.18Å; L503-H517 WeakPolarHBondContact CD2-ND1 3.25Å; F507-H517 HydrophobicContact CD2-CB 4.18Å; F507-H517 HydrophobicContact CE2-CB 3.79Å; I513-H517 PolarHBondContact O-N 2.8Å; I513-H517 VanDerWaalsContact O-N 3.15Å; L514-H517 CarbonylContact O-C 3.47Å; L514-H517 WeakPolarHBondContact O-CA 3.39Å; L514-H517 VanDerWaalsContact O-CB 3.27Å; L514-H517 WeakPolarHBondContact O-CB 3.39Å; L514-H517 PolarHBondContact O-N 3.2Å; E515-H517 VanDerWaalsContact C-N 3.3Å; E515-H517 PolarHBondContact O-N 3.06Å; H517-F519 VanDerWaalsContact C-N 3.32Å; H517-F519 PolarHBondContact O-N 3.03Å; H517-T520 CarbonylContact O-C 3.59Å; H517-T520 WeakPolarHBondContact O-CA 3.24Å; H517-T520 VanDerWaalsContact O-CB 3.3Å; H517-T520 WeakPolarHBondContact O-CB 3.37Å; H517-T520 PolarHBondContact O-N 3.38Å; H517-Q521 PolarHBondContact CE1-NE2 2.82Å; H517-Q521 WeakPolarHBondContact O-CG 3.32Å; H517-Q521 PolarHBondContact O-N 3.42Å |
| 518 | H | 94.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.6 | -43.6 | 177.1 | -57.1 | -36.5 | 0 | 0 | 0 | 111.2 | H484 D485 M486 H488 L514 E515 T520 Q521 A522 I553 | H484-H518 WeakPolarHBondContact O-CB 3.38Å; H484-H518 PolarHBondContact O-CD2 2.9Å; D485-H518 IonicContact OD1-CD2 2.66Å; D485-H518 IonicContact OD1-NE2 3.64Å; M486-H518 PolarHBondContact O-CE1 3.37Å; M486-H518 PolarHBondContact O-ND1 3.37Å; H488-H518 AromaticContact CD2-CE1 3.97Å; H488-H518 AromaticContact CD2-NE2 3.73Å; L514-H518 PolarHBondContact O-CD2 3.5Å; L514-H518 PolarHBondContact O-N 3.27Å; L514-H518 PolarHBondContact O-ND1 3.09Å; L514-H518 PolarHBondContact O-NE2 3.27Å; E515-H518 PolarHBondContact O-N 2.98Å; H518-T520 VanDerWaalsContact C-N 3.34Å; H518-T520 PolarHBondContact O-N 3.27Å; H518-Q521 WeakPolarHBondContact O-CB 3.23Å; H518-Q521 PolarHBondContact O-N 3.08Å; H518-A522 PolarHBondContact O-N 3.07Å; H518-I553 HydrophobicContact CB-CG2 3.97Å |
| 519 | F | 94.6 | Very high | 88 | Confident | 10 Ų | 10 | 33.7 Ų | 33.7 | 4% | 0.044 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -38.9 | 172.9 | 174.9 | -111.3 | 0 | 0 | 0 | 112.4 | E515 H517 Q521 A522 M523 M546 I549 R550 I553 | E515-F519 PolarHBondContact O-N 3.2Å; H517-F519 VanDerWaalsContact C-N 3.32Å; H517-F519 PolarHBondContact O-N 3.03Å; F519-Q521 VanDerWaalsContact C-N 3.3Å; F519-Q521 PolarHBondContact O-N 2.82Å; F519-A522 WeakPolarHBondContact O-CB 3.25Å; F519-A522 PolarHBondContact O-N 2.99Å; F519-A522 VanDerWaalsContact O-N 3.14Å; F519-M523 HydrophobicContact CD1-CG 4.29Å; F519-M523 HydrophobicContact CD1-SD 4.04Å; F519-M523 HydrophobicContact CD2-CG 4.38Å; F519-M523 HydrophobicContact CE1-CG 3.72Å; F519-M523 HydrophobicContact CE1-SD 3.21Å; F519-M523 WeakPolarHBondContact CE1-SD 3.47Å; F519-M523 HydrophobicContact CE2-CG 3.82Å; F519-M523 HydrophobicContact CE2-SD 4.35Å; F519-M523 HydrophobicContact CZ-CG 3.45Å; F519-M523 VanDerWaalsContact CZ-CG 3.45Å; F519-M523 HydrophobicContact CZ-SD 3.4Å; F519-M523 WeakPolarHBondContact CZ-SD 3.45Å; F519-M523 WeakPolarHBondContact O-CG 3.46Å; F519-M523 PolarHBondContact O-N 3.03Å; F519-M546 HydrophobicContact CE2-CE 4.01Å; F519-M546 HydrophobicContact CZ-CE 4.26Å; F519-I549 HydrophobicContact CD2-CG2 4.16Å; F519-I549 HydrophobicContact CE2-CG2 4.21Å; F519-R550 HydrophobicContact CD1-CB 4.25Å; F519-R550 HydrophobicContact CD1-CG 3.88Å; F519-R550 VanDerWaalsContact CD2-CA 3.44Å; F519-R550 HydrophobicContact CD2-CB 3.81Å; F519-R550 HydrophobicContact CD2-CG 4.25Å; F519-R550 HydrophobicContact CE1-CB 3.97Å; F519-R550 HydrophobicContact CE1-CG 3.83Å; F519-R550 HydrophobicContact CE2-CB 3.5Å; F519-R550 VanDerWaalsContact CE2-CB 3.5Å; F519-R550 HydrophobicContact CE2-CG 4.21Å; F519-R550 HydrophobicContact CG-CB 4.17Å; F519-R550 HydrophobicContact CG-CG 4.09Å; F519-R550 HydrophobicContact CZ-CB 3.59Å; F519-R550 HydrophobicContact CZ-CG 4Å; F519-I553 HydrophobicContact CB-CD1 4.41Å; F519-I553 HydrophobicContact CB-CG2 4.18Å; F519-I553 HydrophobicContact CD2-CD1 4.37Å |
| 520 | T | 91.1 | Very high | 88.9 | Confident | 13 Ų | 13 | 29.5 Ų | 29.5 | 8% | 0.08 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.1 | -38.6 | 175.1 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | T357 F507 C516 H517 H518 M523 A524 | T357-T520 HydrophobicContact CG2-CG2 3.66Å; F507-T520 HydrophobicContact CZ-CG2 4.48Å; F507-T520 WeakPolarHBondContact CZ-OG1 3.43Å; C516-T520 WeakPolarHBondContact O-CB 3.36Å; C516-T520 PolarHBondContact O-N 2.92Å; C516-T520 PolarHBondContact O-OG1 3Å; H517-T520 CarbonylContact O-C 3.59Å; H517-T520 WeakPolarHBondContact O-CA 3.24Å; H517-T520 VanDerWaalsContact O-CB 3.3Å; H517-T520 WeakPolarHBondContact O-CB 3.37Å; H517-T520 PolarHBondContact O-N 3.38Å; H518-T520 VanDerWaalsContact C-N 3.34Å; H518-T520 PolarHBondContact O-N 3.27Å; T520-M523 PolarHBondContact O-N 3.35Å; T520-A524 PolarHBondContact O-N 3.36Å; T520-A524 VanDerWaalsContact O-N 3.09Å |
| 521 | Q | 91 | Very high | 90.1 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 171.9 | -62.3 | -54.9 | -52.9 | 0 | 0 | 111.4 | A361 M486 D487 H517 H518 F519 M523 A524 V525 | A361-Q521 VanDerWaalsContact CA-OE1 3.3Å; M486-Q521 HydrophobicContact CB-CB 4.01Å; M486-Q521 VanDerWaalsContact CE-C 3.46Å; M486-Q521 HydrophobicContact CE-CB 3.75Å; D487-Q521 HydrophobicContact CB-CG 4.08Å; H517-Q521 PolarHBondContact CE1-NE2 2.82Å; H517-Q521 WeakPolarHBondContact O-CG 3.32Å; H517-Q521 PolarHBondContact O-N 3.42Å; H518-Q521 WeakPolarHBondContact O-CB 3.23Å; H518-Q521 PolarHBondContact O-N 3.08Å; F519-Q521 VanDerWaalsContact C-N 3.3Å; F519-Q521 PolarHBondContact O-N 2.82Å; Q521-M523 VanDerWaalsContact C-N 3.34Å; Q521-M523 PolarHBondContact O-N 3.24Å; Q521-A524 WeakPolarHBondContact O-CB 3.36Å; Q521-A524 PolarHBondContact O-N 3.49Å; Q521-A524 VanDerWaalsContact O-N 3.14Å; Q521-V525 PolarHBondContact O-N 2.67Å; Q521-V525 VanDerWaalsContact O-N 3.15Å |
| 522 | A | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C483 M486 H518 F519 A524 V525 M526 I549 I553 | C483-A522 HydrophobicContact CB-CB 3.85Å; M486-A522 HydrophobicContact CE-CB 3.69Å; H518-A522 PolarHBondContact O-N 3.07Å; F519-A522 WeakPolarHBondContact O-CB 3.25Å; F519-A522 PolarHBondContact O-N 2.99Å; F519-A522 VanDerWaalsContact O-N 3.14Å; A522-A524 VanDerWaalsContact C-N 3.34Å; A522-A524 PolarHBondContact O-N 3.27Å; A522-V525 PolarHBondContact O-N 3.02Å; A522-M526 WeakPolarHBondContact O-CB 3.44Å; A522-M526 VanDerWaalsContact O-CG 3.28Å; A522-M526 WeakPolarHBondContact O-CG 3.24Å; A522-M526 PolarHBondContact O-N 3.41Å; A522-I549 HydrophobicContact CB-CG2 4.5Å; A522-I553 HydrophobicContact CB-CD1 4Å |
| 523 | M | 91.7 | Very high | 91.7 | Very high | 53 Ų | 53 | 21.3 Ų | 21.3 | 26% | 0.261 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -58.1 | -45.2 | 173.3 | -75.4 | -169.2 | 65.2 | 0 | 0 | 111.8 | F519 T520 Q521 V525 M526 H527 M546 | F519-M523 HydrophobicContact CD1-CG 4.29Å; F519-M523 HydrophobicContact CD1-SD 4.04Å; F519-M523 HydrophobicContact CD2-CG 4.38Å; F519-M523 HydrophobicContact CE1-CG 3.72Å; F519-M523 HydrophobicContact CE1-SD 3.21Å; F519-M523 WeakPolarHBondContact CE1-SD 3.47Å; F519-M523 HydrophobicContact CE2-CG 3.82Å; F519-M523 HydrophobicContact CE2-SD 4.35Å; F519-M523 HydrophobicContact CZ-CG 3.45Å; F519-M523 VanDerWaalsContact CZ-CG 3.45Å; F519-M523 HydrophobicContact CZ-SD 3.4Å; F519-M523 WeakPolarHBondContact CZ-SD 3.45Å; F519-M523 WeakPolarHBondContact O-CG 3.46Å; F519-M523 PolarHBondContact O-N 3.03Å; T520-M523 PolarHBondContact O-N 3.35Å; Q521-M523 VanDerWaalsContact C-N 3.34Å; Q521-M523 PolarHBondContact O-N 3.24Å; M523-V525 VanDerWaalsContact C-N 3.34Å; M523-V525 PolarHBondContact O-N 2.92Å; M523-M526 PolarHBondContact O-N 3.49Å; M523-H527 WeakPolarHBondContact O-CB 3.5Å; M523-H527 PolarHBondContact O-CD2 2.85Å; M523-H527 PolarHBondContact O-N 2.88Å; M523-M546 HydrophobicContact CB-CE 4.39Å; M523-M546 HydrophobicContact CG-CE 3.6Å |
| 524 | A | 87.7 | Confident | 92 | Very high | 25 Ų | 25 | 21.1 Ų | 21.1 | 21% | 0.207 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | T357 T520 Q521 A522 A528 | T357-A524 HydrophobicContact CG2-CB 4.2Å; T520-A524 PolarHBondContact O-N 3.36Å; T520-A524 VanDerWaalsContact O-N 3.09Å; Q521-A524 WeakPolarHBondContact O-CB 3.36Å; Q521-A524 PolarHBondContact O-N 3.49Å; Q521-A524 VanDerWaalsContact O-N 3.14Å; A522-A524 VanDerWaalsContact C-N 3.34Å; A522-A524 PolarHBondContact O-N 3.27Å; A524-A528 PolarHBondContact O-N 3.47Å |
| 525 | V | 90.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.1 | -43.6 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | T363 F429 K432 V433 Q521 A522 M523 H527 A528 S531 | T363-V525 HydrophobicContact CG2-CG2 3.61Å; F429-V525 HydrophobicContact CD2-CG1 3.72Å; F429-V525 HydrophobicContact CE2-CG1 4.15Å; K432-V525 HydrophobicContact CB-CG1 3.89Å; K432-V525 HydrophobicContact CB-CG2 4.28Å; K432-V525 HydrophobicContact CD-CG1 4.24Å; V433-V525 HydrophobicContact CG2-CG1 4.36Å; Q521-V525 PolarHBondContact O-N 2.67Å; Q521-V525 VanDerWaalsContact O-N 3.15Å; A522-V525 PolarHBondContact O-N 3.02Å; M523-V525 VanDerWaalsContact C-N 3.34Å; M523-V525 PolarHBondContact O-N 2.92Å; V525-H527 VanDerWaalsContact C-N 3.34Å; V525-H527 PolarHBondContact O-N 2.85Å; V525-A528 PolarHBondContact O-N 2.79Å; V525-S531 PolarHBondContact O-OG 3.05Å |
| 526 | M | 91.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -74 | -22 | -176.8 | -70.7 | -62.8 | -65.9 | 0 | 0 | 113.7 | F429 A522 M523 N532 I533 F534 M546 | F429-M526 HydrophobicContact CD2-SD 3.74Å; F429-M526 HydrophobicContact CE2-CG 4.36Å; F429-M526 HydrophobicContact CE2-SD 3.57Å; F429-M526 VanDerWaalsContact CE2-SD 3.57Å; A522-M526 WeakPolarHBondContact O-CB 3.44Å; A522-M526 VanDerWaalsContact O-CG 3.28Å; A522-M526 WeakPolarHBondContact O-CG 3.24Å; A522-M526 PolarHBondContact O-N 3.41Å; M523-M526 PolarHBondContact O-N 3.49Å; M526-N532 WeakPolarHBondContact O-CB 3.4Å; M526-N532 PolarHBondContact O-ND2 2.94Å; M526-N532 PolarHBondContact O-OD1 3.15Å; M526-I533 HydrophobicContact CE-CG1 3.76Å; M526-I533 HydrophobicContact SD-CG1 3.95Å; M526-F534 HydrophobicContact CE-CB 4.07Å; M526-F534 HydrophobicContact CE-CD2 3.33Å; M526-F534 HydrophobicContact CE-CE2 3.92Å; M526-F534 HydrophobicContact CE-CG 3.84Å; M526-M546 HydrophobicContact CB-CE 4.37Å; M526-M546 HydrophobicContact CB-SD 4.17Å; M526-M546 HydrophobicContact CG-SD 4.36Å |
| 527 | H | 86.2 | Confident | 92.3 | Very high | 107 Ų | 107 | 29.1 Ų | 29.1 | 50% | 0.495 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -85.8 | -17.3 | 175 | -81.6 | -66.9 | 0 | 0 | 0 | 113.5 | M523 V525 P529 | M523-H527 WeakPolarHBondContact O-CB 3.5Å; M523-H527 PolarHBondContact O-CD2 2.85Å; M523-H527 PolarHBondContact O-N 2.88Å; V525-H527 VanDerWaalsContact C-N 3.34Å; V525-H527 PolarHBondContact O-N 2.85Å; H527-P529 WeakPolarHBondContact O-CD 3.45Å |
| 528 | A | 85 | Confident | 92.5 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 14% | 0.14 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -71.1 | 123 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | A524 V525 E530 S531 N532 | A524-A528 PolarHBondContact O-N 3.47Å; V525-A528 PolarHBondContact O-N 2.79Å; A528-E530 PolarHBondContact O-N 2.91Å; A528-E530 VanDerWaalsContact O-N 3.09Å; A528-S531 PolarHBondContact O-N 3.39Å; A528-N532 PolarHBondContact O-N 3.35Å |
| 529 | P | 87.8 | Confident | 92.4 | Very high | 100 Ų | 100 | 40.3 Ų | 40.3 | 65% | 0.649 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -33.5 | -171.6 | -28.5 | 35.2 | 0 | 0 | 0 | 115.1 | K425 H527 | K425-P529 WeakPolarHBondContact CE-O 3.18Å; H527-P529 WeakPolarHBondContact O-CD 3.45Å |
| 530 | E | 89.2 | Confident | 92.5 | Very high | 63 Ų | 63 | 43.5 Ų | 43.5 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -16.2 | -176.8 | 73.7 | -75.3 | 178.8 | 0 | 0 | 114.4 | R428 K432 A528 | R428-E530 WeakPolarHBondContact CB-O 3.38Å; R428-E530 VanDerWaalsContact CD-O 3.23Å; R428-E530 WeakPolarHBondContact CD-O 3.46Å; K432-E530 WeakPolarHBondContact CE-OE1 3.47Å; K432-E530 IonicContact NZ-OE1 3.28Å; K432-E530 PolarHBondContact NZ-OE1 3.05Å; A528-E530 PolarHBondContact O-N 2.91Å; A528-E530 VanDerWaalsContact O-N 3.09Å |
| 531 | S | 92.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -1.5 | 177 | 50.8 | 0 | 0 | 0 | 0 | 113.9 | V525 A528 I533 | V525-S531 PolarHBondContact O-OG 3.05Å; A528-S531 PolarHBondContact O-N 3.39Å; S531-I533 PolarHBondContact O-N 3.25Å |
| 532 | N | 94.7 | Very high | 93.1 | Very high | 23 Ų | 23 | 47.7 Ų | 47.7 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | trans | -69.6 | 91.9 | 174.4 | -173.3 | -4.3 | 0 | 0 | 0 | 111.3 | K425 M526 A528 F534 S535 | K425-N532 WeakPolarHBondContact CD-O 3.46Å; M526-N532 WeakPolarHBondContact O-CB 3.4Å; M526-N532 PolarHBondContact O-ND2 2.94Å; M526-N532 PolarHBondContact O-OD1 3.15Å; A528-N532 PolarHBondContact O-N 3.35Å; N532-F534 PolarHBondContact O-N 3.23Å; N532-F534 WeakPolarHBondContact OD1-CA 3.06Å; N532-F534 PolarHBondContact OD1-N 2.9Å; N532-S535 WeakPolarHBondContact O-CB 3.4Å; N532-S535 PolarHBondContact O-N 2.83Å; N532-S535 PolarHBondContact O-OG 2.87Å; N532-S535 PolarHBondContact OD1-N 2.74Å | ||
| 533 | I | 98 | Very high | 93.1 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18 | 178.2 | 59.2 | 171.3 | 0 | 0 | 0 | 113.4 | F410 I421 K425 L426 F429 V479 M526 S531 | F410-I533 HydrophobicContact CE1-CD1 4.04Å; F410-I533 HydrophobicContact CZ-CD1 4.33Å; I421-I533 HydrophobicContact CG1-CB 4.48Å; I421-I533 WeakPolarHBondContact CG1-O 3.47Å; I421-I533 HydrophobicContact CG2-CB 3.72Å; I421-I533 HydrophobicContact CG2-CG2 3.97Å; K425-I533 HydrophobicContact CB-CG2 4.44Å; L426-I533 HydrophobicContact CB-CG2 4.2Å; L426-I533 HydrophobicContact CD1-CG2 4.18Å; F429-I533 HydrophobicContact CB-CG2 3.62Å; F429-I533 HydrophobicContact CD1-CD1 4.3Å; F429-I533 HydrophobicContact CD1-CG2 4.45Å; F429-I533 HydrophobicContact CE1-CD1 4.43Å; F429-I533 HydrophobicContact CG-CD1 4.42Å; F429-I533 HydrophobicContact CG-CG2 3.97Å; V479-I533 HydrophobicContact CG2-CD1 3.68Å; M526-I533 HydrophobicContact CE-CG1 3.76Å; M526-I533 HydrophobicContact SD-CG1 3.95Å; S531-I533 PolarHBondContact O-N 3.25Å |
| 534 | F | 97.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 19.8 | -179.9 | -64.9 | -27 | 0 | 0 | 0 | 113 | L419 I421 A475 V479 M526 N532 Q536 L537 F542 A545 I549 | L419-F534 HydrophobicContact CD1-CE1 4Å; I421-F534 HydrophobicContact CD1-CE1 4.21Å; A475-F534 HydrophobicContact CB-CE1 4.4Å; A475-F534 HydrophobicContact CB-CZ 4.28Å; V479-F534 HydrophobicContact CG2-CE2 4.47Å; V479-F534 HydrophobicContact CG2-CZ 4.06Å; M526-F534 HydrophobicContact CE-CB 4.07Å; M526-F534 HydrophobicContact CE-CD2 3.33Å; M526-F534 HydrophobicContact CE-CE2 3.92Å; M526-F534 HydrophobicContact CE-CG 3.84Å; N532-F534 PolarHBondContact O-N 3.23Å; N532-F534 WeakPolarHBondContact OD1-CA 3.06Å; N532-F534 PolarHBondContact OD1-N 2.9Å; F534-Q536 PolarHBondContact O-N 2.9Å; F534-Q536 VanDerWaalsContact O-N 3.15Å; F534-L537 HydrophobicContact CB-CD1 3.69Å; F534-L537 HydrophobicContact CB-CG 4.02Å; F534-L537 HydrophobicContact CD1-CD1 4.07Å; F534-L537 HydrophobicContact CD2-CD1 4.44Å; F534-L537 HydrophobicContact CG-CD1 3.83Å; F534-L537 WeakPolarHBondContact O-CB 3.16Å; F534-L537 PolarHBondContact O-N 3.23Å; F534-L537 VanDerWaalsContact O-N 3.13Å; F534-F542 HydrophobicContact CB-CD2 3.79Å; F534-F542 HydrophobicContact CB-CE2 4.1Å; F534-A545 HydrophobicContact CD2-CB 3.85Å; F534-A545 HydrophobicContact CE2-CB 3.87Å; F534-I549 HydrophobicContact CE2-CD1 4.07Å |
| 535 | S | 95.4 | Very high | 93.9 | Very high | 44 Ų | 44 | 52.5 Ų | 52.5 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19 | -177.3 | 65.6 | 0 | 0 | 0 | 0 | 114.9 | K425 N532 | K425-S535 PolarHBondContact NZ-OG 2.9Å; N532-S535 WeakPolarHBondContact O-CB 3.4Å; N532-S535 PolarHBondContact O-N 2.83Å; N532-S535 PolarHBondContact O-OG 2.87Å; N532-S535 PolarHBondContact OD1-N 2.74Å |
| 536 | Q | 96.7 | Very high | 94.2 | Very high | 118 Ų | 118 | 53.3 Ų | 53.3 | 55% | 0.551 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -5.6 | 179.5 | -57.8 | -59.2 | -27.2 | 0 | 0 | 113 | G420 E422 F534 | G420-Q536 VanDerWaalsContact O-CG 3.31Å; G420-Q536 WeakPolarHBondContact O-CG 3.3Å; E422-Q536 PolarHBondContact OE1-NE2 3.47Å; F534-Q536 PolarHBondContact O-N 2.9Å; F534-Q536 VanDerWaalsContact O-N 3.15Å |
| 537 | L | 96.7 | Very high | 94.5 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -72.8 | 154.9 | 178.1 | -62.9 | -170.5 | 0 | 0 | 0 | 111.4 | L419 L472 F534 D541 F542 | L419-L537 HydrophobicContact CB-CD2 4.24Å; L419-L537 HydrophobicContact CD2-CD2 4.23Å; L472-L537 HydrophobicContact CD1-CD1 3.43Å; L472-L537 VanDerWaalsContact CD1-CD1 3.43Å; F534-L537 HydrophobicContact CB-CD1 3.69Å; F534-L537 HydrophobicContact CB-CG 4.02Å; F534-L537 HydrophobicContact CD1-CD1 4.07Å; F534-L537 HydrophobicContact CD2-CD1 4.44Å; F534-L537 HydrophobicContact CG-CD1 3.83Å; F534-L537 WeakPolarHBondContact O-CB 3.16Å; F534-L537 PolarHBondContact O-N 3.23Å; F534-L537 VanDerWaalsContact O-N 3.13Å; L537-D541 HydrophobicContact CB-CB 4.02Å; L537-D541 HydrophobicContact CD1-CB 4.22Å; L537-F542 HydrophobicContact CB-CB 4.37Å |
| 538 | S | 97.1 | Very high | 95 | Very high | 58 Ų | 58 | 51 Ų | 51 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | trans | -61.8 | 158.6 | 167 | 78.5 | 0 | 0 | 0 | 0 | 110.5 | S540 D541 F542 | S538-S540 PolarHBondContact O-N 3.35Å; S538-D541 PolarHBondContact O-N 3.2Å; S538-D541 VanDerWaalsContact O-N 3.17Å; S538-D541 WeakPolarHBondContact OG-CB 3.25Å; S538-D541 PolarHBondContact OG-N 3.33Å; S538-D541 VanDerWaalsContact OG-N 3.13Å; S538-D541 PolarHBondContact OG-OD2 2.9Å; S538-F542 WeakPolarHBondContact O-CB 3.4Å; S538-F542 PolarHBondContact O-N 3.28Å | ||
| 539 | F | 92.8 | Very high | 95.7 | Very high | 179 Ų | 179 | 50.2 Ų | 50.2 | 79% | 0.785 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -55.7 | -39 | 176.3 | 179.7 | -96 | 0 | 0 | 0 | 112.3 | H543 | F539-H543 WeakPolarHBondContact O-CB 3.23Å; F539-H543 PolarHBondContact O-N 3.05Å |
| 540 | S | 96.5 | Very high | 96.1 | Very high | 77 Ų | 77 | 50.7 Ų | 50.7 | 54% | 0.538 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 178 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | S538 H543 T544 | S538-S540 PolarHBondContact O-N 3.35Å; S540-H543 PolarHBondContact O-N 2.79Å; S540-T544 WeakPolarHBondContact O-CB 3.31Å; S540-T544 PolarHBondContact O-N 2.89Å; S540-T544 PolarHBondContact O-OG1 3.41Å |
| 541 | D | 97.4 | Very high | 96.5 | Very high | 67 Ų | 67 | 49.9 Ų | 49.9 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70 | -41 | -179.9 | -64.6 | -38.4 | 0 | 0 | 0 | 111.2 | L472 L537 S538 H543 T544 A545 | L472-D541 HydrophobicContact CD2-CB 3.89Å; L537-D541 HydrophobicContact CB-CB 4.02Å; L537-D541 HydrophobicContact CD1-CB 4.22Å; S538-D541 PolarHBondContact O-N 3.2Å; S538-D541 VanDerWaalsContact O-N 3.17Å; S538-D541 WeakPolarHBondContact OG-CB 3.25Å; S538-D541 PolarHBondContact OG-N 3.33Å; S538-D541 VanDerWaalsContact OG-N 3.13Å; S538-D541 PolarHBondContact OG-OD2 2.9Å; D541-H543 VanDerWaalsContact C-N 3.33Å; D541-H543 PolarHBondContact O-N 2.81Å; D541-T544 WeakPolarHBondContact O-CB 3.05Å; D541-T544 PolarHBondContact O-N 3.22Å; D541-A545 WeakPolarHBondContact O-CB 3.05Å; D541-A545 PolarHBondContact O-N 3.37Å |
| 542 | F | 96.3 | Very high | 96.8 | Very high | 35 Ų | 35 | 50 Ų | 50 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 173.5 | -176.9 | -95.4 | 0 | 0 | 0 | 111.2 | F534 L537 S538 T544 A545 M546 | F534-F542 HydrophobicContact CB-CD2 3.79Å; F534-F542 HydrophobicContact CB-CE2 4.1Å; L537-F542 HydrophobicContact CB-CB 4.37Å; S538-F542 WeakPolarHBondContact O-CB 3.4Å; S538-F542 PolarHBondContact O-N 3.28Å; F542-T544 VanDerWaalsContact C-N 3.32Å; F542-T544 PolarHBondContact O-N 3.15Å; F542-A545 PolarHBondContact O-N 3.16Å; F542-M546 HydrophobicContact CD1-CG 4.1Å; F542-M546 HydrophobicContact CE1-CG 3.65Å; F542-M546 HydrophobicContact CE2-CG 4.29Å; F542-M546 HydrophobicContact CE2-SD 4.43Å; F542-M546 HydrophobicContact CZ-CG 3.75Å; F542-M546 HydrophobicContact CZ-SD 4.07Å; F542-M546 WeakPolarHBondContact O-CG 3.36Å; F542-M546 PolarHBondContact O-N 2.97Å |
| 543 | H | 95.2 | Very high | 96.9 | Very high | 121 Ų | 121 | 48.9 Ų | 48.9 | 56% | 0.56 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -62 | -41.1 | 175.8 | -173.8 | -79.1 | 0 | 0 | 0 | 111.9 | F539 S540 D541 M546 S547 | F539-H543 WeakPolarHBondContact O-CB 3.23Å; F539-H543 PolarHBondContact O-N 3.05Å; S540-H543 PolarHBondContact O-N 2.79Å; D541-H543 VanDerWaalsContact C-N 3.33Å; D541-H543 PolarHBondContact O-N 2.81Å; H543-M546 PolarHBondContact O-N 3.43Å; H543-S547 WeakPolarHBondContact O-CB 3.48Å; H543-S547 PolarHBondContact O-N 2.99Å |
| 544 | T | 96.8 | Very high | 96.8 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 36% | 0.356 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 176.1 | -59 | 0 | 0 | 0 | 0 | 111.2 | L472 S540 D541 F542 M546 S547 I548 | L472-T544 HydrophobicContact CD2-CG2 4.49Å; S540-T544 WeakPolarHBondContact O-CB 3.31Å; S540-T544 PolarHBondContact O-N 2.89Å; S540-T544 PolarHBondContact O-OG1 3.41Å; D541-T544 WeakPolarHBondContact O-CB 3.05Å; D541-T544 PolarHBondContact O-N 3.22Å; F542-T544 VanDerWaalsContact C-N 3.32Å; F542-T544 PolarHBondContact O-N 3.15Å; T544-M546 PolarHBondContact O-N 2.96Å; T544-S547 WeakPolarHBondContact O-CB 3.45Å; T544-S547 PolarHBondContact O-N 3.07Å; T544-I548 HydrophobicContact CG2-CD1 3.93Å; T544-I548 WeakPolarHBondContact O-CD1 3.44Å; T544-I548 WeakPolarHBondContact O-CG1 3Å; T544-I548 PolarHBondContact O-N 2.8Å |
| 545 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.5 | -48.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L472 S476 F534 D541 F542 S547 I548 I549 | L472-A545 HydrophobicContact CD1-CB 3.98Å; L472-A545 HydrophobicContact CG-CB 4.43Å; S476-A545 WeakPolarHBondContact OG-CA 3.41Å; S476-A545 WeakPolarHBondContact OG-CB 3.37Å; F534-A545 HydrophobicContact CD2-CB 3.85Å; F534-A545 HydrophobicContact CE2-CB 3.87Å; D541-A545 WeakPolarHBondContact O-CB 3.05Å; D541-A545 PolarHBondContact O-N 3.37Å; F542-A545 PolarHBondContact O-N 3.16Å; A545-S547 VanDerWaalsContact C-N 3.32Å; A545-S547 PolarHBondContact O-N 2.94Å; A545-I548 PolarHBondContact O-N 3.05Å; A545-I549 VanDerWaalsContact O-CG1 3.31Å; A545-I549 WeakPolarHBondContact O-CG1 3.23Å; A545-I549 PolarHBondContact O-N 2.97Å |
| 546 | M | 97.1 | Very high | 96.8 | Very high | 18 Ų | 18 | 49.3 Ų | 49.3 | 9% | 0.089 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -34.3 | 179.1 | -68 | -52.7 | -61.7 | 0 | 0 | 112.7 | F519 M523 M526 F542 H543 T544 I549 R550 | F519-M546 HydrophobicContact CE2-CE 4.01Å; F519-M546 HydrophobicContact CZ-CE 4.26Å; M523-M546 HydrophobicContact CB-CE 4.39Å; M523-M546 HydrophobicContact CG-CE 3.6Å; M526-M546 HydrophobicContact CB-CE 4.37Å; M526-M546 HydrophobicContact CB-SD 4.17Å; M526-M546 HydrophobicContact CG-SD 4.36Å; F542-M546 HydrophobicContact CD1-CG 4.1Å; F542-M546 HydrophobicContact CE1-CG 3.65Å; F542-M546 HydrophobicContact CE2-CG 4.29Å; F542-M546 HydrophobicContact CE2-SD 4.43Å; F542-M546 HydrophobicContact CZ-CG 3.75Å; F542-M546 HydrophobicContact CZ-SD 4.07Å; F542-M546 WeakPolarHBondContact O-CG 3.36Å; F542-M546 PolarHBondContact O-N 2.97Å; H543-M546 PolarHBondContact O-N 3.43Å; T544-M546 PolarHBondContact O-N 2.96Å; M546-I549 HydrophobicContact SD-CD1 4.06Å; M546-R550 WeakPolarHBondContact O-CB 3.5Å; M546-R550 PolarHBondContact O-N 3.5Å |
| 547 | S | 97.2 | Very high | 96.8 | Very high | 51 Ų | 51 | 44.8 Ų | 44.8 | 36% | 0.357 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 173 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | H543 T544 A545 R550 N551 | H543-S547 WeakPolarHBondContact O-CB 3.48Å; H543-S547 PolarHBondContact O-N 2.99Å; T544-S547 WeakPolarHBondContact O-CB 3.45Å; T544-S547 PolarHBondContact O-N 3.07Å; A545-S547 VanDerWaalsContact C-N 3.32Å; A545-S547 PolarHBondContact O-N 2.94Å; S547-R550 WeakPolarHBondContact O-CB 3.44Å; S547-R550 PolarHBondContact O-N 3.23Å; S547-N551 WeakPolarHBondContact O-CB 3.23Å; S547-N551 PolarHBondContact O-N 2.75Å; S547-N551 PolarHBondContact O-ND2 2.87Å |
| 548 | I | 98.1 | Very high | 96.7 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.9 | -46.5 | 176.8 | -66.7 | 155.5 | 0 | 0 | 0 | 110.6 | E473 I477 T544 A545 R550 N551 V552 | E473-I548 HydrophobicContact CB-CD1 4.2Å; E473-I548 HydrophobicContact CG-CD1 3.53Å; I477-I548 HydrophobicContact CG1-CG2 4.03Å; T544-I548 HydrophobicContact CG2-CD1 3.93Å; T544-I548 WeakPolarHBondContact O-CD1 3.44Å; T544-I548 WeakPolarHBondContact O-CG1 3Å; T544-I548 PolarHBondContact O-N 2.8Å; A545-I548 PolarHBondContact O-N 3.05Å; I548-R550 VanDerWaalsContact C-N 3.29Å; I548-R550 PolarHBondContact O-N 2.73Å; I548-N551 PolarHBondContact O-N 2.93Å; I548-V552 HydrophobicContact CG2-CG2 3.97Å; I548-V552 WeakPolarHBondContact O-CB 3.31Å; I548-V552 WeakPolarHBondContact O-CG2 3.44Å; I548-V552 PolarHBondContact O-N 2.76Å |
| 549 | I | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.1 | -45.7 | 178 | -69.4 | 162.3 | 0 | 0 | 0 | 110.4 | S476 V479 A480 F519 A522 F534 A545 M546 V552 I553 | S476-I549 WeakPolarHBondContact O-CG1 3.2Å; V479-I549 HydrophobicContact CB-CD1 4.22Å; V479-I549 HydrophobicContact CB-CG1 4.41Å; V479-I549 HydrophobicContact CG1-CD1 3.59Å; V479-I549 HydrophobicContact CG1-CG1 4.06Å; A480-I549 HydrophobicContact CB-CG2 4.36Å; F519-I549 HydrophobicContact CD2-CG2 4.16Å; F519-I549 HydrophobicContact CE2-CG2 4.21Å; A522-I549 HydrophobicContact CB-CG2 4.5Å; F534-I549 HydrophobicContact CE2-CD1 4.07Å; A545-I549 VanDerWaalsContact O-CG1 3.31Å; A545-I549 WeakPolarHBondContact O-CG1 3.23Å; A545-I549 PolarHBondContact O-N 2.97Å; M546-I549 HydrophobicContact SD-CD1 4.06Å; I549-V552 PolarHBondContact O-N 2.95Å; I549-I553 HydrophobicContact CG2-CD1 3.75Å; I549-I553 HydrophobicContact CG2-CG1 4.38Å; I549-I553 WeakPolarHBondContact O-CB 3.47Å; I549-I553 VanDerWaalsContact O-CG1 3.28Å; I549-I553 WeakPolarHBondContact O-CG1 3.35Å; I549-I553 PolarHBondContact O-N 3.03Å |
| 550 | R | 97 | Very high | 96.6 | Very high | 111 Ų | 111 | 38.1 Ų | 38.1 | 42% | 0.419 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -55.9 | -55 | 175.1 | -175.8 | -175.5 | -64.5 | -164.8 | -2.1 | 111.6 | F519 M546 S547 I548 V552 I553 Q554 | F519-R550 HydrophobicContact CD1-CB 4.25Å; F519-R550 HydrophobicContact CD1-CG 3.88Å; F519-R550 VanDerWaalsContact CD2-CA 3.44Å; F519-R550 HydrophobicContact CD2-CB 3.81Å; F519-R550 HydrophobicContact CD2-CG 4.25Å; F519-R550 HydrophobicContact CE1-CB 3.97Å; F519-R550 HydrophobicContact CE1-CG 3.83Å; F519-R550 HydrophobicContact CE2-CB 3.5Å; F519-R550 VanDerWaalsContact CE2-CB 3.5Å; F519-R550 HydrophobicContact CE2-CG 4.21Å; F519-R550 HydrophobicContact CG-CB 4.17Å; F519-R550 HydrophobicContact CG-CG 4.09Å; F519-R550 HydrophobicContact CZ-CB 3.59Å; F519-R550 HydrophobicContact CZ-CG 4Å; M546-R550 WeakPolarHBondContact O-CB 3.5Å; M546-R550 PolarHBondContact O-N 3.5Å; S547-R550 WeakPolarHBondContact O-CB 3.44Å; S547-R550 PolarHBondContact O-N 3.23Å; I548-R550 VanDerWaalsContact C-N 3.29Å; I548-R550 PolarHBondContact O-N 2.73Å; R550-V552 VanDerWaalsContact C-N 3.29Å; R550-V552 PolarHBondContact O-N 3Å; R550-I553 PolarHBondContact O-N 2.85Å; R550-Q554 HydrophobicContact CG-CG 4.4Å; R550-Q554 WeakPolarHBondContact O-CB 3.44Å; R550-Q554 WeakPolarHBondContact O-CG 3.45Å; R550-Q554 PolarHBondContact O-N 2.98Å |
| 551 | N | 96.7 | Very high | 96.6 | Very high | 46 Ų | 46 | 34.5 Ų | 34.5 | 25% | 0.246 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.6 | -38.2 | -174.1 | -73.3 | -12.3 | 0 | 0 | 0 | 112.1 | S547 I548 A555 Y585 | S547-N551 WeakPolarHBondContact O-CB 3.23Å; S547-N551 PolarHBondContact O-N 2.75Å; S547-N551 PolarHBondContact O-ND2 2.87Å; I548-N551 PolarHBondContact O-N 2.93Å; N551-A555 WeakPolarHBondContact O-CB 3.36Å; N551-A555 PolarHBondContact O-N 2.65Å; N551-A555 VanDerWaalsContact O-N 3.13Å; N551-Y585 HydrophobicContact CB-CD2 4.08Å; N551-Y585 HydrophobicContact CB-CE2 3.87Å |
| 552 | V | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.9 | -45.8 | 179 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | I477 A480 I548 I549 R550 Q554 A555 S556 R588 M592 | I477-V552 HydrophobicContact CG1-CG2 4.05Å; I477-V552 HydrophobicContact CG2-CG1 4.33Å; A480-V552 HydrophobicContact CB-CB 3.63Å; A480-V552 HydrophobicContact CB-CG1 3.38Å; I548-V552 HydrophobicContact CG2-CG2 3.97Å; I548-V552 WeakPolarHBondContact O-CB 3.31Å; I548-V552 WeakPolarHBondContact O-CG2 3.44Å; I548-V552 PolarHBondContact O-N 2.76Å; I549-V552 PolarHBondContact O-N 2.95Å; R550-V552 VanDerWaalsContact C-N 3.29Å; R550-V552 PolarHBondContact O-N 3Å; V552-Q554 PolarHBondContact O-N 3.27Å; V552-A555 WeakPolarHBondContact O-CB 3.21Å; V552-A555 PolarHBondContact O-N 2.66Å; V552-A555 VanDerWaalsContact O-N 3.08Å; V552-S556 PolarHBondContact O-N 3.27Å; V552-R588 HydrophobicContact CG2-CB 4.3Å; V552-M592 HydrophobicContact CG1-CB 3.9Å; V552-M592 HydrophobicContact CG1-CG 3.92Å; V552-M592 HydrophobicContact CG1-SD 3.7Å; V552-M592 WeakPolarHBondContact O-CG 3.38Å |
| 553 | I | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.7 | -67.4 | 178.2 | 0 | 0 | 0 | 110.7 | A480 C483 H484 E515 H518 F519 A522 I549 R550 A555 S556 | A480-I553 HydrophobicContact CB-CG1 3.99Å; C483-I553 HydrophobicContact CB-CD1 3.82Å; H484-I553 HydrophobicContact CB-CG1 4.19Å; E515-I553 WeakPolarHBondContact O-CG2 3.22Å; H518-I553 HydrophobicContact CB-CG2 3.97Å; F519-I553 HydrophobicContact CB-CD1 4.41Å; F519-I553 HydrophobicContact CB-CG2 4.18Å; F519-I553 HydrophobicContact CD2-CD1 4.37Å; A522-I553 HydrophobicContact CB-CD1 4Å; I549-I553 HydrophobicContact CG2-CD1 3.75Å; I549-I553 HydrophobicContact CG2-CG1 4.38Å; I549-I553 WeakPolarHBondContact O-CB 3.47Å; I549-I553 VanDerWaalsContact O-CG1 3.28Å; I549-I553 WeakPolarHBondContact O-CG1 3.35Å; I549-I553 PolarHBondContact O-N 3.03Å; R550-I553 PolarHBondContact O-N 2.85Å; I553-A555 PolarHBondContact O-N 3.29Å; I553-A555 VanDerWaalsContact O-N 3.15Å; I553-S556 PolarHBondContact O-N 3.11Å; I553-S556 VanDerWaalsContact O-N 3.09Å; I553-S556 PolarHBondContact O-OG 2.95Å |
| 554 | Q | 95.8 | Very high | 96.4 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 22% | 0.224 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -23.8 | 176 | -73 | 179.9 | -35.1 | 0 | 0 | 113.2 | R550 V552 S556 | R550-Q554 HydrophobicContact CG-CG 4.4Å; R550-Q554 WeakPolarHBondContact O-CB 3.44Å; R550-Q554 WeakPolarHBondContact O-CG 3.45Å; R550-Q554 PolarHBondContact O-N 2.98Å; V552-Q554 PolarHBondContact O-N 3.27Å; Q554-S556 VanDerWaalsContact C-N 3.34Å |
| 555 | A | 96.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -6.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N551 V552 I553 D557 | N551-A555 WeakPolarHBondContact O-CB 3.36Å; N551-A555 PolarHBondContact O-N 2.65Å; N551-A555 VanDerWaalsContact O-N 3.13Å; V552-A555 WeakPolarHBondContact O-CB 3.21Å; V552-A555 PolarHBondContact O-N 2.66Å; V552-A555 VanDerWaalsContact O-N 3.08Å; I553-A555 PolarHBondContact O-N 3.29Å; I553-A555 VanDerWaalsContact O-N 3.15Å; A555-D557 PolarHBondContact O-N 3.4Å |
| 556 | S | 97.2 | Very high | 96.3 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -20.4 | 169.7 | 65.1 | 0 | 0 | 0 | 0 | 112.3 | V552 I553 Q554 L558 | V552-S556 PolarHBondContact O-N 3.27Å; I553-S556 PolarHBondContact O-N 3.11Å; I553-S556 VanDerWaalsContact O-N 3.09Å; I553-S556 PolarHBondContact O-OG 2.95Å; Q554-S556 VanDerWaalsContact C-N 3.34Å; S556-L558 PolarHBondContact O-N 3.47Å; S556-L558 VanDerWaalsContact O-N 3.16Å |
| 557 | D | 96.6 | Very high | 96.2 | Very high | 23 Ų | 23 | 40.3 Ų | 40.3 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -64.9 | 118.4 | 171.6 | -168.5 | -16.9 | 0 | 0 | 0 | 110.5 | S512 E515 A555 A559 N560 Y561 | S512-D557 VanDerWaalsContact CB-OD2 3.27Å; S512-D557 WeakPolarHBondContact CB-OD2 3.41Å; S512-D557 PolarHBondContact OG-OD2 3.09Å; E515-D557 HydrophobicContact CG-CB 3.96Å; E515-D557 WeakPolarHBondContact OE1-CB 3.34Å; A555-D557 PolarHBondContact O-N 3.4Å; D557-A559 PolarHBondContact O-N 2.89Å; D557-A559 VanDerWaalsContact O-N 3.16Å; D557-A559 VanDerWaalsContact OD1-CB 3.3Å; D557-A559 WeakPolarHBondContact OD1-CB 3.46Å; D557-A559 PolarHBondContact OD1-N 3.03Å; D557-N560 HydrophobicContact CB-CB 4.49Å; D557-N560 WeakPolarHBondContact O-CA 3.38Å; D557-N560 VanDerWaalsContact O-CB 3.27Å; D557-N560 WeakPolarHBondContact O-CB 3.4Å; D557-N560 PolarHBondContact O-N 3.15Å; D557-Y561 PolarHBondContact O-N 3.19Å |
| 558 | L | 94.8 | Very high | 96.1 | Very high | 51 Ų | 51 | 37.9 Ų | 37.9 | 27% | 0.267 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.3 | -27.2 | 175.8 | -74.7 | 171 | 0 | 0 | 0 | 112.9 | S556 N560 Y561 F562 T593 I654 | S556-L558 PolarHBondContact O-N 3.47Å; S556-L558 VanDerWaalsContact O-N 3.16Å; L558-N560 PolarHBondContact O-N 3.38Å; L558-Y561 WeakPolarHBondContact O-CB 3.48Å; L558-Y561 PolarHBondContact O-N 3.47Å; L558-F562 HydrophobicContact CB-CE2 4.38Å; L558-F562 WeakPolarHBondContact O-CD2 3.49Å; L558-F562 PolarHBondContact O-N 3.38Å; L558-T593 HydrophobicContact CD2-CG2 4.21Å; L558-I654 HydrophobicContact CD1-CD1 3.9Å; L558-I654 HydrophobicContact CD2-CD1 4.39Å; L558-I654 HydrophobicContact CD2-CG2 4Å |
| 559 | A | 94.1 | Very high | 95.9 | Very high | 61 Ų | 61 | 41.4 Ų | 41.4 | 50% | 0.504 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.9 | -37.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D557 R563 | D557-A559 PolarHBondContact O-N 2.89Å; D557-A559 VanDerWaalsContact O-N 3.16Å; D557-A559 VanDerWaalsContact OD1-CB 3.3Å; D557-A559 WeakPolarHBondContact OD1-CB 3.46Å; D557-A559 PolarHBondContact OD1-N 3.03Å; A559-R563 PolarHBondContact O-N 2.92Å; A559-R563 VanDerWaalsContact O-N 3.16Å |
| 560 | N | 93.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.6 | -43 | 174 | -171 | 49.2 | 0 | 0 | 0 | 111.5 | D557 L558 F562 R563 I564 Y585 | D557-N560 HydrophobicContact CB-CB 4.49Å; D557-N560 WeakPolarHBondContact O-CA 3.38Å; D557-N560 VanDerWaalsContact O-CB 3.27Å; D557-N560 WeakPolarHBondContact O-CB 3.4Å; D557-N560 PolarHBondContact O-N 3.15Å; L558-N560 PolarHBondContact O-N 3.38Å; N560-F562 PolarHBondContact O-N 2.92Å; N560-R563 WeakPolarHBondContact O-CB 3.39Å; N560-R563 PolarHBondContact O-N 3.31Å; N560-R563 VanDerWaalsContact O-N 3.17Å; N560-R563 PolarHBondContact OD1-NE 2.92Å; N560-R563 PolarHBondContact OD1-NH2 3.45Å; N560-I564 WeakPolarHBondContact O-CG1 3.47Å; N560-I564 PolarHBondContact O-N 3Å; N560-I564 VanDerWaalsContact O-N 3.15Å; N560-Y585 PolarHBondContact ND2-OH 2.75Å |
| 561 | Y | 95.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.3 | -51.5 | 174.6 | 166.1 | -103.8 | 0 | 0 | 0 | 111.5 | D557 L558 R563 I564 Q565 L590 T593 V658 | D557-Y561 PolarHBondContact O-N 3.19Å; L558-Y561 WeakPolarHBondContact O-CB 3.48Å; L558-Y561 PolarHBondContact O-N 3.47Å; Y561-R563 VanDerWaalsContact C-N 3.25Å; Y561-R563 PolarHBondContact O-N 2.96Å; Y561-I564 WeakPolarHBondContact O-CG1 3.48Å; Y561-I564 PolarHBondContact O-N 3.45Å; Y561-I564 VanDerWaalsContact O-N 3.16Å; Y561-Q565 HydrophobicContact CE1-CB 4.49Å; Y561-Q565 HydrophobicContact CE1-CG 4.38Å; Y561-Q565 HydrophobicContact CE2-CB 4.43Å; Y561-Q565 HydrophobicContact CE2-CG 4.43Å; Y561-Q565 VanDerWaalsContact O-CB 3.32Å; Y561-Q565 WeakPolarHBondContact O-CB 3.33Å; Y561-Q565 PolarHBondContact O-N 3.12Å; Y561-Q565 PolarHBondContact OH-NE2 3.21Å; Y561-L590 HydrophobicContact CE2-CD1 4.23Å; Y561-T593 HydrophobicContact CD2-CG2 4.11Å; Y561-T593 HydrophobicContact CG-CG2 4.16Å; Y561-V658 HydrophobicContact CD2-CG2 4.37Å; Y561-V658 HydrophobicContact CE1-CG2 3.92Å; Y561-V658 HydrophobicContact CE2-CG2 3.67Å; Y561-V658 VanDerWaalsContact CZ-CG2 3.4Å; Y561-V658 WeakPolarHBondContact OH-CG2 3.45Å |
| 562 | F | 96.1 | Very high | 95.2 | Very high | 89 Ų | 89 | 41.6 Ų | 41.6 | 39% | 0.39 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.9 | -32.2 | -179.8 | -73 | -61.4 | 0 | 0 | 0 | 113 | L558 N560 I654 | L558-F562 HydrophobicContact CB-CE2 4.38Å; L558-F562 WeakPolarHBondContact O-CD2 3.49Å; L558-F562 PolarHBondContact O-N 3.38Å; N560-F562 PolarHBondContact O-N 2.92Å; F562-I654 HydrophobicContact CE2-CD1 4.19Å; F562-I654 HydrophobicContact CZ-CD1 3.87Å; F562-I654 HydrophobicContact CZ-CG1 3.79Å |
| 563 | R | 95.1 | Very high | 94.8 | Very high | 159 Ų | 159 | 50.2 Ų | 50.2 | 60% | 0.6 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.8 | -41.2 | 175.3 | -174.2 | -178.7 | 66.4 | 86.6 | -2.5 | 112.3 | A559 N560 Y561 | A559-R563 PolarHBondContact O-N 2.92Å; A559-R563 VanDerWaalsContact O-N 3.16Å; N560-R563 WeakPolarHBondContact O-CB 3.39Å; N560-R563 PolarHBondContact O-N 3.31Å; N560-R563 VanDerWaalsContact O-N 3.17Å; N560-R563 PolarHBondContact OD1-NE 2.92Å; N560-R563 PolarHBondContact OD1-NH2 3.45Å; Y561-R563 VanDerWaalsContact C-N 3.25Å; Y561-R563 PolarHBondContact O-N 2.96Å |
| 564 | I | 94.7 | Very high | 94.4 | Very high | 9 Ų | 9 | 59 Ų | 59 | 5% | 0.046 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -95.1 | -12.2 | -176.4 | 68.5 | 174.1 | 0 | 0 | 0 | 113.7 | N560 Y561 P566 D567 L568 S589 | N560-I564 WeakPolarHBondContact O-CG1 3.47Å; N560-I564 PolarHBondContact O-N 3Å; N560-I564 VanDerWaalsContact O-N 3.15Å; Y561-I564 WeakPolarHBondContact O-CG1 3.48Å; Y561-I564 PolarHBondContact O-N 3.45Å; Y561-I564 VanDerWaalsContact O-N 3.16Å; I564-P566 VanDerWaalsContact C-CD 3.43Å; I564-D567 PolarHBondContact O-N 3.33Å; I564-D567 VanDerWaalsContact O-N 3.11Å; I564-L568 HydrophobicContact CD1-CD1 3.9Å; I564-L568 HydrophobicContact CG1-CD1 3.86Å; I564-L568 HydrophobicContact CG1-CG 4.49Å; I564-L568 PolarHBondContact O-N 3.27Å; I564-S589 VanDerWaalsContact CD1-CB 3.49Å |
| 565 | Q | 95.3 | Very high | 94 | Very high | 35 Ų | 35 | 58.8 Ų | 58.8 | 16% | 0.164 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -52.1 | -43.5 | -176.6 | -178.2 | -168.5 | 47.8 | 0 | 0 | 113.8 | Y561 D567 L568 M569 | Y561-Q565 HydrophobicContact CE1-CB 4.49Å; Y561-Q565 HydrophobicContact CE1-CG 4.38Å; Y561-Q565 HydrophobicContact CE2-CB 4.43Å; Y561-Q565 HydrophobicContact CE2-CG 4.43Å; Y561-Q565 VanDerWaalsContact O-CB 3.32Å; Y561-Q565 WeakPolarHBondContact O-CB 3.33Å; Y561-Q565 PolarHBondContact O-N 3.12Å; Y561-Q565 PolarHBondContact OH-NE2 3.21Å; Q565-D567 VanDerWaalsContact C-N 3.28Å; Q565-D567 PolarHBondContact O-N 3.22Å; Q565-L568 PolarHBondContact O-N 3.17Å; Q565-M569 HydrophobicContact CG-CE 3.85Å; Q565-M569 WeakPolarHBondContact O-CG 3.2Å; Q565-M569 PolarHBondContact O-N 2.9Å |
| 566 | P | 96.1 | Very high | 93.6 | Very high | 67 Ų | 67 | 60.4 Ų | 60.4 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.9 | -35.2 | -180 | -24.1 | 35.7 | 0 | 0 | 0 | 113.3 | I564 K570 | I564-P566 VanDerWaalsContact C-CD 3.43Å; P566-K570 WeakPolarHBondContact O-CG 3.17Å; P566-K570 PolarHBondContact O-N 3.27Å |
| 567 | D | 95.7 | Very high | 93.3 | Very high | 62 Ų | 62 | 63.7 Ų | 63.7 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -79.9 | -37.8 | -179.8 | -62.3 | -45 | 0 | 0 | 0 | 111.1 | I564 Q565 M569 K570 L571 M586 | I564-D567 PolarHBondContact O-N 3.33Å; I564-D567 VanDerWaalsContact O-N 3.11Å; Q565-D567 VanDerWaalsContact C-N 3.28Å; Q565-D567 PolarHBondContact O-N 3.22Å; D567-M569 VanDerWaalsContact C-N 3.28Å; D567-M569 PolarHBondContact O-N 3.42Å; D567-K570 WeakPolarHBondContact O-CB 3.35Å; D567-K570 PolarHBondContact O-N 2.72Å; D567-K570 IonicContact OD1-NZ 3.11Å; D567-K570 PolarHBondContact OD1-NZ 3.26Å; D567-L571 WeakPolarHBondContact O-CG 3.38Å; D567-L571 PolarHBondContact O-N 2.84Å; D567-M586 HydrophobicContact CB-SD 3.79Å |
| 568 | L | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.4 | -42 | 167.6 | -77.4 | 172 | 0 | 0 | 0 | 112.4 | I564 Q565 K570 L571 S572 M586 L590 M661 | I564-L568 HydrophobicContact CD1-CD1 3.9Å; I564-L568 HydrophobicContact CG1-CD1 3.86Å; I564-L568 HydrophobicContact CG1-CG 4.49Å; I564-L568 PolarHBondContact O-N 3.27Å; Q565-L568 PolarHBondContact O-N 3.17Å; L568-K570 VanDerWaalsContact C-N 3.28Å; L568-K570 PolarHBondContact O-N 3.19Å; L568-L571 PolarHBondContact O-N 3.08Å; L568-S572 PolarHBondContact O-N 3.21Å; L568-S572 PolarHBondContact O-OG 3.33Å; L568-M586 HydrophobicContact CD2-CB 3.81Å; L568-M586 HydrophobicContact CG-CB 4.38Å; L568-L590 HydrophobicContact CD1-CB 4.05Å; L568-L590 HydrophobicContact CD1-CD1 4.35Å; L568-L590 HydrophobicContact CD2-CB 4.27Å; L568-L590 HydrophobicContact CD2-CD2 4.29Å; L568-M661 HydrophobicContact CB-CE 4.28Å; L568-M661 HydrophobicContact CB-SD 4.39Å |
| 569 | M | 94 | Very high | 92.5 | Very high | 82 Ų | 82 | 68.8 Ų | 68.8 | 40% | 0.404 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.2 | -32 | 175.5 | -77.1 | -172.2 | -172.6 | 0 | 0 | 113.3 | Q565 D567 S572 M661 | Q565-M569 HydrophobicContact CG-CE 3.85Å; Q565-M569 WeakPolarHBondContact O-CG 3.2Å; Q565-M569 PolarHBondContact O-N 2.9Å; D567-M569 VanDerWaalsContact C-N 3.28Å; D567-M569 PolarHBondContact O-N 3.42Å; M569-S572 PolarHBondContact O-OG 3.45Å; M569-S572 VanDerWaalsContact O-OG 3.09Å; M569-M661 HydrophobicContact CB-CE 4.06Å; M569-M661 HydrophobicContact CE-CE 4.29Å; M569-M661 HydrophobicContact CG-CE 3.19Å; M569-M661 HydrophobicContact CG-SD 4.3Å |
| 570 | K | 94.9 | Very high | 92.5 | Very high | 116 Ų | 116 | 68.6 Ų | 68.6 | 50% | 0.504 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -73.6 | -43.3 | 175.2 | -66.6 | 168.3 | -164 | 158.3 | 0 | 110.2 | P566 D567 L568 K573 K574 | P566-K570 WeakPolarHBondContact O-CG 3.17Å; P566-K570 PolarHBondContact O-N 3.27Å; D567-K570 WeakPolarHBondContact O-CB 3.35Å; D567-K570 PolarHBondContact O-N 2.72Å; D567-K570 IonicContact OD1-NZ 3.11Å; D567-K570 PolarHBondContact OD1-NZ 3.26Å; L568-K570 VanDerWaalsContact C-N 3.28Å; L568-K570 PolarHBondContact O-N 3.19Å; K570-K573 PolarHBondContact O-N 2.78Å; K570-K574 PolarHBondContact O-N 2.76Å |
| 571 | L | 93.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 73.2 Ų | 73.2 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 179.1 | -68.7 | -179.8 | 0 | 0 | 0 | 112.6 | D567 L568 K573 K574 G575 I576 H583 M586 F665 | D567-L571 WeakPolarHBondContact O-CG 3.38Å; D567-L571 PolarHBondContact O-N 2.84Å; L568-L571 PolarHBondContact O-N 3.08Å; L571-K573 PolarHBondContact O-N 2.86Å; L571-K573 VanDerWaalsContact O-N 3.15Å; L571-K574 PolarHBondContact O-N 3.13Å; L571-G575 CarbonylContact O-C 3.57Å; L571-G575 WeakPolarHBondContact O-CA 3.37Å; L571-G575 PolarHBondContact O-N 3.32Å; L571-I576 HydrophobicContact CB-CG1 4.22Å; L571-I576 HydrophobicContact CD1-CG1 4.33Å; L571-H583 HydrophobicContact CD1-CB 4.44Å; L571-H583 WeakPolarHBondContact CD2-NE2 3.35Å; L571-M586 HydrophobicContact CD1-CB 4.46Å; L571-M586 HydrophobicContact CD1-CE 3.49Å; L571-M586 VanDerWaalsContact CD1-CE 3.49Å; L571-M586 HydrophobicContact CD1-SD 3.87Å; L571-F665 HydrophobicContact CB-CE1 4.25Å; L571-F665 HydrophobicContact CB-CZ 3.95Å |
| 572 | S | 90.2 | Very high | 92.5 | Very high | 31 Ų | 31 | 79 Ų | 79 | 22% | 0.217 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.3 | -22.7 | 177.8 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | L568 M569 M661 F665 | L568-S572 PolarHBondContact O-N 3.21Å; L568-S572 PolarHBondContact O-OG 3.33Å; M569-S572 PolarHBondContact O-OG 3.45Å; M569-S572 VanDerWaalsContact O-OG 3.09Å; S572-M661 PolarHBondContact OG-SD 2.94Å; S572-M661 VanDerWaalsContact OG-SD 3.39Å; S572-F665 VanDerWaalsContact CA-CE1 3.5Å; S572-F665 VanDerWaalsContact CA-CZ 3.43Å; S572-F665 VanDerWaalsContact N-CZ 3.32Å |
| 573 | K | 90.6 | Very high | 92.4 | Very high | 182 Ų | 182 | 76.6 Ų | 76.6 | 79% | 0.791 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -91.9 | -36.4 | 176.1 | -64.4 | 175.7 | -176.4 | 176.1 | 0 | 113.4 | K570 L571 | K570-K573 PolarHBondContact O-N 2.78Å; L571-K573 PolarHBondContact O-N 2.86Å; L571-K573 VanDerWaalsContact O-N 3.15Å |
| 574 | K | 89.7 | Confident | 92.4 | Very high | 185 Ų | 185 | 70.2 Ų | 70.2 | 80% | 0.804 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -89.5 | -20.3 | -176.4 | -71.7 | -172.6 | 175.9 | -175 | 0 | 113.9 | K570 L571 | K570-K574 PolarHBondContact O-N 2.76Å; L571-K574 PolarHBondContact O-N 3.13Å |
| 575 | G | 87.4 | Confident | 92.5 | Very high | 42 Ų | 42 | 72 Ų | 72 | 43% | 0.433 | 37% | 0.366 | S | S | . | . | trans | 94.3 | 160.5 | -165.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L571 | L571-G575 CarbonylContact O-C 3.57Å; L571-G575 WeakPolarHBondContact O-CA 3.37Å; L571-G575 PolarHBondContact O-N 3.32Å | ||
| 576 | I | 87.3 | Confident | 92.5 | Very high | 35 Ų | 35 | 70.9 Ų | 70.9 | 18% | 0.179 | 36% | 0.36 | C | S | . | . | trans | -97.3 | 130.8 | 174.8 | -87.9 | 170.6 | 0 | 0 | 0 | 109.4 | L571 L578 H583 L587 F665 | L571-I576 HydrophobicContact CB-CG1 4.22Å; L571-I576 HydrophobicContact CD1-CG1 4.33Å; I576-L578 HydrophobicContact CG2-CD2 3.55Å; I576-L578 HydrophobicContact CG2-CG 4.12Å; I576-H583 HydrophobicContact CG2-CB 4.35Å; I576-L587 HydrophobicContact CD1-CB 3.85Å; I576-L587 HydrophobicContact CD1-CD1 4.02Å; I576-L587 HydrophobicContact CD1-CD2 3.84Å; I576-L587 HydrophobicContact CD1-CG 4.12Å; I576-F665 HydrophobicContact CD1-CD1 3.65Å; I576-F665 HydrophobicContact CD1-CE1 3.32Å; I576-F665 HydrophobicContact CD1-CG 4.43Å; I576-F665 HydrophobicContact CD1-CZ 3.85Å; I576-F665 HydrophobicContact CG1-CD1 4.22Å; I576-F665 HydrophobicContact CG1-CE1 3.62Å; I576-F665 HydrophobicContact CG1-CZ 4.31Å | ||
| 577 | D | 90.1 | Very high | 92.5 | Very high | 76 Ų | 76 | 67.7 Ų | 67.7 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | trans | -84.9 | 116.9 | 163.5 | -171.9 | -15.9 | 0 | 0 | 0 | 109.1 | T579 D580 H583 | D577-T579 VanDerWaalsContact C-N 3.3Å; D577-T579 WeakPolarHBondContact OD1-CB 3.16Å; D577-T579 PolarHBondContact OD1-N 3.04Å; D577-T579 PolarHBondContact OD1-OG1 3.48Å; D577-T579 PolarHBondContact OD2-OG1 3.05Å; D577-D580 HydrophobicContact CB-CB 4.17Å; D577-D580 PolarHBondContact O-N 2.81Å; D577-H583 WeakPolarHBondContact CB-ND1 3.29Å; D577-H583 PolarHBondContact N-ND1 3.3Å; D577-H583 VanDerWaalsContact O-CB 3.3Å; D577-H583 WeakPolarHBondContact O-CB 3.45Å; D577-H583 PolarHBondContact O-ND1 2.88Å | ||
| 578 | L | 84.6 | Confident | 92.5 | Very high | 57 Ų | 57 | 65.2 Ų | 65.2 | 30% | 0.298 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -7 | -177.8 | -61.6 | 170.3 | 0 | 0 | 0 | 113.7 | F468 I576 R584 | F468-L578 HydrophobicContact CB-CD2 3.81Å; F468-L578 HydrophobicContact CD1-CD1 3.24Å; F468-L578 HydrophobicContact CD1-CD2 3.82Å; F468-L578 HydrophobicContact CD1-CG 4.17Å; F468-L578 HydrophobicContact CD2-CD2 3.7Å; F468-L578 HydrophobicContact CE1-CD1 3.41Å; F468-L578 VanDerWaalsContact CE1-CD1 3.41Å; F468-L578 HydrophobicContact CE1-CD2 4.29Å; F468-L578 HydrophobicContact CE1-CG 4.41Å; F468-L578 HydrophobicContact CE2-CD2 4.16Å; F468-L578 HydrophobicContact CG-CD1 3.89Å; F468-L578 HydrophobicContact CG-CD2 3.5Å; F468-L578 VanDerWaalsContact CG-CD2 3.5Å; F468-L578 HydrophobicContact CG-CG 4.35Å; F468-L578 HydrophobicContact CZ-CD1 4.14Å; F468-L578 HydrophobicContact CZ-CD2 4.44Å; I576-L578 HydrophobicContact CG2-CD2 3.55Å; I576-L578 HydrophobicContact CG2-CG 4.12Å; L578-R584 VanDerWaalsContact O-CD 3.29Å; L578-R584 WeakPolarHBondContact O-CD 3.43Å; L578-R584 PolarHBondContact O-NH1 3.34Å; L578-R584 VanDerWaalsContact O-NH1 3.16Å |
| 579 | T | 90.3 | Very high | 92.6 | Very high | 125 Ų | 125 | 65.3 Ų | 65.3 | 77% | 0.767 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -14.5 | 172 | 68.6 | 0 | 0 | 0 | 0 | 112 | D577 | D577-T579 VanDerWaalsContact C-N 3.3Å; D577-T579 WeakPolarHBondContact OD1-CB 3.16Å; D577-T579 PolarHBondContact OD1-N 3.04Å; D577-T579 PolarHBondContact OD1-OG1 3.48Å; D577-T579 PolarHBondContact OD2-OG1 3.05Å |
| 580 | D | 94.1 | Very high | 92.8 | Very high | 57 Ų | 57 | 61.4 Ų | 61.4 | 31% | 0.305 | 31% | 0.307 | S | S | . | . | trans | -89.7 | 115.4 | 176.4 | -170.7 | -38.7 | 0 | 0 | 0 | 110.7 | D577 E582 H583 R584 | D577-D580 HydrophobicContact CB-CB 4.17Å; D577-D580 PolarHBondContact O-N 2.81Å; D580-E582 VanDerWaalsContact C-N 3.27Å; D580-E582 PolarHBondContact O-N 2.71Å; D580-E582 WeakPolarHBondContact OD1-CA 3.38Å; D580-E582 VanDerWaalsContact OD1-CB 3.24Å; D580-E582 WeakPolarHBondContact OD1-CB 3.44Å; D580-E582 PolarHBondContact OD1-N 3.41Å; D580-H583 HydrophobicContact CB-CB 4.09Å; D580-H583 PolarHBondContact O-N 3.27Å; D580-H583 PolarHBondContact OD1-N 2.97Å; D580-H583 IonicContact OD2-CE1 3.06Å; D580-H583 IonicContact OD2-NE2 3.3Å; D580-R584 VanDerWaalsContact O-CG 3.29Å; D580-R584 WeakPolarHBondContact O-CG 3.37Å; D580-R584 PolarHBondContact O-N 3.15Å | ||
| 581 | E | 93.5 | Very high | 93 | Very high | 112 Ų | 112 | 55.9 Ų | 55.9 | 52% | 0.523 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66 | -25.7 | 179.2 | -83.3 | -58.4 | 143.6 | 0 | 0 | 114 | R584 Y585 R588 | E581-R584 WeakPolarHBondContact OE1-CD 3.29Å; E581-R584 IonicContact OE1-NE 3.57Å; E581-R584 PolarHBondContact OE1-NE 2.87Å; E581-R584 VanDerWaalsContact OE1-NE 3.07Å; E581-R584 IonicContact OE2-NE 3.93Å; E581-Y585 VanDerWaalsContact O-CB 3.27Å; E581-Y585 WeakPolarHBondContact O-CB 3.49Å; E581-Y585 PolarHBondContact O-N 3.37Å; E581-R588 IonicContact OE2-CZ 2.6Å; E581-R588 IonicContact OE2-NH1 3.7Å; E581-R588 IonicContact OE2-NH2 2.91Å; E581-R588 PolarHBondContact OE2-NH2 3.25Å |
| 582 | E | 94.4 | Very high | 93.2 | Very high | 124 Ų | 124 | 55.1 Ų | 55.1 | 58% | 0.579 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -70.6 | -43.5 | 175.8 | -161.9 | -176.8 | 168 | 0 | 0 | 110.4 | D580 Y585 M586 | D580-E582 VanDerWaalsContact C-N 3.27Å; D580-E582 PolarHBondContact O-N 2.71Å; D580-E582 WeakPolarHBondContact OD1-CA 3.38Å; D580-E582 VanDerWaalsContact OD1-CB 3.24Å; D580-E582 WeakPolarHBondContact OD1-CB 3.44Å; D580-E582 PolarHBondContact OD1-N 3.41Å; E582-Y585 PolarHBondContact O-N 2.93Å; E582-M586 HydrophobicContact CG-CE 4.07Å; E582-M586 WeakPolarHBondContact O-CG 3.44Å; E582-M586 PolarHBondContact O-N 3.49Å |
| 583 | H | 95 | Very high | 93.6 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 172.7 | -68.3 | 176.4 | 0 | 0 | 0 | 111.7 | L571 I576 D577 D580 Y585 M586 L587 | L571-H583 HydrophobicContact CD1-CB 4.44Å; L571-H583 WeakPolarHBondContact CD2-NE2 3.35Å; I576-H583 HydrophobicContact CG2-CB 4.35Å; D577-H583 WeakPolarHBondContact CB-ND1 3.29Å; D577-H583 PolarHBondContact N-ND1 3.3Å; D577-H583 VanDerWaalsContact O-CB 3.3Å; D577-H583 WeakPolarHBondContact O-CB 3.45Å; D577-H583 PolarHBondContact O-ND1 2.88Å; D580-H583 HydrophobicContact CB-CB 4.09Å; D580-H583 PolarHBondContact O-N 3.27Å; D580-H583 PolarHBondContact OD1-N 2.97Å; D580-H583 IonicContact OD2-CE1 3.06Å; D580-H583 IonicContact OD2-NE2 3.3Å; H583-Y585 VanDerWaalsContact C-N 3.33Å; H583-Y585 PolarHBondContact O-N 2.84Å; H583-M586 PolarHBondContact O-N 3.37Å; H583-L587 PolarHBondContact O-N 3.45Å |
| 584 | R | 95.5 | Very high | 94 | Very high | 25 Ų | 25 | 45 Ų | 45 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 175.6 | -66.7 | 169.5 | 74.2 | 73.9 | 10.4 | 111.4 | F468 Y469 E473 L578 D580 E581 L587 R588 | F468-R584 VanDerWaalsContact O-CZ 3.25Å; F468-R584 PolarHBondContact O-NH1 3.15Å; F468-R584 PolarHBondContact O-NH2 3Å; Y469-R584 HydrophobicContact CE1-CB 4.29Å; Y469-R584 PolarHBondContact OH-O 3.48Å; E473-R584 IonicContact OE1-CZ 2.64Å; E473-R584 IonicContact OE1-NE 3.81Å; E473-R584 IonicContact OE1-NH2 2.73Å; E473-R584 PolarHBondContact OE1-NH2 3.13Å; E473-R584 IonicContact OE2-NH2 3.32Å; E473-R584 PolarHBondContact OE2-NH2 2.96Å; L578-R584 VanDerWaalsContact O-CD 3.29Å; L578-R584 WeakPolarHBondContact O-CD 3.43Å; L578-R584 PolarHBondContact O-NH1 3.34Å; L578-R584 VanDerWaalsContact O-NH1 3.16Å; D580-R584 VanDerWaalsContact O-CG 3.29Å; D580-R584 WeakPolarHBondContact O-CG 3.37Å; D580-R584 PolarHBondContact O-N 3.15Å; E581-R584 WeakPolarHBondContact OE1-CD 3.29Å; E581-R584 IonicContact OE1-NE 3.57Å; E581-R584 PolarHBondContact OE1-NE 2.87Å; E581-R584 VanDerWaalsContact OE1-NE 3.07Å; E581-R584 IonicContact OE2-NE 3.93Å; R584-L587 PolarHBondContact O-N 3.32Å; R584-R588 WeakPolarHBondContact O-CG 3.39Å; R584-R588 PolarHBondContact O-N 2.56Å |
| 585 | Y | 95.7 | Very high | 94.4 | Very high | 47 Ų | 47 | 36.2 Ų | 36.2 | 18% | 0.184 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 175.6 | 164.6 | -96.9 | 0 | 0 | 0 | 112.2 | N551 N560 E581 E582 H583 L587 R588 S589 | N551-Y585 HydrophobicContact CB-CD2 4.08Å; N551-Y585 HydrophobicContact CB-CE2 3.87Å; N560-Y585 PolarHBondContact ND2-OH 2.75Å; E581-Y585 VanDerWaalsContact O-CB 3.27Å; E581-Y585 WeakPolarHBondContact O-CB 3.49Å; E581-Y585 PolarHBondContact O-N 3.37Å; E582-Y585 PolarHBondContact O-N 2.93Å; H583-Y585 VanDerWaalsContact C-N 3.33Å; H583-Y585 PolarHBondContact O-N 2.84Å; Y585-L587 VanDerWaalsContact C-N 3.31Å; Y585-L587 PolarHBondContact O-N 2.98Å; Y585-R588 PolarHBondContact O-N 3.23Å; Y585-S589 WeakPolarHBondContact O-CB 3.32Å; Y585-S589 PolarHBondContact O-N 2.64Å; Y585-S589 PolarHBondContact O-OG 3.35Å |
| 586 | M | 95.9 | Very high | 94.9 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 178.3 | -79.2 | -169.4 | -90.9 | 0 | 0 | 111.5 | D567 L568 L571 E582 H583 S589 L590 | D567-M586 HydrophobicContact CB-SD 3.79Å; L568-M586 HydrophobicContact CD2-CB 3.81Å; L568-M586 HydrophobicContact CG-CB 4.38Å; L571-M586 HydrophobicContact CD1-CB 4.46Å; L571-M586 HydrophobicContact CD1-CE 3.49Å; L571-M586 VanDerWaalsContact CD1-CE 3.49Å; L571-M586 HydrophobicContact CD1-SD 3.87Å; E582-M586 HydrophobicContact CG-CE 4.07Å; E582-M586 WeakPolarHBondContact O-CG 3.44Å; E582-M586 PolarHBondContact O-N 3.49Å; H583-M586 PolarHBondContact O-N 3.37Å; M586-S589 WeakPolarHBondContact O-CB 3.42Å; M586-S589 PolarHBondContact O-N 2.73Å; M586-L590 PolarHBondContact O-N 3.49Å |
| 587 | L | 95.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.8 | -40.7 | 176.9 | -179.9 | 64.4 | 0 | 0 | 0 | 112.3 | F468 Y469 I576 H583 R584 Y585 S589 L590 L591 I662 F665 F666 | F468-L587 HydrophobicContact CD2-CD2 3.92Å; F468-L587 HydrophobicContact CE2-CD2 4.48Å; Y469-L587 HydrophobicContact CE2-CD2 4.2Å; Y469-L587 HydrophobicContact CE2-CG 4.47Å; Y469-L587 WeakPolarHBondContact OH-CB 3.48Å; Y469-L587 WeakPolarHBondContact OH-CD2 3.44Å; Y469-L587 VanDerWaalsContact OH-CG 3.24Å; Y469-L587 WeakPolarHBondContact OH-CG 3.27Å; I576-L587 HydrophobicContact CD1-CB 3.85Å; I576-L587 HydrophobicContact CD1-CD1 4.02Å; I576-L587 HydrophobicContact CD1-CD2 3.84Å; I576-L587 HydrophobicContact CD1-CG 4.12Å; H583-L587 PolarHBondContact O-N 3.45Å; R584-L587 PolarHBondContact O-N 3.32Å; Y585-L587 VanDerWaalsContact C-N 3.31Å; Y585-L587 PolarHBondContact O-N 2.98Å; L587-S589 VanDerWaalsContact C-N 3.28Å; L587-S589 PolarHBondContact O-N 2.69Å; L587-L590 PolarHBondContact O-N 2.81Å; L587-L591 HydrophobicContact CG-CD1 4.4Å; L587-L591 VanDerWaalsContact O-CG 3.28Å; L587-L591 WeakPolarHBondContact O-CG 3.38Å; L587-L591 PolarHBondContact O-N 3.37Å; L587-I662 HydrophobicContact CD1-CD1 4.39Å; L587-F665 HydrophobicContact CD1-CD2 4.44Å; L587-F665 HydrophobicContact CD1-CG 4.47Å; L587-F666 HydrophobicContact CD1-CE2 4.01Å; L587-F666 HydrophobicContact CD1-CZ 4.29Å; L587-F666 HydrophobicContact CD2-CZ 4.15Å |
| 588 | R | 96.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 4% | 0.038 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 172.5 | -73 | -177 | -70.3 | -108.7 | -1.8 | 111.6 | Y469 E473 I477 V552 E581 R584 Y585 L591 M592 | Y469-R588 HydrophobicContact CD1-CG 4.21Å; Y469-R588 HydrophobicContact CE1-CG 3.4Å; Y469-R588 VanDerWaalsContact CE1-CG 3.4Å; Y469-R588 HydrophobicContact CE2-CG 4.23Å; Y469-R588 VanDerWaalsContact CZ-CG 3.41Å; Y469-R588 WeakPolarHBondContact OH-CG 3.44Å; Y469-R588 PolarHBondContact OH-N 3.31Å; Y469-R588 VanDerWaalsContact OH-N 3.15Å; E473-R588 IonicContact OE1-NH1 2.72Å; E473-R588 PolarHBondContact OE1-NH1 3.16Å; I477-R588 HydrophobicContact CD1-CG 3.83Å; I477-R588 HydrophobicContact CG1-CG 4.4Å; V552-R588 HydrophobicContact CG2-CB 4.3Å; E581-R588 IonicContact OE2-CZ 2.6Å; E581-R588 IonicContact OE2-NH1 3.7Å; E581-R588 IonicContact OE2-NH2 2.91Å; E581-R588 PolarHBondContact OE2-NH2 3.25Å; R584-R588 WeakPolarHBondContact O-CG 3.39Å; R584-R588 PolarHBondContact O-N 2.56Å; Y585-R588 PolarHBondContact O-N 3.23Å; R588-L591 WeakPolarHBondContact O-CB 3.35Å; R588-L591 PolarHBondContact O-N 3.16Å; R588-M592 PolarHBondContact O-N 2.9Å |
| 589 | S | 97.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 177.8 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | I564 Y585 M586 L587 L591 M592 T593 | I564-S589 VanDerWaalsContact CD1-CB 3.49Å; Y585-S589 WeakPolarHBondContact O-CB 3.32Å; Y585-S589 PolarHBondContact O-N 2.64Å; Y585-S589 PolarHBondContact O-OG 3.35Å; M586-S589 WeakPolarHBondContact O-CB 3.42Å; M586-S589 PolarHBondContact O-N 2.73Å; L587-S589 VanDerWaalsContact C-N 3.28Å; L587-S589 PolarHBondContact O-N 2.69Å; S589-L591 VanDerWaalsContact C-N 3.35Å; S589-L591 PolarHBondContact O-N 2.76Å; S589-M592 WeakPolarHBondContact O-CB 3.47Å; S589-M592 PolarHBondContact O-N 3.19Å; S589-T593 PolarHBondContact O-N 2.8Å; S589-T593 VanDerWaalsContact O-N 3.1Å; S589-T593 PolarHBondContact O-OG1 3.48Å |
| 590 | L | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 175.5 | -179.9 | 61.7 | 0 | 0 | 0 | 112.1 | Y561 L568 M586 L587 M592 T593 V594 V658 M661 I662 F665 | Y561-L590 HydrophobicContact CE2-CD1 4.23Å; L568-L590 HydrophobicContact CD1-CB 4.05Å; L568-L590 HydrophobicContact CD1-CD1 4.35Å; L568-L590 HydrophobicContact CD2-CB 4.27Å; L568-L590 HydrophobicContact CD2-CD2 4.29Å; M586-L590 PolarHBondContact O-N 3.49Å; L587-L590 PolarHBondContact O-N 2.81Å; L590-M592 VanDerWaalsContact C-N 3.29Å; L590-M592 PolarHBondContact O-N 2.72Å; L590-T593 PolarHBondContact O-N 2.8Å; L590-V594 HydrophobicContact CD1-CG2 4.29Å; L590-V594 HydrophobicContact CG-CG2 4.39Å; L590-V594 WeakPolarHBondContact O-CB 3.35Å; L590-V594 VanDerWaalsContact O-CG2 3.26Å; L590-V594 WeakPolarHBondContact O-CG2 2.94Å; L590-V594 PolarHBondContact O-N 3.32Å; L590-V658 HydrophobicContact CD1-CG1 4.23Å; L590-M661 HydrophobicContact CD2-CB 4.31Å; L590-M661 HydrophobicContact CD2-CG 3.7Å; L590-I662 HydrophobicContact CD2-CB 4.39Å; L590-I662 HydrophobicContact CD2-CD1 3.88Å; L590-I662 HydrophobicContact CG-CD1 4.14Å; L590-F665 HydrophobicContact CD2-CD2 3.98Å; L590-F665 HydrophobicContact CD2-CE2 3.94Å |
| 591 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.7 | -41.6 | 175.8 | -73.7 | 168.2 | 0 | 0 | 0 | 111.4 | F455 M458 I465 Y469 L587 R588 S589 V594 C595 I662 F666 | F455-L591 HydrophobicContact CE2-CD1 4.28Å; M458-L591 HydrophobicContact CE-CD2 3.37Å; M458-L591 HydrophobicContact SD-CD2 4.08Å; I465-L591 HydrophobicContact CD1-CD2 4.15Å; Y469-L591 HydrophobicContact CE2-CD1 3.71Å; L587-L591 HydrophobicContact CG-CD1 4.4Å; L587-L591 VanDerWaalsContact O-CG 3.28Å; L587-L591 WeakPolarHBondContact O-CG 3.38Å; L587-L591 PolarHBondContact O-N 3.37Å; R588-L591 WeakPolarHBondContact O-CB 3.35Å; R588-L591 PolarHBondContact O-N 3.16Å; S589-L591 VanDerWaalsContact C-N 3.35Å; S589-L591 PolarHBondContact O-N 2.76Å; L591-V594 PolarHBondContact O-N 3.41Å; L591-C595 PolarHBondContact O-N 3.35Å; L591-C595 PolarHBondContact O-SG 3.43Å; L591-I662 HydrophobicContact CD2-CD1 4.06Å; L591-F666 HydrophobicContact CD2-CE2 4.3Å |
| 592 | M | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.1 | -51.2 | 174.9 | -171.1 | 60.7 | -130.8 | 0 | 0 | 111.5 | H484 V552 R588 S589 L590 V594 C595 D596 | H484-M592 HydrophobicContact CB-CE 4.04Å; V552-M592 HydrophobicContact CG1-CB 3.9Å; V552-M592 HydrophobicContact CG1-CG 3.92Å; V552-M592 HydrophobicContact CG1-SD 3.7Å; V552-M592 WeakPolarHBondContact O-CG 3.38Å; R588-M592 PolarHBondContact O-N 2.9Å; S589-M592 WeakPolarHBondContact O-CB 3.47Å; S589-M592 PolarHBondContact O-N 3.19Å; L590-M592 VanDerWaalsContact C-N 3.29Å; L590-M592 PolarHBondContact O-N 2.72Å; M592-V594 VanDerWaalsContact C-N 3.25Å; M592-V594 PolarHBondContact O-N 2.92Å; M592-C595 PolarHBondContact O-N 2.83Å; M592-D596 HydrophobicContact CE-CB 3.94Å; M592-D596 WeakPolarHBondContact O-CB 3.37Å; M592-D596 PolarHBondContact O-N 2.85Å |
| 593 | T | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.006 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -56.1 | -42.6 | 179.3 | -49.7 | 0 | 0 | 0 | 0 | 111.3 | L558 Y561 S589 L590 C595 V597 V658 | L558-T593 HydrophobicContact CD2-CG2 4.21Å; Y561-T593 HydrophobicContact CD2-CG2 4.11Å; Y561-T593 HydrophobicContact CG-CG2 4.16Å; S589-T593 PolarHBondContact O-N 2.8Å; S589-T593 VanDerWaalsContact O-N 3.1Å; S589-T593 PolarHBondContact O-OG1 3.48Å; L590-T593 PolarHBondContact O-N 2.8Å; T593-C595 PolarHBondContact O-N 3.02Å; T593-V597 WeakPolarHBondContact O-CG2 3.5Å; T593-V597 PolarHBondContact O-N 2.77Å; T593-V597 VanDerWaalsContact O-N 3.12Å; T593-V658 HydrophobicContact CG2-CG1 4.3Å; T593-V658 HydrophobicContact CG2-CG2 4.04Å |
| 594 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 176.1 | 165.2 | 0 | 0 | 0 | 0 | 111.9 | F454 M458 L590 L591 M592 S598 V658 F659 I662 M669 | F454-V594 HydrophobicContact CD1-CG1 4.22Å; F454-V594 HydrophobicContact CE1-CG1 3.64Å; M458-V594 HydrophobicContact CE-CG1 4.34Å; M458-V594 HydrophobicContact SD-CG1 3.97Å; L590-V594 HydrophobicContact CD1-CG2 4.29Å; L590-V594 HydrophobicContact CG-CG2 4.39Å; L590-V594 WeakPolarHBondContact O-CB 3.35Å; L590-V594 VanDerWaalsContact O-CG2 3.26Å; L590-V594 WeakPolarHBondContact O-CG2 2.94Å; L590-V594 PolarHBondContact O-N 3.32Å; L591-V594 PolarHBondContact O-N 3.41Å; M592-V594 VanDerWaalsContact C-N 3.25Å; M592-V594 PolarHBondContact O-N 2.92Å; V594-S598 WeakPolarHBondContact O-CB 3.37Å; V594-S598 PolarHBondContact O-N 3.49Å; V594-V658 HydrophobicContact CB-CG1 4.43Å; V594-V658 HydrophobicContact CG2-CG1 3.49Å; V594-V658 VanDerWaalsContact CG2-CG1 3.49Å; V594-F659 HydrophobicContact CG1-CD1 4.48Å; V594-F659 HydrophobicContact CG1-CE1 3.68Å; V594-F659 HydrophobicContact CG1-CZ 3.96Å; V594-F659 WeakPolarHBondContact O-CZ 3.5Å; V594-I662 HydrophobicContact CG2-CB 3.85Å; V594-I662 HydrophobicContact CG2-CG1 4.05Å; V594-I662 HydrophobicContact CG2-CG2 3.91Å; V594-M669 HydrophobicContact CG1-CE 4.26Å |
| 595 | C | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71 | -42.1 | -178.5 | -65.8 | 0 | 0 | 0 | 0 | 112 | A451 F455 L591 M592 T593 S598 | A451-C595 WeakPolarHBondContact CA-O 3.47Å; A451-C595 HydrophobicContact CB-CB 4.21Å; F455-C595 VanDerWaalsContact CB-SG 3.6Å; L591-C595 PolarHBondContact O-N 3.35Å; L591-C595 PolarHBondContact O-SG 3.43Å; M592-C595 PolarHBondContact O-N 2.83Å; T593-C595 PolarHBondContact O-N 3.02Å; C595-S598 WeakPolarHBondContact O-CB 3.35Å; C595-S598 PolarHBondContact O-N 2.98Å; C595-S598 PolarHBondContact O-OG 2.9Å |
| 596 | D | 98.5 | Very high | 97.5 | Very high | 23 Ų | 23 | 17.2 Ų | 17.2 | 12% | 0.123 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.7 | -53.5 | 177.2 | -178.3 | 1 | 0 | 0 | 0 | 110.8 | H447 H484 M592 S598 | H447-D596 PolarHBondContact CE1-O 2.99Å; H447-D596 IonicContact CE1-OD1 3.89Å; H447-D596 PolarHBondContact CE1-OD1 2.97Å; H447-D596 VanDerWaalsContact CE1-OD1 3.22Å; H447-D596 IonicContact NE2-OD1 3.43Å; H447-D596 PolarHBondContact NE2-OD1 3.34Å; H484-D596 IonicContact NE2-OD1 3.8Å; M592-D596 HydrophobicContact CE-CB 3.94Å; M592-D596 WeakPolarHBondContact O-CB 3.37Å; M592-D596 PolarHBondContact O-N 2.85Å; D596-S598 PolarHBondContact O-N 2.83Å; D596-S598 VanDerWaalsContact O-N 3.16Å |
| 597 | V | 98 | Very high | 97.6 | Very high | 9 Ų | 9 | 16.8 Ų | 16.8 | 6% | 0.055 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -83.6 | 11.5 | -179.3 | -58 | 0 | 0 | 0 | 0 | 114.8 | T593 D599 Q600 F650 I655 F659 | T593-V597 WeakPolarHBondContact O-CG2 3.5Å; T593-V597 PolarHBondContact O-N 2.77Å; T593-V597 VanDerWaalsContact O-N 3.12Å; V597-D599 VanDerWaalsContact C-N 3.28Å; V597-D599 PolarHBondContact O-N 2.93Å; V597-Q600 PolarHBondContact O-N 2.94Å; V597-F650 HydrophobicContact CG1-CZ 4.3Å; V597-I655 HydrophobicContact CB-CD1 3.65Å; V597-I655 HydrophobicContact CG1-CD1 4.18Å; V597-I655 HydrophobicContact CG2-CD1 3.84Å; V597-F659 HydrophobicContact CG2-CE2 3.78Å; V597-F659 HydrophobicContact CG2-CZ 4.43Å |
| 598 | S | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -64.3 | -25.6 | -169.5 | 65.2 | 0 | 0 | 0 | 0 | 114.9 | F454 V594 C595 D596 Q600 V601 K602 | F454-S598 VanDerWaalsContact CG-CB 3.44Å; V594-S598 WeakPolarHBondContact O-CB 3.37Å; V594-S598 PolarHBondContact O-N 3.49Å; C595-S598 WeakPolarHBondContact O-CB 3.35Å; C595-S598 PolarHBondContact O-N 2.98Å; C595-S598 PolarHBondContact O-OG 2.9Å; D596-S598 PolarHBondContact O-N 2.83Å; D596-S598 VanDerWaalsContact O-N 3.16Å; S598-Q600 PolarHBondContact O-N 2.97Å; S598-Q600 VanDerWaalsContact O-N 3.13Å; S598-V601 WeakPolarHBondContact O-CG2 3.36Å; S598-V601 PolarHBondContact O-N 3.23Å; S598-V601 VanDerWaalsContact O-N 3.14Å; S598-K602 PolarHBondContact O-N 3.44Å |
| 599 | D | 97.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -60.6 | -24.8 | 178 | -80.3 | -18.6 | 0 | 0 | 0 | 112.6 | H395 S450 V597 V601 K602 S607 A610 | H395-D599 IonicContact CD2-OD1 2.71Å; H395-D599 IonicContact CD2-OD2 3.07Å; H395-D599 IonicContact CE1-OD2 3.12Å; H395-D599 IonicContact NE2-OD1 3.27Å; H395-D599 IonicContact NE2-OD2 2.84Å; H395-D599 PolarHBondContact NE2-OD2 3.39Å; S450-D599 PolarHBondContact OG-OD1 3.32Å; V597-D599 VanDerWaalsContact C-N 3.28Å; V597-D599 PolarHBondContact O-N 2.93Å; D599-V601 VanDerWaalsContact C-N 3.31Å; D599-V601 PolarHBondContact O-N 3.45Å; D599-K602 WeakPolarHBondContact OD1-CD 3.03Å; D599-K602 WeakPolarHBondContact OD1-CE 3.46Å; D599-S607 WeakPolarHBondContact O-CA 3.35Å; D599-A610 HydrophobicContact CB-CB 3.8Å |
| 600 | Q | 98 | Very high | 97.7 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -73.6 | -20.8 | 179.8 | -57 | -53.2 | -28 | 0 | 0 | 114 | V597 S598 S607 F650 F651 I655 N679 | V597-Q600 PolarHBondContact O-N 2.94Å; S598-Q600 PolarHBondContact O-N 2.97Å; S598-Q600 VanDerWaalsContact O-N 3.13Å; Q600-S607 PolarHBondContact OE1-OG 3.16Å; Q600-F650 HydrophobicContact CG-CE1 3.9Å; Q600-F651 HydrophobicContact CB-CE2 4.42Å; Q600-F651 HydrophobicContact CB-CZ 3.96Å; Q600-F651 WeakPolarHBondContact O-CZ 3.48Å; Q600-I655 HydrophobicContact CB-CD1 3.87Å; Q600-I655 HydrophobicContact CB-CG1 4Å; Q600-I655 HydrophobicContact CB-CG2 4Å; Q600-I655 HydrophobicContact CG-CD1 3.71Å; Q600-I655 HydrophobicContact CG-CG1 4.1Å; Q600-N679 PolarHBondContact O-ND2 3.04Å |
| 601 | V | 97.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -110.2 | 9.8 | -179.7 | -62 | 0 | 0 | 0 | 0 | 112.9 | F454 S598 D599 I655 F659 V672 N675 | F454-V601 HydrophobicContact CE2-CG2 4.42Å; F454-V601 HydrophobicContact CZ-CG2 4.41Å; S598-V601 WeakPolarHBondContact O-CG2 3.36Å; S598-V601 PolarHBondContact O-N 3.23Å; S598-V601 VanDerWaalsContact O-N 3.14Å; D599-V601 VanDerWaalsContact C-N 3.31Å; D599-V601 PolarHBondContact O-N 3.45Å; V601-I655 HydrophobicContact CG1-CG2 3.72Å; V601-F659 HydrophobicContact CB-CE1 4.38Å; V601-F659 HydrophobicContact CB-CE2 4.28Å; V601-F659 HydrophobicContact CB-CZ 4.22Å; V601-F659 HydrophobicContact CG1-CD1 4.2Å; V601-F659 HydrophobicContact CG1-CD2 3.46Å; V601-F659 VanDerWaalsContact CG1-CD2 3.46Å; V601-F659 HydrophobicContact CG1-CE1 4.23Å; V601-F659 HydrophobicContact CG1-CE2 3.48Å; V601-F659 VanDerWaalsContact CG1-CE2 3.48Å; V601-F659 HydrophobicContact CG1-CG 3.85Å; V601-F659 HydrophobicContact CG1-CZ 3.9Å; V601-F659 HydrophobicContact CG2-CD1 4.2Å; V601-F659 HydrophobicContact CG2-CD2 4.42Å; V601-F659 HydrophobicContact CG2-CE1 3.52Å; V601-F659 HydrophobicContact CG2-CE2 3.77Å; V601-F659 HydrophobicContact CG2-CZ 3.29Å; V601-V672 HydrophobicContact CB-CG1 3.75Å; V601-V672 HydrophobicContact CG1-CG1 4.49Å; V601-V672 HydrophobicContact CG2-CG1 3.43Å; V601-V672 VanDerWaalsContact CG2-CG1 3.43Å; V601-N675 PolarHBondContact O-ND2 3.26Å |
| 602 | K | 96.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -77.1 | -164.1 | 165.9 | -68.1 | 178.6 | -171.1 | -72.5 | 0 | 109.9 | F390 Y392 S450 S598 D599 T606 N675 N679 | F390-K602 WeakPolarHBondContact O-CG 3.32Å; Y392-K602 PolarHBondContact O-NZ 3.45Å; S450-K602 VanDerWaalsContact OG-CE 3.24Å; S450-K602 WeakPolarHBondContact OG-CE 3.2Å; S598-K602 PolarHBondContact O-N 3.44Å; D599-K602 WeakPolarHBondContact OD1-CD 3.03Å; D599-K602 WeakPolarHBondContact OD1-CE 3.46Å; K602-T606 HydrophobicContact CB-CG2 3.92Å; K602-T606 HydrophobicContact CD-CG2 3.74Å; K602-T606 HydrophobicContact CG-CG2 4.46Å; K602-N675 VanDerWaalsContact C-ND2 3.34Å; K602-N675 PolarHBondContact O-ND2 3.23Å; K602-N679 PolarHBondContact O-ND2 2.97Å |
| 603 | T | 96.9 | Very high | 97.6 | Very high | 59 Ų | 59 | 31 Ų | 31 | 36% | 0.362 | 16% | 0.155 | S | C | . | . | trans | -61.3 | 155.1 | 176.5 | 71.7 | 0 | 0 | 0 | 0 | 112 | K605 T606 S607 | T603-K605 PolarHBondContact O-N 3.34Å; T603-K605 VanDerWaalsContact O-N 3.16Å; T603-T606 WeakPolarHBondContact O-CA 3.45Å; T603-T606 WeakPolarHBondContact O-CB 3.19Å; T603-T606 PolarHBondContact O-N 3.23Å; T603-T606 PolarHBondContact OG1-N 3.13Å; T603-T606 PolarHBondContact OG1-OG1 3Å; T603-T606 VanDerWaalsContact OG1-OG1 3.12Å; T603-S607 PolarHBondContact O-N 2.81Å | ||
| 604 | W | 97.4 | Very high | 97.6 | Very high | 65 Ų | 65 | 31.9 Ų | 31.9 | 25% | 0.246 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -50.2 | -41.3 | 175.9 | 170.4 | -120.4 | 0 | 0 | 0 | 113.2 | T606 S607 R608 N679 C682 Y683 M686 | W604-T606 VanDerWaalsContact C-N 3.29Å; W604-T606 PolarHBondContact O-N 3.48Å; W604-S607 PolarHBondContact O-N 2.98Å; W604-R608 HydrophobicContact CD2-CB 4.47Å; W604-R608 HydrophobicContact CH2-CB 4.4Å; W604-R608 HydrophobicContact CH2-CG 4.46Å; W604-R608 HydrophobicContact CZ2-CB 4.24Å; W604-R608 HydrophobicContact CZ2-CG 4.19Å; W604-R608 VanDerWaalsContact O-CB 3.25Å; W604-R608 WeakPolarHBondContact O-CB 3.44Å; W604-R608 PolarHBondContact O-N 3.17Å; W604-N679 VanDerWaalsContact CA-OD1 3.26Å; W604-N679 WeakPolarHBondContact CA-OD1 3.35Å; W604-N679 HydrophobicContact CE3-CB 4.33Å; W604-N679 PolarHBondContact N-OD1 3.49Å; W604-C682 HydrophobicContact CD2-CB 3.61Å; W604-C682 HydrophobicContact CE3-CB 3.39Å; W604-C682 HydrophobicContact CG-CB 4.4Å; W604-C682 HydrophobicContact CH2-CB 3.65Å; W604-C682 HydrophobicContact CZ2-CB 3.86Å; W604-C682 HydrophobicContact CZ3-CB 3.41Å; W604-C682 VanDerWaalsContact CZ3-CB 3.41Å; W604-Y683 AromaticContact CH2-CD1 3.82Å; W604-Y683 HydrophobicContact CH2-CD1 3.82Å; W604-Y683 HydrophobicContact CH2-CD2 4.13Å; W604-Y683 AromaticContact CH2-CE1 3.75Å; W604-Y683 HydrophobicContact CH2-CE1 3.75Å; W604-Y683 HydrophobicContact CH2-CE2 4.07Å; W604-Y683 HydrophobicContact CH2-CG 4Å; W604-Y683 AromaticContact CH2-CZ 3.88Å; W604-Y683 HydrophobicContact CZ3-CD1 4.24Å; W604-Y683 AromaticContact CZ3-CD2 3.69Å; W604-Y683 HydrophobicContact CZ3-CD2 3.69Å; W604-Y683 HydrophobicContact CZ3-CE1 4.1Å; W604-Y683 AromaticContact CZ3-CE2 3.55Å; W604-Y683 HydrophobicContact CZ3-CE2 3.55Å; W604-Y683 HydrophobicContact CZ3-CG 4.03Å; W604-Y683 AromaticContact CZ3-CZ 3.76Å; W604-M686 HydrophobicContact CH2-SD 3.54Å; W604-M686 VanDerWaalsContact CH2-SD 3.54Å; W604-M686 HydrophobicContact CZ2-CG 4.4Å; W604-M686 HydrophobicContact CZ2-SD 3.4Å; W604-M686 WeakPolarHBondContact CZ2-SD 3.33Å |
| 605 | K | 97.1 | Very high | 97.5 | Very high | 166 Ų | 166 | 32.1 Ų | 32.1 | 72% | 0.722 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -59 | -42.8 | 177.1 | -176.3 | -178.8 | 177.5 | -176.8 | 0 | 111.3 | T603 A609 | T603-K605 PolarHBondContact O-N 3.34Å; T603-K605 VanDerWaalsContact O-N 3.16Å; K605-A609 VanDerWaalsContact O-CB 3.3Å; K605-A609 WeakPolarHBondContact O-CB 3.44Å; K605-A609 PolarHBondContact O-N 2.94Å; K605-A609 VanDerWaalsContact O-N 3.14Å |
| 606 | T | 96.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.8 | -49.5 | 179.3 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | S393 K602 T603 W604 R608 A609 A610 | S393-T606 WeakPolarHBondContact CB-OG1 3.48Å; K602-T606 HydrophobicContact CB-CG2 3.92Å; K602-T606 HydrophobicContact CD-CG2 3.74Å; K602-T606 HydrophobicContact CG-CG2 4.46Å; T603-T606 WeakPolarHBondContact O-CA 3.45Å; T603-T606 WeakPolarHBondContact O-CB 3.19Å; T603-T606 PolarHBondContact O-N 3.23Å; T603-T606 PolarHBondContact OG1-N 3.13Å; T603-T606 PolarHBondContact OG1-OG1 3Å; T603-T606 VanDerWaalsContact OG1-OG1 3.12Å; W604-T606 VanDerWaalsContact C-N 3.29Å; W604-T606 PolarHBondContact O-N 3.48Å; T606-R608 VanDerWaalsContact C-N 3.34Å; T606-R608 PolarHBondContact O-N 2.76Å; T606-A609 PolarHBondContact O-N 3.19Å; T606-A610 WeakPolarHBondContact O-CB 3.42Å; T606-A610 PolarHBondContact O-N 2.88Å |
| 607 | S | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.6 | -45.4 | 179 | 168.2 | 0 | 0 | 0 | 0 | 111.4 | D599 Q600 T603 W604 A609 A610 A611 | D599-S607 WeakPolarHBondContact O-CA 3.35Å; Q600-S607 PolarHBondContact OE1-OG 3.16Å; T603-S607 PolarHBondContact O-N 2.81Å; W604-S607 PolarHBondContact O-N 2.98Å; S607-A609 PolarHBondContact O-N 3.09Å; S607-A610 PolarHBondContact O-N 2.9Å; S607-A611 WeakPolarHBondContact O-CB 3Å; S607-A611 PolarHBondContact O-N 3.33Å |
| 608 | R | 97.3 | Very high | 97.4 | Very high | 136 Ų | 136 | 38.5 Ų | 38.5 | 51% | 0.513 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 177 | -168.5 | -175.6 | 73.1 | 174 | 2.9 | 112.6 | W604 T606 A612 | W604-R608 HydrophobicContact CD2-CB 4.47Å; W604-R608 HydrophobicContact CH2-CB 4.4Å; W604-R608 HydrophobicContact CH2-CG 4.46Å; W604-R608 HydrophobicContact CZ2-CB 4.24Å; W604-R608 HydrophobicContact CZ2-CG 4.19Å; W604-R608 VanDerWaalsContact O-CB 3.25Å; W604-R608 WeakPolarHBondContact O-CB 3.44Å; W604-R608 PolarHBondContact O-N 3.17Å; T606-R608 VanDerWaalsContact C-N 3.34Å; T606-R608 PolarHBondContact O-N 2.76Å; R608-A612 PolarHBondContact O-N 3.13Å |
| 609 | A | 97.3 | Very high | 97.3 | Very high | 37 Ų | 37 | 40 Ų | 40 | 31% | 0.306 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.2 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | K605 T606 S607 A612 R613 | K605-A609 VanDerWaalsContact O-CB 3.3Å; K605-A609 WeakPolarHBondContact O-CB 3.44Å; K605-A609 PolarHBondContact O-N 2.94Å; K605-A609 VanDerWaalsContact O-N 3.14Å; T606-A609 PolarHBondContact O-N 3.19Å; S607-A609 PolarHBondContact O-N 3.09Å; A609-A612 PolarHBondContact O-N 3.08Å; A609-R613 WeakPolarHBondContact O-CG 3.41Å; A609-R613 PolarHBondContact O-N 3.44Å |
| 610 | A | 97.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.2 | -48.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y442 D599 T606 S607 A612 R613 V614 | Y442-A610 HydrophobicContact CE2-CB 4Å; D599-A610 HydrophobicContact CB-CB 3.8Å; T606-A610 WeakPolarHBondContact O-CB 3.42Å; T606-A610 PolarHBondContact O-N 2.88Å; S607-A610 PolarHBondContact O-N 2.9Å; A610-A612 VanDerWaalsContact C-N 3.31Å; A610-A612 PolarHBondContact O-N 3.35Å; A610-R613 PolarHBondContact O-N 2.85Å; A610-R613 VanDerWaalsContact O-N 3.15Å; A610-V614 WeakPolarHBondContact O-CG2 3.19Å; A610-V614 PolarHBondContact O-N 3.4Å |
| 611 | A | 97.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.6 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | S607 R613 V614 F615 Q647 Y683 | S607-A611 WeakPolarHBondContact O-CB 3Å; S607-A611 PolarHBondContact O-N 3.33Å; A611-R613 VanDerWaalsContact C-N 3.32Å; A611-R613 PolarHBondContact O-N 3.35Å; A611-V614 PolarHBondContact O-N 3.45Å; A611-F615 WeakPolarHBondContact O-CD2 3.39Å; A611-F615 PolarHBondContact O-N 3.35Å; A611-Q647 HydrophobicContact CB-CG 4.21Å; A611-Y683 WeakPolarHBondContact CB-OH 3.42Å |
| 612 | A | 97.3 | Very high | 97.2 | Very high | 63 Ų | 63 | 42.1 Ų | 42.1 | 52% | 0.521 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.6 | -43.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R608 A609 A610 F615 E616 | R608-A612 PolarHBondContact O-N 3.13Å; A609-A612 PolarHBondContact O-N 3.08Å; A610-A612 VanDerWaalsContact C-N 3.31Å; A610-A612 PolarHBondContact O-N 3.35Å; A612-F615 PolarHBondContact O-N 3.12Å; A612-E616 PolarHBondContact O-N 2.83Å |
| 613 | R | 97.6 | Very high | 97.2 | Very high | 72 Ų | 72 | 44.7 Ų | 44.7 | 27% | 0.272 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.5 | -39.4 | 177.8 | -66.4 | 168.7 | -167.6 | 162 | -2.3 | 112.8 | H395 P441 Y442 A609 A610 A611 F615 E616 E617 | H395-R613 PolarHBondContact CE1-NH1 2.82Å; H395-R613 VanDerWaalsContact CG-NH1 3.31Å; H395-R613 PolarHBondContact ND1-NH1 3.26Å; P441-R613 HydrophobicContact CB-CB 4.3Å; P441-R613 VanDerWaalsContact O-CD 3.32Å; P441-R613 WeakPolarHBondContact O-CD 3.23Å; Y442-R613 HydrophobicContact CD2-CB 4.22Å; A609-R613 WeakPolarHBondContact O-CG 3.41Å; A609-R613 PolarHBondContact O-N 3.44Å; A610-R613 PolarHBondContact O-N 2.85Å; A610-R613 VanDerWaalsContact O-N 3.15Å; A611-R613 VanDerWaalsContact C-N 3.32Å; A611-R613 PolarHBondContact O-N 3.35Å; R613-F615 VanDerWaalsContact C-N 3.33Å; R613-F615 PolarHBondContact O-N 3.13Å; R613-E616 WeakPolarHBondContact O-CB 3.42Å; R613-E616 PolarHBondContact O-N 3.09Å; R613-E617 PolarHBondContact O-N 3.49Å; R613-E617 VanDerWaalsContact O-N 3.08Å |
| 614 | V | 97.3 | Very high | 97.2 | Very high | 19 Ų | 19 | 46.2 Ų | 46.2 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | Y442 A610 A611 E617 F618 | Y442-V614 HydrophobicContact CD1-CG2 3.57Å; Y442-V614 HydrophobicContact CD2-CG2 3.65Å; Y442-V614 HydrophobicContact CE1-CG2 3.82Å; Y442-V614 HydrophobicContact CE2-CG2 3.92Å; Y442-V614 HydrophobicContact CG-CG2 3.47Å; Y442-V614 VanDerWaalsContact CG-CG2 3.47Å; A610-V614 WeakPolarHBondContact O-CG2 3.19Å; A610-V614 PolarHBondContact O-N 3.4Å; A611-V614 PolarHBondContact O-N 3.45Å; V614-E617 PolarHBondContact O-N 3.08Å; V614-F618 HydrophobicContact CG1-CD1 4.45Å; V614-F618 HydrophobicContact CG1-CD2 4.06Å; V614-F618 HydrophobicContact CG1-CE1 4.03Å; V614-F618 HydrophobicContact CG1-CE2 3.59Å; V614-F618 HydrophobicContact CG1-CG 4.48Å; V614-F618 HydrophobicContact CG1-CZ 3.58Å; V614-F618 WeakPolarHBondContact O-CG 3.17Å; V614-F618 PolarHBondContact O-N 2.81Å |
| 615 | F | 97.5 | Very high | 97 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.2 | -33.8 | 177 | -85.6 | -78.7 | 0 | 0 | 0 | 113.1 | A611 A612 R613 E617 F618 F619 M635 V643 Q647 | A611-F615 WeakPolarHBondContact O-CD2 3.39Å; A611-F615 PolarHBondContact O-N 3.35Å; A612-F615 PolarHBondContact O-N 3.12Å; R613-F615 VanDerWaalsContact C-N 3.33Å; R613-F615 PolarHBondContact O-N 3.13Å; F615-E617 VanDerWaalsContact C-N 3.29Å; F615-E617 PolarHBondContact O-N 2.98Å; F615-F618 HydrophobicContact CD1-CD2 4.28Å; F615-F618 HydrophobicContact CE1-CD2 4.37Å; F615-F618 PolarHBondContact O-N 2.74Å; F615-F619 HydrophobicContact CB-CD2 4.47Å; F615-F619 HydrophobicContact CB-CE2 3.99Å; F615-F619 HydrophobicContact CB-CZ 4.12Å; F615-F619 AromaticContact CD1-CE1 3.81Å; F615-F619 HydrophobicContact CD1-CE1 3.81Å; F615-F619 HydrophobicContact CD1-CE2 4.36Å; F615-F619 AromaticContact CD1-CZ 3.63Å; F615-F619 HydrophobicContact CD1-CZ 3.63Å; F615-F619 HydrophobicContact CG-CZ 4.27Å; F615-F619 WeakPolarHBondContact O-CB 3.37Å; F615-F619 WeakPolarHBondContact O-CD2 3.14Å; F615-F619 WeakPolarHBondContact O-CG 3.25Å; F615-F619 PolarHBondContact O-N 2.83Å; F615-M635 HydrophobicContact CE1-CG 3.96Å; F615-M635 HydrophobicContact CZ-CG 4.42Å; F615-V643 HydrophobicContact CD1-CG2 3.87Å; F615-V643 HydrophobicContact CD2-CG1 3.7Å; F615-V643 HydrophobicContact CD2-CG2 4.35Å; F615-V643 HydrophobicContact CE1-CB 4.46Å; F615-V643 HydrophobicContact CE1-CG2 4.01Å; F615-V643 HydrophobicContact CE2-CB 4.31Å; F615-V643 HydrophobicContact CE2-CG1 3.65Å; F615-V643 HydrophobicContact CE2-CG2 4.48Å; F615-V643 HydrophobicContact CG-CG1 4.21Å; F615-V643 HydrophobicContact CG-CG2 4.04Å; F615-V643 HydrophobicContact CZ-CB 4.3Å; F615-V643 HydrophobicContact CZ-CG1 4.13Å; F615-V643 HydrophobicContact CZ-CG2 4.33Å; F615-Q647 HydrophobicContact CE2-CG 3.98Å |
| 616 | E | 97.5 | Very high | 96.9 | Very high | 115 Ų | 115 | 38.8 Ų | 38.8 | 54% | 0.537 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.4 | -42.6 | 171.9 | -172.4 | 175 | -168.9 | 0 | 0 | 111.5 | P441 A612 R613 A620 | P441-E616 HydrophobicContact CB-CB 4.13Å; P441-E616 HydrophobicContact CB-CG 4.15Å; P441-E616 HydrophobicContact CG-CB 4.24Å; P441-E616 HydrophobicContact CG-CG 3.84Å; A612-E616 PolarHBondContact O-N 2.83Å; R613-E616 WeakPolarHBondContact O-CB 3.42Å; R613-E616 PolarHBondContact O-N 3.09Å; E616-A620 WeakPolarHBondContact O-CB 3.27Å; E616-A620 PolarHBondContact O-N 2.88Å |
| 617 | E | 97.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 2% | 0.023 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66 | -46.1 | 172.6 | -77.7 | -167.5 | -164.6 | 0 | 0 | 113.3 | V440 P441 Y442 H443 G490 R613 V614 F615 F619 A620 Q621 | V440-E617 WeakPolarHBondContact CB-OE1 3.35Å; V440-E617 VanDerWaalsContact CG2-OE1 3.31Å; V440-E617 WeakPolarHBondContact CG2-OE1 3.28Å; P441-E617 HydrophobicContact CB-CG 3.85Å; P441-E617 HydrophobicContact CG-CG 3.68Å; Y442-E617 WeakPolarHBondContact CA-OE1 3.24Å; Y442-E617 PolarHBondContact N-OE1 2.85Å; H443-E617 IonicContact CE1-OE2 3.13Å; H443-E617 PolarHBondContact CE1-OE2 3.24Å; H443-E617 IonicContact CG-OE2 3.8Å; H443-E617 PolarHBondContact N-OE1 3.29Å; H443-E617 IonicContact ND1-OE1 3.96Å; H443-E617 IonicContact ND1-OE2 2.76Å; H443-E617 PolarHBondContact ND1-OE2 2.83Å; G490-E617 WeakPolarHBondContact CA-OE2 3.31Å; R613-E617 PolarHBondContact O-N 3.49Å; R613-E617 VanDerWaalsContact O-N 3.08Å; V614-E617 PolarHBondContact O-N 3.08Å; F615-E617 VanDerWaalsContact C-N 3.29Å; F615-E617 PolarHBondContact O-N 2.98Å; E617-F619 VanDerWaalsContact C-N 3.26Å; E617-F619 PolarHBondContact O-N 3.21Å; E617-A620 PolarHBondContact O-N 2.82Å; E617-A620 VanDerWaalsContact O-N 3.16Å; E617-Q621 PolarHBondContact O-N 3.44Å |
| 618 | F | 97.1 | Very high | 96.4 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 20% | 0.197 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 178.2 | -73.4 | -7.2 | 0 | 0 | 0 | 112.1 | V614 F615 Q621 G622 M635 M636 | V614-F618 HydrophobicContact CG1-CD1 4.45Å; V614-F618 HydrophobicContact CG1-CD2 4.06Å; V614-F618 HydrophobicContact CG1-CE1 4.03Å; V614-F618 HydrophobicContact CG1-CE2 3.59Å; V614-F618 HydrophobicContact CG1-CG 4.48Å; V614-F618 HydrophobicContact CG1-CZ 3.58Å; V614-F618 WeakPolarHBondContact O-CG 3.17Å; V614-F618 PolarHBondContact O-N 2.81Å; F615-F618 HydrophobicContact CD1-CD2 4.28Å; F615-F618 HydrophobicContact CE1-CD2 4.37Å; F615-F618 PolarHBondContact O-N 2.74Å; F618-Q621 PolarHBondContact O-N 3.35Å; F618-G622 PolarHBondContact O-N 3.02Å; F618-M635 HydrophobicContact CD2-CE 3.76Å; F618-M635 HydrophobicContact CD2-CG 4.23Å; F618-M635 HydrophobicContact CD2-SD 4.28Å; F618-M635 HydrophobicContact CE2-CE 3.38Å; F618-M635 HydrophobicContact CE2-CG 4.48Å; F618-M635 HydrophobicContact CE2-SD 3.94Å; F618-M635 HydrophobicContact CZ-CE 3.94Å; F618-M636 HydrophobicContact CB-CG 4.03Å; F618-M636 HydrophobicContact CD1-CE 3.95Å; F618-M636 HydrophobicContact CE1-CE 4.25Å; F618-M636 HydrophobicContact CG-CE 4.35Å; F618-M636 HydrophobicContact CG-CG 4.35Å |
| 619 | F | 97.8 | Very high | 96.2 | Very high | 34 Ų | 34 | 47.4 Ų | 47.4 | 15% | 0.149 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.1 | -39.4 | 176.5 | -62 | -22.9 | 0 | 0 | 0 | 111.9 | F615 E617 Q621 G622 D623 R638 A641 V643 | F615-F619 HydrophobicContact CB-CD2 4.47Å; F615-F619 HydrophobicContact CB-CE2 3.99Å; F615-F619 HydrophobicContact CB-CZ 4.12Å; F615-F619 AromaticContact CD1-CE1 3.81Å; F615-F619 HydrophobicContact CD1-CE1 3.81Å; F615-F619 HydrophobicContact CD1-CE2 4.36Å; F615-F619 AromaticContact CD1-CZ 3.63Å; F615-F619 HydrophobicContact CD1-CZ 3.63Å; F615-F619 HydrophobicContact CG-CZ 4.27Å; F615-F619 WeakPolarHBondContact O-CB 3.37Å; F615-F619 WeakPolarHBondContact O-CD2 3.14Å; F615-F619 WeakPolarHBondContact O-CG 3.25Å; F615-F619 PolarHBondContact O-N 2.83Å; E617-F619 VanDerWaalsContact C-N 3.26Å; E617-F619 PolarHBondContact O-N 3.21Å; F619-Q621 VanDerWaalsContact C-N 3.34Å; F619-Q621 PolarHBondContact O-N 2.91Å; F619-G622 PolarHBondContact O-N 3.11Å; F619-D623 WeakPolarHBondContact O-CB 3.44Å; F619-D623 PolarHBondContact O-N 3.31Å; F619-R638 HydrophobicContact CB-CB 4.04Å; F619-R638 HydrophobicContact CD1-CB 3.87Å; F619-R638 HydrophobicContact CD2-CB 4.06Å; F619-R638 HydrophobicContact CE1-CB 4.35Å; F619-R638 HydrophobicContact CG-CB 3.71Å; F619-A641 HydrophobicContact CE1-CB 3.5Å; F619-A641 VanDerWaalsContact CE1-CB 3.5Å; F619-A641 HydrophobicContact CZ-CB 3.83Å; F619-V643 HydrophobicContact CZ-CG2 3.98Å |
| 620 | A | 97 | Very high | 95.8 | Very high | 46 Ų | 46 | 49.5 Ų | 49.5 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E616 E617 D623 L624 | E616-A620 WeakPolarHBondContact O-CB 3.27Å; E616-A620 PolarHBondContact O-N 2.88Å; E617-A620 PolarHBondContact O-N 2.82Å; E617-A620 VanDerWaalsContact O-N 3.16Å; A620-D623 PolarHBondContact O-N 3.31Å; A620-L624 WeakPolarHBondContact O-CG 3.23Å; A620-L624 PolarHBondContact O-N 3.44Å; A620-L624 VanDerWaalsContact O-N 3.11Å |
| 621 | Q | 96.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 172.7 | 179.3 | 179.9 | -41.2 | 0 | 0 | 111.2 | T491 N492 F495 E617 F618 F619 D623 L624 E625 M636 | T491-Q621 HydrophobicContact CG2-CB 4.32Å; T491-Q621 HydrophobicContact CG2-CG 4.15Å; N492-Q621 PolarHBondContact OD1-NE2 3.49Å; N492-Q621 VanDerWaalsContact OD1-NE2 3.13Å; F495-Q621 HydrophobicContact CD2-CG 4.05Å; F495-Q621 HydrophobicContact CG-CG 4.42Å; E617-Q621 PolarHBondContact O-N 3.44Å; F618-Q621 PolarHBondContact O-N 3.35Å; F619-Q621 VanDerWaalsContact C-N 3.34Å; F619-Q621 PolarHBondContact O-N 2.91Å; Q621-D623 VanDerWaalsContact C-N 3.28Å; Q621-D623 PolarHBondContact O-N 2.92Å; Q621-L624 WeakPolarHBondContact O-CB 3.44Å; Q621-L624 PolarHBondContact O-N 2.98Å; Q621-L624 VanDerWaalsContact O-N 3.13Å; Q621-E625 HydrophobicContact CG-CG 4.43Å; Q621-E625 PolarHBondContact NE2-OE1 2.82Å; Q621-E625 WeakPolarHBondContact O-CG 3.4Å; Q621-E625 PolarHBondContact O-N 3.39Å; Q621-M636 HydrophobicContact CG-SD 4.47Å; Q621-M636 PolarHBondContact NE2-SD 3.47Å |
| 622 | G | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.5 | -36.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F618 F619 E625 K626 | F618-G622 PolarHBondContact O-N 3.02Å; F619-G622 PolarHBondContact O-N 3.11Å; G622-E625 PolarHBondContact O-N 2.87Å; G622-K626 WeakPolarHBondContact O-CG 3.42Å; G622-K626 PolarHBondContact O-N 2.91Å |
| 623 | D | 97.1 | Very high | 95.1 | Very high | 54 Ų | 54 | 59.5 Ų | 59.5 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 174.1 | -64.5 | -22.7 | 0 | 0 | 0 | 112 | F619 A620 Q621 E625 K626 A627 R638 | F619-D623 WeakPolarHBondContact O-CB 3.44Å; F619-D623 PolarHBondContact O-N 3.31Å; A620-D623 PolarHBondContact O-N 3.31Å; Q621-D623 VanDerWaalsContact C-N 3.28Å; Q621-D623 PolarHBondContact O-N 2.92Å; D623-E625 VanDerWaalsContact C-N 3.34Å; D623-K626 PolarHBondContact O-N 2.9Å; D623-A627 WeakPolarHBondContact O-CB 3.29Å; D623-A627 PolarHBondContact O-N 2.94Å; D623-R638 IonicContact OD1-NE 2.68Å; D623-R638 PolarHBondContact OD1-NE 3.44Å; D623-R638 VanDerWaalsContact OD1-NE 3.12Å; D623-R638 IonicContact OD2-CZ 3.06Å; D623-R638 IonicContact OD2-NE 3.88Å; D623-R638 PolarHBondContact OD2-NE 3.31Å; D623-R638 IonicContact OD2-NH2 2.83Å; D623-R638 PolarHBondContact OD2-NH2 2.99Å |
| 624 | L | 95 | Very high | 94.9 | Very high | 92 Ų | 92 | 62.2 Ų | 62.2 | 48% | 0.482 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 172.7 | -72.5 | 169 | 0 | 0 | 0 | 111.2 | A620 Q621 A627 M628 | A620-L624 WeakPolarHBondContact O-CG 3.23Å; A620-L624 PolarHBondContact O-N 3.44Å; A620-L624 VanDerWaalsContact O-N 3.11Å; Q621-L624 WeakPolarHBondContact O-CB 3.44Å; Q621-L624 PolarHBondContact O-N 2.98Å; Q621-L624 VanDerWaalsContact O-N 3.13Å; L624-A627 PolarHBondContact O-N 3.45Å; L624-M628 VanDerWaalsContact O-CG 3.28Å; L624-M628 WeakPolarHBondContact O-CG 3.35Å; L624-M628 PolarHBondContact O-N 3.47Å |
| 625 | E | 95 | Very high | 94.7 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.1 | -46 | 175.6 | -72.2 | 174.6 | -180 | 0 | 0 | 111.4 | F495 Q621 G622 D623 A627 M628 N629 R630 P632 | F495-E625 HydrophobicContact CD2-CG 3.75Å; F495-E625 HydrophobicContact CE2-CG 3.94Å; Q621-E625 HydrophobicContact CG-CG 4.43Å; Q621-E625 PolarHBondContact NE2-OE1 2.82Å; Q621-E625 WeakPolarHBondContact O-CG 3.4Å; Q621-E625 PolarHBondContact O-N 3.39Å; G622-E625 PolarHBondContact O-N 2.87Å; D623-E625 VanDerWaalsContact C-N 3.34Å; E625-A627 PolarHBondContact O-N 3.08Å; E625-M628 CarbonylContact O-C 3.48Å; E625-M628 PolarHBondContact O-N 3.04Å; E625-M628 VanDerWaalsContact O-N 3.12Å; E625-N629 PolarHBondContact O-N 2.98Å; E625-R630 CarbonylContact C-O 3.51Å; E625-R630 HydrophobicContact CB-CB 4.27Å; E625-R630 WeakPolarHBondContact O-CA 3.37Å; E625-R630 WeakPolarHBondContact O-CB 3.33Å; E625-R630 PolarHBondContact O-N 3.32Å; E625-P632 HydrophobicContact CB-CB 4.36Å; E625-P632 WeakPolarHBondContact OE2-CA 3.49Å; E625-P632 VanDerWaalsContact OE2-CB 3.23Å; E625-P632 WeakPolarHBondContact OE2-CB 3.41Å |
| 626 | K | 94.8 | Very high | 94.6 | Very high | 64 Ų | 64 | 64.6 Ų | 64.6 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 173.6 | -74 | 175.2 | -178.2 | 175.7 | 0 | 111.6 | G622 D623 M628 N629 R630 P632 D637 D639 | G622-K626 WeakPolarHBondContact O-CG 3.42Å; G622-K626 PolarHBondContact O-N 2.91Å; D623-K626 PolarHBondContact O-N 2.9Å; K626-M628 PolarHBondContact O-N 2.81Å; K626-N629 WeakPolarHBondContact O-CA 3.37Å; K626-N629 PolarHBondContact O-N 3.36Å; K626-R630 WeakPolarHBondContact CA-O 3.39Å; K626-P632 HydrophobicContact CD-CG 4.44Å; K626-P632 HydrophobicContact CG-CG 3.92Å; K626-D637 VanDerWaalsContact CE-OD1 3.32Å; K626-D637 WeakPolarHBondContact CE-OD1 3.47Å; K626-D637 IonicContact NZ-OD1 2.65Å; K626-D637 PolarHBondContact NZ-OD1 3.42Å; K626-D637 IonicContact NZ-OD2 3.89Å; K626-D639 IonicContact NZ-OD2 3.93Å; K626-D639 PolarHBondContact NZ-OD2 3.48Å |
| 627 | A | 93.9 | Very high | 94.5 | Very high | 81 Ų | 81 | 59.4 Ų | 59.4 | 67% | 0.669 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.3 | -27.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D623 L624 E625 N629 | D623-A627 WeakPolarHBondContact O-CB 3.29Å; D623-A627 PolarHBondContact O-N 2.94Å; L624-A627 PolarHBondContact O-N 3.45Å; E625-A627 PolarHBondContact O-N 3.08Å; A627-N629 PolarHBondContact O-N 3.41Å |
| 628 | M | 90.1 | Very high | 94.3 | Very high | 85 Ų | 85 | 65.3 Ų | 65.3 | 42% | 0.419 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 14.3 | 172.7 | -65.4 | 175.6 | 70 | 0 | 0 | 113.3 | F495 L624 E625 K626 R630 | F495-M628 HydrophobicContact CE2-SD 4.09Å; F495-M628 HydrophobicContact CZ-SD 4.03Å; L624-M628 VanDerWaalsContact O-CG 3.28Å; L624-M628 WeakPolarHBondContact O-CG 3.35Å; L624-M628 PolarHBondContact O-N 3.47Å; E625-M628 CarbonylContact O-C 3.48Å; E625-M628 PolarHBondContact O-N 3.04Å; E625-M628 VanDerWaalsContact O-N 3.12Å; K626-M628 PolarHBondContact O-N 2.81Å; M628-R630 PolarHBondContact O-N 2.87Å |
| 629 | N | 92 | Very high | 94.1 | Very high | 160 Ų | 160 | 69.2 Ų | 69.2 | 86% | 0.856 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 34.1 | -174.4 | -63.6 | -53 | 0 | 0 | 0 | 113.6 | E625 K626 A627 | E625-N629 PolarHBondContact O-N 2.98Å; K626-N629 WeakPolarHBondContact O-CA 3.37Å; K626-N629 PolarHBondContact O-N 3.36Å; A627-N629 PolarHBondContact O-N 3.41Å |
| 630 | R | 89.1 | Confident | 93.9 | Very high | 81 Ų | 81 | 73.1 Ų | 73.1 | 31% | 0.306 | 37% | 0.371 | S | S | . | . | trans | -108.8 | 155.3 | 172.8 | -62.4 | -178.1 | -179.6 | 165.9 | 0.2 | 110.6 | Q498 S499 E625 K626 M628 P632 | Q498-R630 VanDerWaalsContact O-CZ 3.25Å; Q498-R630 PolarHBondContact O-NH1 3.49Å; Q498-R630 PolarHBondContact O-NH2 3.08Å; S499-R630 VanDerWaalsContact N-NH1 3.15Å; S499-R630 PolarHBondContact OG-NH1 2.96Å; E625-R630 CarbonylContact C-O 3.51Å; E625-R630 HydrophobicContact CB-CB 4.27Å; E625-R630 WeakPolarHBondContact O-CA 3.37Å; E625-R630 WeakPolarHBondContact O-CB 3.33Å; E625-R630 PolarHBondContact O-N 3.32Å; K626-R630 WeakPolarHBondContact CA-O 3.39Å; M628-R630 PolarHBondContact O-N 2.87Å; R630-P632 WeakPolarHBondContact O-CD 3.49Å | ||
| 631 | K | 90.7 | Very high | 93.7 | Very high | 183 Ų | 183 | 72 Ų | 72 | 80% | 0.796 | 36% | 0.361 | S | S | * | . | trans | -95.4 | 112.1 | 177.1 | -172.4 | 176.3 | 178.3 | -175.9 | 0 | 108.9 | ||||
| 632 | P | 93 | Very high | 93.5 | Very high | 10 Ų | 10 | 75.1 Ų | 75.1 | 7% | 0.065 | 38% | 0.378 | C | S | . | . | trans | -66.1 | 160.2 | 174.7 | 28.9 | -35.8 | 0 | 0 | 0 | 111.4 | E625 K626 R630 M636 D637 | E625-P632 HydrophobicContact CB-CB 4.36Å; E625-P632 WeakPolarHBondContact OE2-CA 3.49Å; E625-P632 VanDerWaalsContact OE2-CB 3.23Å; E625-P632 WeakPolarHBondContact OE2-CB 3.41Å; K626-P632 HydrophobicContact CD-CG 4.44Å; K626-P632 HydrophobicContact CG-CG 3.92Å; R630-P632 WeakPolarHBondContact O-CD 3.49Å; P632-M636 HydrophobicContact CB-CB 4.17Å; P632-D637 HydrophobicContact CG-CB 4.1Å | ||
| 633 | T | 93.2 | Very high | 93.4 | Very high | 84 Ų | 84 | 77.6 Ų | 77.6 | 52% | 0.515 | 39% | 0.393 | S | S | . | . | trans | -63.3 | 154.7 | 168 | 65.3 | 0 | 0 | 0 | 0 | 110.3 | M635 M636 D637 | T633-M635 PolarHBondContact O-N 3.45Å; T633-M636 PolarHBondContact O-N 3.03Å; T633-M636 WeakPolarHBondContact OG1-CG 3.4Å; T633-D637 PolarHBondContact O-N 3.02Å | ||
| 634 | E | 93.6 | Very high | 93.3 | Very high | 129 Ų | 129 | 76.4 Ų | 76.4 | 60% | 0.603 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -56.8 | -36.2 | -177.8 | -169.8 | 177.2 | 161.4 | 0 | 0 | 112.6 | M636 D637 K640 A641 | E634-M636 VanDerWaalsContact C-N 3.27Å; E634-M636 PolarHBondContact O-N 3.27Å; E634-D637 PolarHBondContact O-N 3.17Å; E634-K640 HydrophobicContact CG-CB 4.07Å; E634-A641 WeakPolarHBondContact O-CA 3.46Å; E634-A641 WeakPolarHBondContact O-CB 3.44Å; E634-A641 PolarHBondContact O-N 3.46Å |
| 635 | M | 93.2 | Very high | 93.3 | Very high | 69 Ų | 69 | 76.6 Ų | 76.6 | 34% | 0.34 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -65.4 | -27.6 | 176.9 | -172.9 | -179 | 71.2 | 0 | 0 | 113.4 | F615 F618 T633 | F615-M635 HydrophobicContact CE1-CG 3.96Å; F615-M635 HydrophobicContact CZ-CG 4.42Å; F618-M635 HydrophobicContact CD2-CE 3.76Å; F618-M635 HydrophobicContact CD2-CG 4.23Å; F618-M635 HydrophobicContact CD2-SD 4.28Å; F618-M635 HydrophobicContact CE2-CE 3.38Å; F618-M635 HydrophobicContact CE2-CG 4.48Å; F618-M635 HydrophobicContact CE2-SD 3.94Å; F618-M635 HydrophobicContact CZ-CE 3.94Å; T633-M635 PolarHBondContact O-N 3.45Å |
| 636 | M | 94.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 77.1 Ų | 77.1 | 3% | 0.03 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -96.7 | -9.2 | -179.7 | -66.1 | -179.8 | 164.2 | 0 | 0 | 112.5 | N492 F618 Q621 P632 T633 E634 R638 | N492-M636 WeakPolarHBondContact ND2-CE 3.32Å; F618-M636 HydrophobicContact CB-CG 4.03Å; F618-M636 HydrophobicContact CD1-CE 3.95Å; F618-M636 HydrophobicContact CE1-CE 4.25Å; F618-M636 HydrophobicContact CG-CE 4.35Å; F618-M636 HydrophobicContact CG-CG 4.35Å; Q621-M636 HydrophobicContact CG-SD 4.47Å; Q621-M636 PolarHBondContact NE2-SD 3.47Å; P632-M636 HydrophobicContact CB-CB 4.17Å; T633-M636 PolarHBondContact O-N 3.03Å; T633-M636 WeakPolarHBondContact OG1-CG 3.4Å; E634-M636 VanDerWaalsContact C-N 3.27Å; E634-M636 PolarHBondContact O-N 3.27Å; M636-R638 PolarHBondContact O-N 3.12Å |
| 637 | D | 95.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 74.4 Ų | 74.4 | 3% | 0.027 | 38% | 0.377 | C | S | . | . | trans | -86.4 | 103.9 | 177.6 | -170.2 | -18.9 | 0 | 0 | 0 | 110 | K626 P632 T633 E634 D639 K640 A641 | K626-D637 VanDerWaalsContact CE-OD1 3.32Å; K626-D637 WeakPolarHBondContact CE-OD1 3.47Å; K626-D637 IonicContact NZ-OD1 2.65Å; K626-D637 PolarHBondContact NZ-OD1 3.42Å; K626-D637 IonicContact NZ-OD2 3.89Å; P632-D637 HydrophobicContact CG-CB 4.1Å; T633-D637 PolarHBondContact O-N 3.02Å; E634-D637 PolarHBondContact O-N 3.17Å; D637-D639 PolarHBondContact O-N 3.49Å; D637-D639 PolarHBondContact OD1-N 3Å; D637-K640 HydrophobicContact CB-CB 4.2Å; D637-K640 HydrophobicContact CB-CG 4.5Å; D637-K640 PolarHBondContact O-N 2.93Å; D637-K640 WeakPolarHBondContact OD2-CD 3.41Å; D637-K640 WeakPolarHBondContact OD2-CE 3.31Å; D637-K640 IonicContact OD2-NZ 3.93Å; D637-K640 PolarHBondContact OD2-NZ 3.12Å; D637-A641 WeakPolarHBondContact O-CB 3.37Å; D637-A641 PolarHBondContact O-N 3.37Å | ||
| 638 | R | 94.7 | Very high | 93.6 | Very high | 130 Ų | 130 | 71.2 Ų | 71.2 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -22.9 | -178.4 | 65.8 | 170 | 64.5 | -134.6 | -4.9 | 114.9 | F619 D623 M636 | F619-R638 HydrophobicContact CB-CB 4.04Å; F619-R638 HydrophobicContact CD1-CB 3.87Å; F619-R638 HydrophobicContact CD2-CB 4.06Å; F619-R638 HydrophobicContact CE1-CB 4.35Å; F619-R638 HydrophobicContact CG-CB 3.71Å; D623-R638 IonicContact OD1-NE 2.68Å; D623-R638 PolarHBondContact OD1-NE 3.44Å; D623-R638 VanDerWaalsContact OD1-NE 3.12Å; D623-R638 IonicContact OD2-CZ 3.06Å; D623-R638 IonicContact OD2-NE 3.88Å; D623-R638 PolarHBondContact OD2-NE 3.31Å; D623-R638 IonicContact OD2-NH2 2.83Å; D623-R638 PolarHBondContact OD2-NH2 2.99Å; M636-R638 PolarHBondContact O-N 3.12Å |
| 639 | D | 92.7 | Very high | 94 | Very high | 127 Ų | 127 | 71.7 Ų | 71.7 | 68% | 0.679 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -12.2 | -178.6 | -52.7 | -53.9 | 0 | 0 | 0 | 112.6 | K626 D637 | K626-D639 IonicContact NZ-OD2 3.93Å; K626-D639 PolarHBondContact NZ-OD2 3.48Å; D637-D639 PolarHBondContact O-N 3.49Å; D637-D639 PolarHBondContact OD1-N 3Å |
| 640 | K | 93.1 | Very high | 94.2 | Very high | 116 Ų | 116 | 66.6 Ų | 66.6 | 50% | 0.504 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | -19.4 | -174.1 | -59.6 | -177.2 | -169.1 | 127.2 | 0 | 114.2 | E634 D637 D642 | E634-K640 HydrophobicContact CG-CB 4.07Å; D637-K640 HydrophobicContact CB-CB 4.2Å; D637-K640 HydrophobicContact CB-CG 4.5Å; D637-K640 PolarHBondContact O-N 2.93Å; D637-K640 WeakPolarHBondContact OD2-CD 3.41Å; D637-K640 WeakPolarHBondContact OD2-CE 3.31Å; D637-K640 IonicContact OD2-NZ 3.93Å; D637-K640 PolarHBondContact OD2-NZ 3.12Å; K640-D642 PolarHBondContact O-N 3.4Å |
| 641 | A | 92.4 | Very high | 94.7 | Very high | 21 Ų | 21 | 62.8 Ų | 62.8 | 17% | 0.174 | 31% | 0.305 | C | S | . | . | trans | -63.9 | 122.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112 | F619 E634 D637 V643 | F619-A641 HydrophobicContact CE1-CB 3.5Å; F619-A641 VanDerWaalsContact CE1-CB 3.5Å; F619-A641 HydrophobicContact CZ-CB 3.83Å; E634-A641 WeakPolarHBondContact O-CA 3.46Å; E634-A641 WeakPolarHBondContact O-CB 3.44Å; E634-A641 PolarHBondContact O-N 3.46Å; D637-A641 WeakPolarHBondContact O-CB 3.37Å; D637-A641 PolarHBondContact O-N 3.37Å; A641-V643 PolarHBondContact O-N 3.28Å | ||
| 642 | D | 94.2 | Very high | 95 | Very high | 70 Ų | 70 | 57.1 Ų | 57.1 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | trans | -87.7 | 88.9 | 164.2 | -175.7 | -17.8 | 0 | 0 | 0 | 109.2 | K640 I644 K645 S646 | K640-D642 PolarHBondContact O-N 3.4Å; D642-I644 PolarHBondContact O-N 2.9Å; D642-I644 PolarHBondContact OD1-N 3.2Å; D642-K645 HydrophobicContact CB-CB 3.91Å; D642-K645 HydrophobicContact CB-CD 4.48Å; D642-K645 PolarHBondContact O-N 2.93Å; D642-K645 WeakPolarHBondContact OD1-CB 3.41Å; D642-K645 PolarHBondContact OD1-N 2.84Å; D642-K645 VanDerWaalsContact OD2-CB 3.23Å; D642-K645 WeakPolarHBondContact OD2-CB 3.18Å; D642-S646 WeakPolarHBondContact O-CB 3.38Å; D642-S646 PolarHBondContact O-N 3.06Å; D642-S646 PolarHBondContact O-OG 2.93Å | ||
| 643 | V | 94.3 | Very high | 95.2 | Very high | 53 Ų | 53 | 61.4 Ų | 61.4 | 32% | 0.321 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -53.7 | -42 | -178.3 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | F615 F619 A641 Q647 | F615-V643 HydrophobicContact CD1-CG2 3.87Å; F615-V643 HydrophobicContact CD2-CG1 3.7Å; F615-V643 HydrophobicContact CD2-CG2 4.35Å; F615-V643 HydrophobicContact CE1-CB 4.46Å; F615-V643 HydrophobicContact CE1-CG2 4.01Å; F615-V643 HydrophobicContact CE2-CB 4.31Å; F615-V643 HydrophobicContact CE2-CG1 3.65Å; F615-V643 HydrophobicContact CE2-CG2 4.48Å; F615-V643 HydrophobicContact CG-CG1 4.21Å; F615-V643 HydrophobicContact CG-CG2 4.04Å; F615-V643 HydrophobicContact CZ-CB 4.3Å; F615-V643 HydrophobicContact CZ-CG1 4.13Å; F615-V643 HydrophobicContact CZ-CG2 4.33Å; F619-V643 HydrophobicContact CZ-CG2 3.98Å; A641-V643 PolarHBondContact O-N 3.28Å; V643-Q647 WeakPolarHBondContact O-CB 3.49Å; V643-Q647 VanDerWaalsContact O-CG 3.3Å; V643-Q647 WeakPolarHBondContact O-CG 3.5Å; V643-Q647 PolarHBondContact O-N 2.95Å |
| 644 | I | 94.9 | Very high | 95.4 | Very high | 28 Ų | 28 | 58.2 Ų | 58.2 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.6 | -47.1 | -175.5 | -59.9 | 171.6 | 0 | 0 | 0 | 110 | D642 S646 Q647 L648 Y683 M686 Q687 | D642-I644 PolarHBondContact O-N 2.9Å; D642-I644 PolarHBondContact OD1-N 3.2Å; I644-S646 VanDerWaalsContact C-N 3.34Å; I644-S646 PolarHBondContact O-N 2.85Å; I644-Q647 PolarHBondContact O-N 2.85Å; I644-L648 HydrophobicContact CG2-CD1 4.31Å; I644-L648 WeakPolarHBondContact O-CG 3.32Å; I644-L648 PolarHBondContact O-N 2.86Å; I644-Y683 WeakPolarHBondContact CG2-O 3.44Å; I644-M686 HydrophobicContact CD1-CB 4.08Å; I644-M686 HydrophobicContact CD1-CE 4.32Å; I644-M686 HydrophobicContact CG1-CE 4.45Å; I644-M686 HydrophobicContact CG2-CB 4.46Å; I644-Q687 HydrophobicContact CG2-CB 3.68Å; I644-Q687 HydrophobicContact CG2-CG 4.27Å |
| 645 | K | 95 | Very high | 95.6 | Very high | 97 Ų | 97 | 52.1 Ų | 52.1 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 176.7 | -179.8 | -176.1 | 176 | -172.3 | 0 | 111.6 | D642 Q647 L648 Q649 | D642-K645 HydrophobicContact CB-CB 3.91Å; D642-K645 HydrophobicContact CB-CD 4.48Å; D642-K645 PolarHBondContact O-N 2.93Å; D642-K645 WeakPolarHBondContact OD1-CB 3.41Å; D642-K645 PolarHBondContact OD1-N 2.84Å; D642-K645 VanDerWaalsContact OD2-CB 3.23Å; D642-K645 WeakPolarHBondContact OD2-CB 3.18Å; K645-Q647 VanDerWaalsContact C-N 3.33Å; K645-Q647 PolarHBondContact O-N 3.27Å; K645-L648 PolarHBondContact O-N 3.29Å; K645-Q649 WeakPolarHBondContact O-CG 3.24Å; K645-Q649 PolarHBondContact O-N 3.49Å |
| 646 | S | 95.9 | Very high | 95.9 | Very high | 20 Ų | 20 | 49.7 Ų | 49.7 | 14% | 0.14 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -39.2 | 176.3 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | D642 I644 Q649 F650 | D642-S646 WeakPolarHBondContact O-CB 3.38Å; D642-S646 PolarHBondContact O-N 3.06Å; D642-S646 PolarHBondContact O-OG 2.93Å; I644-S646 VanDerWaalsContact C-N 3.34Å; I644-S646 PolarHBondContact O-N 2.85Å; S646-Q649 PolarHBondContact O-N 3.11Å; S646-F650 WeakPolarHBondContact O-CB 3.36Å; S646-F650 PolarHBondContact O-N 3.05Å |
| 647 | Q | 97.2 | Very high | 96 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 173.6 | -74.8 | -63.9 | -63.9 | 0 | 0 | 112.3 | A611 F615 V643 I644 K645 Q649 F650 F651 Y683 | A611-Q647 HydrophobicContact CB-CG 4.21Å; F615-Q647 HydrophobicContact CE2-CG 3.98Å; V643-Q647 WeakPolarHBondContact O-CB 3.49Å; V643-Q647 VanDerWaalsContact O-CG 3.3Å; V643-Q647 WeakPolarHBondContact O-CG 3.5Å; V643-Q647 PolarHBondContact O-N 2.95Å; I644-Q647 PolarHBondContact O-N 2.85Å; K645-Q647 VanDerWaalsContact C-N 3.33Å; K645-Q647 PolarHBondContact O-N 3.27Å; Q647-Q649 VanDerWaalsContact C-N 3.32Å; Q647-Q649 PolarHBondContact O-N 3.46Å; Q647-F650 WeakPolarHBondContact O-CB 3.34Å; Q647-F650 PolarHBondContact O-N 2.73Å; Q647-F650 VanDerWaalsContact O-N 3.16Å; Q647-F651 WeakPolarHBondContact O-CD2 3.38Å; Q647-F651 PolarHBondContact O-N 3.09Å; Q647-Y683 HydrophobicContact CB-CD1 3.91Å; Q647-Y683 HydrophobicContact CB-CD2 4.21Å; Q647-Y683 HydrophobicContact CB-CE1 3.82Å; Q647-Y683 HydrophobicContact CB-CE2 4.11Å; Q647-Y683 HydrophobicContact CB-CG 4.11Å; Q647-Y683 HydrophobicContact CG-CD1 4.4Å; Q647-Y683 HydrophobicContact CG-CE1 3.83Å; Q647-Y683 HydrophobicContact CG-CE2 4.41Å; Q647-Y683 PolarHBondContact OE1-OH 3.33Å |
| 648 | L | 97.9 | Very high | 96.1 | Very high | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 175.3 | -74.1 | 168.4 | 0 | 0 | 0 | 111.8 | I644 K645 F650 F651 D652 R680 E684 Q687 | I644-L648 HydrophobicContact CG2-CD1 4.31Å; I644-L648 WeakPolarHBondContact O-CG 3.32Å; I644-L648 PolarHBondContact O-N 2.86Å; K645-L648 PolarHBondContact O-N 3.29Å; L648-F650 VanDerWaalsContact C-N 3.34Å; L648-F650 PolarHBondContact O-N 3.29Å; L648-F651 PolarHBondContact O-N 2.95Å; L648-D652 WeakPolarHBondContact O-CB 3.41Å; L648-D652 PolarHBondContact O-N 3.22Å; L648-R680 HydrophobicContact CD2-CG 4.16Å; L648-E684 HydrophobicContact CD2-CB 4.2Å; L648-Q687 HydrophobicContact CD1-CB 4.19Å; L648-Q687 HydrophobicContact CD1-CG 4.44Å |
| 649 | Q | 97.4 | Very high | 96.3 | Very high | 95 Ų | 95 | 44.8 Ų | 44.8 | 44% | 0.444 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 176 | -71.2 | 177.5 | -17.4 | 0 | 0 | 112.5 | K645 S646 Q647 F651 D652 N653 | K645-Q649 WeakPolarHBondContact O-CG 3.24Å; K645-Q649 PolarHBondContact O-N 3.49Å; S646-Q649 PolarHBondContact O-N 3.11Å; Q647-Q649 VanDerWaalsContact C-N 3.32Å; Q647-Q649 PolarHBondContact O-N 3.46Å; Q649-F651 VanDerWaalsContact C-N 3.34Å; Q649-D652 PolarHBondContact O-N 2.82Å; Q649-N653 VanDerWaalsContact O-CB 3.26Å; Q649-N653 WeakPolarHBondContact O-CB 3.28Å; Q649-N653 VanDerWaalsContact O-CG 3.29Å; Q649-N653 PolarHBondContact O-N 3.43Å; Q649-N653 PolarHBondContact O-ND2 2.84Å |
| 650 | F | 97.2 | Very high | 96.5 | Very high | 53 Ų | 53 | 43 Ų | 43 | 23% | 0.232 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 176.3 | -176.5 | -131.1 | 0 | 0 | 0 | 111.8 | V597 Q600 S646 Q647 L648 I654 I655 | V597-F650 HydrophobicContact CG1-CZ 4.3Å; Q600-F650 HydrophobicContact CG-CE1 3.9Å; S646-F650 WeakPolarHBondContact O-CB 3.36Å; S646-F650 PolarHBondContact O-N 3.05Å; Q647-F650 WeakPolarHBondContact O-CB 3.34Å; Q647-F650 PolarHBondContact O-N 2.73Å; Q647-F650 VanDerWaalsContact O-N 3.16Å; L648-F650 VanDerWaalsContact C-N 3.34Å; L648-F650 PolarHBondContact O-N 3.29Å; F650-I654 HydrophobicContact CD2-CB 3.94Å; F650-I654 HydrophobicContact CD2-CD1 3.79Å; F650-I654 HydrophobicContact CD2-CG1 4.17Å; F650-I654 HydrophobicContact CE2-CB 3.84Å; F650-I654 HydrophobicContact CE2-CD1 3.68Å; F650-I654 HydrophobicContact CE2-CG1 4.24Å; F650-I654 HydrophobicContact CE2-CG2 3.9Å; F650-I654 WeakPolarHBondContact O-CB 3.48Å; F650-I654 PolarHBondContact O-N 3.49Å; F650-I655 HydrophobicContact CD1-CD1 4.17Å; F650-I655 HydrophobicContact CD1-CG1 3.93Å; F650-I655 HydrophobicContact CE1-CD1 3.56Å; F650-I655 HydrophobicContact CE1-CG1 3.85Å; F650-I655 HydrophobicContact CE2-CD1 4.24Å; F650-I655 HydrophobicContact CG-CG1 4.39Å; F650-I655 HydrophobicContact CZ-CD1 3.59Å; F650-I655 HydrophobicContact CZ-CG1 4.21Å; F650-I655 PolarHBondContact O-N 3.33Å; F650-I655 VanDerWaalsContact O-N 3.12Å |
| 651 | F | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -64.3 | -44.7 | 175 | -90.4 | -98.9 | 0 | 0 | 0 | 112.4 | Q600 Q647 L648 Q649 I655 L656 G676 N679 R680 Y683 | Q600-F651 HydrophobicContact CB-CE2 4.42Å; Q600-F651 HydrophobicContact CB-CZ 3.96Å; Q600-F651 WeakPolarHBondContact O-CZ 3.48Å; Q647-F651 WeakPolarHBondContact O-CD2 3.38Å; Q647-F651 PolarHBondContact O-N 3.09Å; L648-F651 PolarHBondContact O-N 2.95Å; Q649-F651 VanDerWaalsContact C-N 3.34Å; F651-I655 HydrophobicContact CD1-CB 4.03Å; F651-I655 HydrophobicContact CD1-CG1 4.46Å; F651-I655 HydrophobicContact CD1-CG2 3.99Å; F651-I655 HydrophobicContact CD2-CG1 4.44Å; F651-I655 HydrophobicContact CE1-CB 4.42Å; F651-I655 HydrophobicContact CE1-CG2 3.97Å; F651-I655 HydrophobicContact CG-CB 4.27Å; F651-I655 HydrophobicContact CG-CG1 4.36Å; F651-I655 PolarHBondContact O-N 2.92Å; F651-L656 HydrophobicContact CD1-CD2 4.47Å; F651-L656 HydrophobicContact CD1-CG 4.48Å; F651-L656 WeakPolarHBondContact O-CB 3.44Å; F651-L656 WeakPolarHBondContact O-CG 3.3Å; F651-L656 PolarHBondContact O-N 3.39Å; F651-G676 WeakPolarHBondContact CE1-O 3.5Å; F651-N679 HydrophobicContact CE1-CB 3.9Å; F651-N679 HydrophobicContact CZ-CB 3.89Å; F651-R680 HydrophobicContact CB-CB 4.19Å; F651-R680 HydrophobicContact CB-CG 4.02Å; F651-R680 HydrophobicContact CD1-CB 3.77Å; F651-R680 HydrophobicContact CE1-CB 4.43Å; F651-R680 HydrophobicContact CG-CB 4.1Å; F651-R680 HydrophobicContact CG-CG 4.43Å; F651-Y683 HydrophobicContact CD2-CD2 4.25Å; F651-Y683 HydrophobicContact CD2-CE2 4.3Å; F651-Y683 AromaticContact CE2-CD2 3.91Å; F651-Y683 HydrophobicContact CE2-CD2 3.91Å; F651-Y683 AromaticContact CE2-CE2 3.59Å; F651-Y683 HydrophobicContact CE2-CE2 3.59Å; F651-Y683 HydrophobicContact CZ-CD2 4.49Å; F651-Y683 HydrophobicContact CZ-CE2 4.19Å |
| 652 | D | 98.2 | Very high | 96.8 | Very high | 65 Ų | 65 | 37.1 Ų | 37.1 | 35% | 0.348 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -69.9 | -37.8 | -177.1 | -74.6 | -26.4 | 0 | 0 | 0 | 113 | L648 Q649 P657 R680 | L648-D652 WeakPolarHBondContact O-CB 3.41Å; L648-D652 PolarHBondContact O-N 3.22Å; Q649-D652 PolarHBondContact O-N 2.82Å; D652-P657 WeakPolarHBondContact O-CD 3.41Å; D652-P657 VanDerWaalsContact O-CG 3.26Å; D652-P657 WeakPolarHBondContact O-CG 3.19Å; D652-R680 IonicContact OD1-CZ 2.8Å; D652-R680 IonicContact OD1-NE 2.98Å; D652-R680 PolarHBondContact OD1-NE 3.44Å; D652-R680 IonicContact OD1-NH2 3.8Å; D652-R680 PolarHBondContact OD1-NH2 2.94Å; D652-R680 IonicContact OD2-CZ 3.22Å; D652-R680 IonicContact OD2-NE 3.48Å; D652-R680 IonicContact OD2-NH2 2.95Å; D652-R680 PolarHBondContact OD2-NH2 3.38Å |
| 653 | N | 97.1 | Very high | 96.9 | Very high | 100 Ų | 100 | 34.1 Ų | 34.1 | 54% | 0.535 | 17% | 0.173 | S | C | . | . | I | π-helix | trans | -95 | -23.6 | -172.8 | -62.6 | -29.4 | 0 | 0 | 0 | 114 | Q649 | Q649-N653 VanDerWaalsContact O-CB 3.26Å; Q649-N653 WeakPolarHBondContact O-CB 3.28Å; Q649-N653 VanDerWaalsContact O-CG 3.29Å; Q649-N653 PolarHBondContact O-N 3.43Å; Q649-N653 PolarHBondContact O-ND2 2.84Å |
| 654 | I | 97.1 | Very high | 96.9 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 9% | 0.087 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -127.6 | -63.2 | -173.4 | -58.4 | -176 | 0 | 0 | 0 | 111.3 | L558 F562 F650 P657 V658 | L558-I654 HydrophobicContact CD1-CD1 3.9Å; L558-I654 HydrophobicContact CD2-CD1 4.39Å; L558-I654 HydrophobicContact CD2-CG2 4Å; F562-I654 HydrophobicContact CE2-CD1 4.19Å; F562-I654 HydrophobicContact CZ-CD1 3.87Å; F562-I654 HydrophobicContact CZ-CG1 3.79Å; F650-I654 HydrophobicContact CD2-CB 3.94Å; F650-I654 HydrophobicContact CD2-CD1 3.79Å; F650-I654 HydrophobicContact CD2-CG1 4.17Å; F650-I654 HydrophobicContact CE2-CB 3.84Å; F650-I654 HydrophobicContact CE2-CD1 3.68Å; F650-I654 HydrophobicContact CE2-CG1 4.24Å; F650-I654 HydrophobicContact CE2-CG2 3.9Å; F650-I654 WeakPolarHBondContact O-CB 3.48Å; F650-I654 PolarHBondContact O-N 3.49Å; I654-P657 WeakPolarHBondContact O-CD 3.4Å; I654-V658 HydrophobicContact CG2-CG2 4.32Å; I654-V658 VanDerWaalsContact O-CB 3.32Å; I654-V658 WeakPolarHBondContact O-CB 3.47Å; I654-V658 WeakPolarHBondContact O-CG2 3.42Å; I654-V658 PolarHBondContact O-N 3.16Å |
| 655 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | -61.9 | -57.7 | -168.7 | -53.7 | -56.1 | 0 | 0 | 0 | 111.7 | V597 Q600 V601 F650 F651 V658 F659 | V597-I655 HydrophobicContact CB-CD1 3.65Å; V597-I655 HydrophobicContact CG1-CD1 4.18Å; V597-I655 HydrophobicContact CG2-CD1 3.84Å; Q600-I655 HydrophobicContact CB-CD1 3.87Å; Q600-I655 HydrophobicContact CB-CG1 4Å; Q600-I655 HydrophobicContact CB-CG2 4Å; Q600-I655 HydrophobicContact CG-CD1 3.71Å; Q600-I655 HydrophobicContact CG-CG1 4.1Å; V601-I655 HydrophobicContact CG1-CG2 3.72Å; F650-I655 HydrophobicContact CD1-CD1 4.17Å; F650-I655 HydrophobicContact CD1-CG1 3.93Å; F650-I655 HydrophobicContact CE1-CD1 3.56Å; F650-I655 HydrophobicContact CE1-CG1 3.85Å; F650-I655 HydrophobicContact CE2-CD1 4.24Å; F650-I655 HydrophobicContact CG-CG1 4.39Å; F650-I655 HydrophobicContact CZ-CD1 3.59Å; F650-I655 HydrophobicContact CZ-CG1 4.21Å; F650-I655 PolarHBondContact O-N 3.33Å; F650-I655 VanDerWaalsContact O-N 3.12Å; F651-I655 HydrophobicContact CD1-CB 4.03Å; F651-I655 HydrophobicContact CD1-CG1 4.46Å; F651-I655 HydrophobicContact CD1-CG2 3.99Å; F651-I655 HydrophobicContact CD2-CG1 4.44Å; F651-I655 HydrophobicContact CE1-CB 4.42Å; F651-I655 HydrophobicContact CE1-CG2 3.97Å; F651-I655 HydrophobicContact CG-CB 4.27Å; F651-I655 HydrophobicContact CG-CG1 4.36Å; F651-I655 PolarHBondContact O-N 2.92Å; I655-V658 PolarHBondContact O-N 2.94Å; I655-F659 HydrophobicContact CG2-CD2 3.89Å; I655-F659 HydrophobicContact CG2-CE2 4.23Å; I655-F659 VanDerWaalsContact O-CD2 3.29Å; I655-F659 WeakPolarHBondContact O-CD2 3.46Å; I655-F659 PolarHBondContact O-N 3.39Å |
| 656 | L | 98.3 | Very high | 96.8 | Very high | 19 Ų | 19 | 30 Ų | 30 | 10% | 0.099 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | -177.6 | -64.3 | -173.4 | 0 | 0 | 0 | 112.3 | F651 V658 F659 K660 Y673 Q677 | F651-L656 HydrophobicContact CD1-CD2 4.47Å; F651-L656 HydrophobicContact CD1-CG 4.48Å; F651-L656 WeakPolarHBondContact O-CB 3.44Å; F651-L656 WeakPolarHBondContact O-CG 3.3Å; F651-L656 PolarHBondContact O-N 3.39Å; L656-V658 PolarHBondContact O-N 3.34Å; L656-F659 PolarHBondContact O-N 3.49Å; L656-K660 VanDerWaalsContact O-CB 3.26Å; L656-K660 WeakPolarHBondContact O-CB 3.49Å; L656-K660 PolarHBondContact O-N 2.83Å; L656-Y673 HydrophobicContact CB-CE2 4.03Å; L656-Y673 HydrophobicContact CD2-CD2 4.33Å; L656-Y673 HydrophobicContact CD2-CE2 4Å; L656-Y673 WeakPolarHBondContact O-CE2 3.45Å; L656-Q677 HydrophobicContact CD1-CG 4.38Å; L656-Q677 HydrophobicContact CD2-CG 3.87Å |
| 657 | P | 97.1 | Very high | 96.8 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 24% | 0.24 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.9 | -44.3 | 174.6 | -28.9 | 36.7 | 0 | 0 | 0 | 114.3 | D652 I654 K660 M661 | D652-P657 WeakPolarHBondContact O-CD 3.41Å; D652-P657 VanDerWaalsContact O-CG 3.26Å; D652-P657 WeakPolarHBondContact O-CG 3.19Å; I654-P657 WeakPolarHBondContact O-CD 3.4Å; P657-K660 PolarHBondContact O-N 3.36Å; P657-M661 WeakPolarHBondContact O-CB 3.2Å; P657-M661 PolarHBondContact O-N 2.96Å |
| 658 | V | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63 | -49.2 | 178.8 | 167.4 | 0 | 0 | 0 | 0 | 110.7 | Y561 L590 T593 V594 I654 I655 L656 K660 M661 I662 | Y561-V658 HydrophobicContact CD2-CG2 4.37Å; Y561-V658 HydrophobicContact CE1-CG2 3.92Å; Y561-V658 HydrophobicContact CE2-CG2 3.67Å; Y561-V658 VanDerWaalsContact CZ-CG2 3.4Å; Y561-V658 WeakPolarHBondContact OH-CG2 3.45Å; L590-V658 HydrophobicContact CD1-CG1 4.23Å; T593-V658 HydrophobicContact CG2-CG1 4.3Å; T593-V658 HydrophobicContact CG2-CG2 4.04Å; V594-V658 HydrophobicContact CB-CG1 4.43Å; V594-V658 HydrophobicContact CG2-CG1 3.49Å; V594-V658 VanDerWaalsContact CG2-CG1 3.49Å; I654-V658 HydrophobicContact CG2-CG2 4.32Å; I654-V658 VanDerWaalsContact O-CB 3.32Å; I654-V658 WeakPolarHBondContact O-CB 3.47Å; I654-V658 WeakPolarHBondContact O-CG2 3.42Å; I654-V658 PolarHBondContact O-N 3.16Å; I655-V658 PolarHBondContact O-N 2.94Å; L656-V658 PolarHBondContact O-N 3.34Å; V658-K660 VanDerWaalsContact C-N 3.34Å; V658-K660 PolarHBondContact O-N 2.99Å; V658-M661 WeakPolarHBondContact O-CB 3.47Å; V658-M661 PolarHBondContact O-N 3.24Å; V658-I662 PolarHBondContact O-N 3.49Å |
| 659 | F | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.6 | -28.1 | -178.3 | -79.9 | -80.8 | 0 | 0 | 0 | 113.1 | F454 V594 V597 V601 I655 L656 I662 S663 M669 V672 Y673 | F454-F659 HydrophobicContact CE1-CE1 4.29Å; F454-F659 HydrophobicContact CZ-CE1 4.03Å; V594-F659 HydrophobicContact CG1-CD1 4.48Å; V594-F659 HydrophobicContact CG1-CE1 3.68Å; V594-F659 HydrophobicContact CG1-CZ 3.96Å; V594-F659 WeakPolarHBondContact O-CZ 3.5Å; V597-F659 HydrophobicContact CG2-CE2 3.78Å; V597-F659 HydrophobicContact CG2-CZ 4.43Å; V601-F659 HydrophobicContact CB-CE1 4.38Å; V601-F659 HydrophobicContact CB-CE2 4.28Å; V601-F659 HydrophobicContact CB-CZ 4.22Å; V601-F659 HydrophobicContact CG1-CD1 4.2Å; V601-F659 HydrophobicContact CG1-CD2 3.46Å; V601-F659 VanDerWaalsContact CG1-CD2 3.46Å; V601-F659 HydrophobicContact CG1-CE1 4.23Å; V601-F659 HydrophobicContact CG1-CE2 3.48Å; V601-F659 VanDerWaalsContact CG1-CE2 3.48Å; V601-F659 HydrophobicContact CG1-CG 3.85Å; V601-F659 HydrophobicContact CG1-CZ 3.9Å; V601-F659 HydrophobicContact CG2-CD1 4.2Å; V601-F659 HydrophobicContact CG2-CD2 4.42Å; V601-F659 HydrophobicContact CG2-CE1 3.52Å; V601-F659 HydrophobicContact CG2-CE2 3.77Å; V601-F659 HydrophobicContact CG2-CZ 3.29Å; I655-F659 HydrophobicContact CG2-CD2 3.89Å; I655-F659 HydrophobicContact CG2-CE2 4.23Å; I655-F659 VanDerWaalsContact O-CD2 3.29Å; I655-F659 WeakPolarHBondContact O-CD2 3.46Å; I655-F659 PolarHBondContact O-N 3.39Å; L656-F659 PolarHBondContact O-N 3.49Å; F659-I662 HydrophobicContact CD1-CG2 4.23Å; F659-I662 WeakPolarHBondContact O-CG2 3.43Å; F659-S663 WeakPolarHBondContact O-CB 3.3Å; F659-S663 PolarHBondContact O-N 3.47Å; F659-S663 VanDerWaalsContact O-N 3.14Å; F659-M669 HydrophobicContact CD1-CE 4.22Å; F659-M669 HydrophobicContact CE1-CE 4.06Å; F659-V672 HydrophobicContact CD1-CB 4.48Å; F659-V672 HydrophobicContact CD1-CG1 3.69Å; F659-V672 HydrophobicContact CE1-CG1 3.67Å; F659-Y673 HydrophobicContact CB-CD2 4.04Å |
| 660 | K | 96.9 | Very high | 96.6 | Very high | 89 Ų | 89 | 33.9 Ų | 33.9 | 39% | 0.387 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -71 | -37.4 | 170.7 | -168.7 | 51.9 | 171 | 175.5 | 0 | 112.2 | L656 P657 V658 S663 A664 E670 Y673 | L656-K660 VanDerWaalsContact O-CB 3.26Å; L656-K660 WeakPolarHBondContact O-CB 3.49Å; L656-K660 PolarHBondContact O-N 2.83Å; P657-K660 PolarHBondContact O-N 3.36Å; V658-K660 VanDerWaalsContact C-N 3.34Å; V658-K660 PolarHBondContact O-N 2.99Å; K660-S663 PolarHBondContact O-N 3.14Å; K660-S663 PolarHBondContact O-OG 3.4Å; K660-S663 VanDerWaalsContact O-OG 3.13Å; K660-A664 PolarHBondContact O-N 2.84Å; K660-E670 VanDerWaalsContact NZ-CD 3.33Å; K660-E670 IonicContact NZ-OE1 3.59Å; K660-E670 PolarHBondContact NZ-OE1 2.93Å; K660-E670 IonicContact NZ-OE2 2.85Å; K660-E670 PolarHBondContact NZ-OE2 3.41Å; K660-E670 VanDerWaalsContact NZ-OE2 3.09Å; K660-Y673 HydrophobicContact CB-CD2 3.94Å; K660-Y673 HydrophobicContact CB-CE2 3.66Å; K660-Y673 HydrophobicContact CD-CD1 4.14Å; K660-Y673 HydrophobicContact CD-CD2 4.41Å; K660-Y673 HydrophobicContact CD-CE1 3.91Å; K660-Y673 HydrophobicContact CD-CE2 4.18Å; K660-Y673 HydrophobicContact CD-CG 4.38Å; K660-Y673 HydrophobicContact CG-CE2 4.32Å |
| 661 | M | 95.5 | Very high | 96.6 | Very high | 14 Ų | 14 | 34.7 Ų | 34.7 | 7% | 0.069 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63 | -50 | 176.5 | -170.9 | 75.2 | 70.7 | 0 | 0 | 111.1 | L568 M569 S572 L590 P657 V658 S663 A664 F665 | L568-M661 HydrophobicContact CB-CE 4.28Å; L568-M661 HydrophobicContact CB-SD 4.39Å; M569-M661 HydrophobicContact CB-CE 4.06Å; M569-M661 HydrophobicContact CE-CE 4.29Å; M569-M661 HydrophobicContact CG-CE 3.19Å; M569-M661 HydrophobicContact CG-SD 4.3Å; S572-M661 PolarHBondContact OG-SD 2.94Å; S572-M661 VanDerWaalsContact OG-SD 3.39Å; L590-M661 HydrophobicContact CD2-CB 4.31Å; L590-M661 HydrophobicContact CD2-CG 3.7Å; P657-M661 WeakPolarHBondContact O-CB 3.2Å; P657-M661 PolarHBondContact O-N 2.96Å; V658-M661 WeakPolarHBondContact O-CB 3.47Å; V658-M661 PolarHBondContact O-N 3.24Å; M661-S663 VanDerWaalsContact C-N 3.28Å; M661-S663 PolarHBondContact O-N 3.49Å; M661-A664 WeakPolarHBondContact O-CB 3.43Å; M661-A664 PolarHBondContact O-N 2.96Å; M661-F665 HydrophobicContact CG-CD2 4.46Å; M661-F665 HydrophobicContact CG-CE2 3.98Å; M661-F665 VanDerWaalsContact O-CD2 3.3Å; M661-F665 WeakPolarHBondContact O-CD2 3.43Å; M661-F665 PolarHBondContact O-N 3.4Å; M661-F665 HydrophobicContact SD-CE2 4.37Å |
| 662 | I | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.5 | -30.8 | -178.4 | -163.2 | 64.3 | 0 | 0 | 0 | 111.7 | M458 L587 L590 L591 V594 V658 F659 A664 F665 F666 M669 | M458-I662 HydrophobicContact CE-CD1 4.46Å; M458-I662 HydrophobicContact CE-CG1 4.04Å; L587-I662 HydrophobicContact CD1-CD1 4.39Å; L590-I662 HydrophobicContact CD2-CB 4.39Å; L590-I662 HydrophobicContact CD2-CD1 3.88Å; L590-I662 HydrophobicContact CG-CD1 4.14Å; L591-I662 HydrophobicContact CD2-CD1 4.06Å; V594-I662 HydrophobicContact CG2-CB 3.85Å; V594-I662 HydrophobicContact CG2-CG1 4.05Å; V594-I662 HydrophobicContact CG2-CG2 3.91Å; V658-I662 PolarHBondContact O-N 3.49Å; F659-I662 HydrophobicContact CD1-CG2 4.23Å; F659-I662 WeakPolarHBondContact O-CG2 3.43Å; I662-A664 VanDerWaalsContact C-N 3.3Å; I662-A664 PolarHBondContact O-N 3.06Å; I662-F665 PolarHBondContact O-N 3.42Å; I662-F666 HydrophobicContact CD1-CD2 3.6Å; I662-F666 HydrophobicContact CD1-CE2 3.72Å; I662-F666 HydrophobicContact CG1-CD2 3.96Å; I662-F666 PolarHBondContact O-N 3.34Å; I662-M669 HydrophobicContact CG1-CG 4.4Å; I662-M669 HydrophobicContact CG2-CB 4.1Å; I662-M669 HydrophobicContact CG2-CE 4.23Å; I662-M669 HydrophobicContact CG2-CG 4.24Å |
| 663 | S | 96.4 | Very high | 96.6 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.6 | -26.4 | 175 | 81.6 | 0 | 0 | 0 | 0 | 113.6 | F659 K660 M661 F665 F666 P667 E670 | F659-S663 WeakPolarHBondContact O-CB 3.3Å; F659-S663 PolarHBondContact O-N 3.47Å; F659-S663 VanDerWaalsContact O-N 3.14Å; K660-S663 PolarHBondContact O-N 3.14Å; K660-S663 PolarHBondContact O-OG 3.4Å; K660-S663 VanDerWaalsContact O-OG 3.13Å; M661-S663 VanDerWaalsContact C-N 3.28Å; M661-S663 PolarHBondContact O-N 3.49Å; S663-F665 VanDerWaalsContact C-N 3.32Å; S663-F666 WeakPolarHBondContact CA-O 3.45Å; S663-F666 CarbonylContact O-C 3.53Å; S663-F666 VanDerWaalsContact O-C 3.29Å; S663-P667 WeakPolarHBondContact O-CA 3.44Å; S663-E670 VanDerWaalsContact CB-OE2 3.23Å; S663-E670 WeakPolarHBondContact CB-OE2 3.39Å; S663-E670 PolarHBondContact OG-OE2 3.23Å |
| 664 | A | 94.4 | Very high | 96.6 | Very high | 57 Ų | 57 | 33.6 Ų | 33.6 | 47% | 0.471 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.3 | -32.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | K660 M661 I662 | K660-A664 PolarHBondContact O-N 2.84Å; M661-A664 WeakPolarHBondContact O-CB 3.43Å; M661-A664 PolarHBondContact O-N 2.96Å; I662-A664 VanDerWaalsContact C-N 3.3Å; I662-A664 PolarHBondContact O-N 3.06Å |
| 665 | F | 93.3 | Very high | 96.7 | Very high | 36 Ų | 36 | 34.7 Ų | 34.7 | 16% | 0.158 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -81.8 | -38.8 | 173.8 | -67.4 | -66.2 | 0 | 0 | 0 | 112.6 | L571 S572 I576 L587 L590 M661 I662 S663 | L571-F665 HydrophobicContact CB-CE1 4.25Å; L571-F665 HydrophobicContact CB-CZ 3.95Å; S572-F665 VanDerWaalsContact CA-CE1 3.5Å; S572-F665 VanDerWaalsContact CA-CZ 3.43Å; S572-F665 VanDerWaalsContact N-CZ 3.32Å; I576-F665 HydrophobicContact CD1-CD1 3.65Å; I576-F665 HydrophobicContact CD1-CE1 3.32Å; I576-F665 HydrophobicContact CD1-CG 4.43Å; I576-F665 HydrophobicContact CD1-CZ 3.85Å; I576-F665 HydrophobicContact CG1-CD1 4.22Å; I576-F665 HydrophobicContact CG1-CE1 3.62Å; I576-F665 HydrophobicContact CG1-CZ 4.31Å; L587-F665 HydrophobicContact CD1-CD2 4.44Å; L587-F665 HydrophobicContact CD1-CG 4.47Å; L590-F665 HydrophobicContact CD2-CD2 3.98Å; L590-F665 HydrophobicContact CD2-CE2 3.94Å; M661-F665 HydrophobicContact CG-CD2 4.46Å; M661-F665 HydrophobicContact CG-CE2 3.98Å; M661-F665 VanDerWaalsContact O-CD2 3.3Å; M661-F665 WeakPolarHBondContact O-CD2 3.43Å; M661-F665 PolarHBondContact O-N 3.4Å; M661-F665 HydrophobicContact SD-CE2 4.37Å; I662-F665 PolarHBondContact O-N 3.42Å; S663-F665 VanDerWaalsContact C-N 3.32Å |
| 666 | F | 94.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -131 | 94.2 | -176.1 | -54.4 | -60.6 | 0 | 0 | 0 | 110.1 | I462 E464 I465 F468 L587 L591 I662 S663 Q668 M669 | I462-F666 HydrophobicContact CD1-CB 4.01Å; I462-F666 HydrophobicContact CD1-CG 4.34Å; I462-F666 HydrophobicContact CG2-CB 3.96Å; I462-F666 HydrophobicContact CG2-CD1 3.49Å; I462-F666 VanDerWaalsContact CG2-CD1 3.49Å; I462-F666 HydrophobicContact CG2-CE1 4.11Å; I462-F666 HydrophobicContact CG2-CG 3.77Å; E464-F666 HydrophobicContact CB-CD1 4.15Å; E464-F666 HydrophobicContact CB-CE1 3.86Å; I465-F666 HydrophobicContact CD1-CE2 4.35Å; I465-F666 HydrophobicContact CG1-CE1 4.04Å; I465-F666 HydrophobicContact CG1-CE2 4.05Å; I465-F666 HydrophobicContact CG1-CZ 3.73Å; F468-F666 HydrophobicContact CD2-CE1 4.17Å; F468-F666 HydrophobicContact CD2-CZ 4.18Å; F468-F666 AromaticContact CE2-CE1 3.78Å; F468-F666 HydrophobicContact CE2-CE1 3.78Å; F468-F666 HydrophobicContact CE2-CZ 4.13Å; L587-F666 HydrophobicContact CD1-CE2 4.01Å; L587-F666 HydrophobicContact CD1-CZ 4.29Å; L587-F666 HydrophobicContact CD2-CZ 4.15Å; L591-F666 HydrophobicContact CD2-CE2 4.3Å; I662-F666 HydrophobicContact CD1-CD2 3.6Å; I662-F666 HydrophobicContact CD1-CE2 3.72Å; I662-F666 HydrophobicContact CG1-CD2 3.96Å; I662-F666 PolarHBondContact O-N 3.34Å; S663-F666 WeakPolarHBondContact CA-O 3.45Å; S663-F666 CarbonylContact O-C 3.53Å; S663-F666 VanDerWaalsContact O-C 3.29Å; F666-Q668 PolarHBondContact O-N 3.04Å; F666-M669 HydrophobicContact CB-CG 4.17Å; F666-M669 WeakPolarHBondContact O-CB 3.3Å; F666-M669 PolarHBondContact O-N 2.81Å | ||
| 667 | P | 94.7 | Very high | 96.7 | Very high | 96 Ų | 96 | 37.9 Ų | 37.9 | 62% | 0.623 | 21% | 0.206 | S | C | * | . | G | 310 helix | trans | -55 | -24.3 | -175.8 | -29.1 | 36.2 | 0 | 0 | 0 | 114.8 | S663 M669 E670 | S663-P667 WeakPolarHBondContact O-CA 3.44Å; P667-M669 PolarHBondContact O-N 2.98Å; P667-M669 VanDerWaalsContact O-N 3.15Å; P667-E670 WeakPolarHBondContact O-CB 3.28Å; P667-E670 PolarHBondContact O-N 2.81Å |
| 668 | Q | 95.2 | Very high | 96.7 | Very high | 66 Ų | 66 | 39.8 Ų | 39.8 | 31% | 0.308 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -58.4 | -24.2 | 174.2 | -57.7 | 90.7 | -25.8 | 0 | 0 | 112.9 | I462 E464 F666 E670 S671 | I462-Q668 HydrophobicContact CG1-CB 4.09Å; I462-Q668 HydrophobicContact CG1-CG 4.46Å; E464-Q668 PolarHBondContact OE2-NE2 3.19Å; E464-Q668 VanDerWaalsContact OE2-NE2 3.12Å; F666-Q668 PolarHBondContact O-N 3.04Å; Q668-E670 VanDerWaalsContact C-N 3.31Å; Q668-E670 PolarHBondContact O-N 2.9Å; Q668-S671 PolarHBondContact O-OG 2.98Å |
| 669 | M | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -79.9 | -5.5 | 178 | -63.6 | -61.9 | -67.7 | 0 | 0 | 113.8 | F390 F454 M458 I462 V594 F659 I662 F666 P667 S671 V672 Y673 | F390-M669 HydrophobicContact CE1-CE 4.46Å; F390-M669 HydrophobicContact CE1-SD 3.96Å; F390-M669 HydrophobicContact CE2-SD 4.06Å; F390-M669 HydrophobicContact CZ-SD 3.59Å; F390-M669 VanDerWaalsContact CZ-SD 3.59Å; F454-M669 HydrophobicContact CE1-CE 3.8Å; F454-M669 HydrophobicContact CZ-CE 3.87Å; M458-M669 HydrophobicContact CE-CE 4.2Å; M458-M669 HydrophobicContact CE-CG 4.46Å; M458-M669 HydrophobicContact CE-SD 4.11Å; M458-M669 HydrophobicContact CG-SD 4.38Å; I462-M669 HydrophobicContact CD1-CG 3.75Å; I462-M669 HydrophobicContact CD1-SD 3.7Å; V594-M669 HydrophobicContact CG1-CE 4.26Å; F659-M669 HydrophobicContact CD1-CE 4.22Å; F659-M669 HydrophobicContact CE1-CE 4.06Å; I662-M669 HydrophobicContact CG1-CG 4.4Å; I662-M669 HydrophobicContact CG2-CB 4.1Å; I662-M669 HydrophobicContact CG2-CE 4.23Å; I662-M669 HydrophobicContact CG2-CG 4.24Å; F666-M669 HydrophobicContact CB-CG 4.17Å; F666-M669 WeakPolarHBondContact O-CB 3.3Å; F666-M669 PolarHBondContact O-N 2.81Å; P667-M669 PolarHBondContact O-N 2.98Å; P667-M669 VanDerWaalsContact O-N 3.15Å; M669-S671 VanDerWaalsContact C-N 3.29Å; M669-S671 PolarHBondContact O-N 2.76Å; M669-V672 HydrophobicContact CE-CB 4.07Å; M669-V672 HydrophobicContact CE-CG1 4.11Å; M669-V672 HydrophobicContact CE-CG2 3.96Å; M669-V672 WeakPolarHBondContact O-CB 3.31Å; M669-V672 PolarHBondContact O-N 2.89Å; M669-V672 HydrophobicContact SD-CG2 4.16Å; M669-Y673 PolarHBondContact O-N 2.83Å |
| 670 | E | 97.3 | Very high | 96.8 | Very high | 55 Ų | 55 | 43 Ų | 43 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.9 | -38.4 | 179.6 | -165.7 | 69 | -162.4 | 0 | 0 | 111.4 | K660 S663 P667 Q668 V672 Y673 E674 | K660-E670 VanDerWaalsContact NZ-CD 3.33Å; K660-E670 IonicContact NZ-OE1 3.59Å; K660-E670 PolarHBondContact NZ-OE1 2.93Å; K660-E670 IonicContact NZ-OE2 2.85Å; K660-E670 PolarHBondContact NZ-OE2 3.41Å; K660-E670 VanDerWaalsContact NZ-OE2 3.09Å; S663-E670 VanDerWaalsContact CB-OE2 3.23Å; S663-E670 WeakPolarHBondContact CB-OE2 3.39Å; S663-E670 PolarHBondContact OG-OE2 3.23Å; P667-E670 WeakPolarHBondContact O-CB 3.28Å; P667-E670 PolarHBondContact O-N 2.81Å; Q668-E670 VanDerWaalsContact C-N 3.31Å; Q668-E670 PolarHBondContact O-N 2.9Å; E670-V672 PolarHBondContact O-N 2.78Å; E670-Y673 WeakPolarHBondContact O-CB 3.23Å; E670-Y673 PolarHBondContact O-N 3.26Å; E670-Y673 VanDerWaalsContact O-N 3.11Å; E670-Y673 WeakPolarHBondContact OE1-CD1 3.37Å; E670-E674 WeakPolarHBondContact O-CG 3.45Å; E670-E674 PolarHBondContact O-N 2.86Å |
| 671 | S | 96.4 | Very high | 96.9 | Very high | 71 Ų | 71 | 44.4 Ų | 44.4 | 50% | 0.497 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.4 | -32.5 | 174.5 | 64.4 | 0 | 0 | 0 | 0 | 113.3 | Q668 M669 N675 | Q668-S671 PolarHBondContact O-OG 2.98Å; M669-S671 VanDerWaalsContact C-N 3.29Å; M669-S671 PolarHBondContact O-N 2.76Å; S671-N675 WeakPolarHBondContact O-CB 3.36Å; S671-N675 PolarHBondContact O-N 3.49Å; S671-N675 VanDerWaalsContact O-N 3.15Å |
| 672 | V | 98.1 | Very high | 97 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.3 | -42.1 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | F390 F454 V601 F659 M669 E670 N675 G676 | F390-V672 HydrophobicContact CB-CG2 3.79Å; F390-V672 HydrophobicContact CD1-CG2 4.28Å; F390-V672 HydrophobicContact CD2-CG2 3.54Å; F390-V672 HydrophobicContact CE2-CG2 4.15Å; F390-V672 HydrophobicContact CG-CG2 3.61Å; F454-V672 HydrophobicContact CZ-CG1 4.09Å; V601-V672 HydrophobicContact CB-CG1 3.75Å; V601-V672 HydrophobicContact CG1-CG1 4.49Å; V601-V672 HydrophobicContact CG2-CG1 3.43Å; V601-V672 VanDerWaalsContact CG2-CG1 3.43Å; F659-V672 HydrophobicContact CD1-CB 4.48Å; F659-V672 HydrophobicContact CD1-CG1 3.69Å; F659-V672 HydrophobicContact CE1-CG1 3.67Å; M669-V672 HydrophobicContact CE-CB 4.07Å; M669-V672 HydrophobicContact CE-CG1 4.11Å; M669-V672 HydrophobicContact CE-CG2 3.96Å; M669-V672 WeakPolarHBondContact O-CB 3.31Å; M669-V672 PolarHBondContact O-N 2.89Å; M669-V672 HydrophobicContact SD-CG2 4.16Å; E670-V672 PolarHBondContact O-N 2.78Å; V672-N675 PolarHBondContact O-N 2.9Å; V672-G676 PolarHBondContact O-N 2.96Å |
| 673 | Y | 98.2 | Very high | 97 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 13% | 0.125 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.7 | -46.6 | 174.3 | 170.7 | -105.1 | 0 | 0 | 0 | 111.8 | L656 F659 K660 M669 E670 N675 G676 Q677 | L656-Y673 HydrophobicContact CB-CE2 4.03Å; L656-Y673 HydrophobicContact CD2-CD2 4.33Å; L656-Y673 HydrophobicContact CD2-CE2 4Å; L656-Y673 WeakPolarHBondContact O-CE2 3.45Å; F659-Y673 HydrophobicContact CB-CD2 4.04Å; K660-Y673 HydrophobicContact CB-CD2 3.94Å; K660-Y673 HydrophobicContact CB-CE2 3.66Å; K660-Y673 HydrophobicContact CD-CD1 4.14Å; K660-Y673 HydrophobicContact CD-CD2 4.41Å; K660-Y673 HydrophobicContact CD-CE1 3.91Å; K660-Y673 HydrophobicContact CD-CE2 4.18Å; K660-Y673 HydrophobicContact CD-CG 4.38Å; K660-Y673 HydrophobicContact CG-CE2 4.32Å; M669-Y673 PolarHBondContact O-N 2.83Å; E670-Y673 WeakPolarHBondContact O-CB 3.23Å; E670-Y673 PolarHBondContact O-N 3.26Å; E670-Y673 VanDerWaalsContact O-N 3.11Å; E670-Y673 WeakPolarHBondContact OE1-CD1 3.37Å; Y673-N675 VanDerWaalsContact C-N 3.3Å; Y673-N675 PolarHBondContact O-N 3.45Å; Y673-G676 CarbonylContact O-C 3.58Å; Y673-G676 WeakPolarHBondContact O-CA 3.33Å; Y673-G676 PolarHBondContact O-N 3.37Å; Y673-Q677 VanDerWaalsContact CE1-CD 3.45Å; Y673-Q677 HydrophobicContact CE1-CG 4.05Å; Y673-Q677 HydrophobicContact CE2-CG 4.32Å; Y673-Q677 PolarHBondContact O-N 2.81Å; Y673-Q677 PolarHBondContact OH-NE2 3.42Å |
| 674 | E | 98.1 | Very high | 97 | Very high | 106 Ų | 106 | 47.8 Ų | 47.8 | 50% | 0.495 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.1 | -39.6 | 175.7 | -72.2 | 175.5 | 172.3 | 0 | 0 | 112.3 | E670 G676 Q677 T678 | E670-E674 WeakPolarHBondContact O-CG 3.45Å; E670-E674 PolarHBondContact O-N 2.86Å; E674-G676 VanDerWaalsContact C-N 3.32Å; E674-G676 PolarHBondContact O-N 3.38Å; E674-Q677 WeakPolarHBondContact O-CB 3.15Å; E674-Q677 PolarHBondContact O-N 3.44Å; E674-T678 PolarHBondContact O-N 2.73Å; E674-T678 PolarHBondContact O-OG1 3.11Å; E674-T678 VanDerWaalsContact O-OG1 3.05Å |
| 675 | N | 97.7 | Very high | 97.1 | Very high | 40 Ų | 40 | 48.6 Ų | 48.6 | 21% | 0.214 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.3 | -34.9 | 175.7 | -163.7 | 56.7 | 0 | 0 | 0 | 111.8 | V601 K602 S671 V672 Y673 T678 N679 | V601-N675 PolarHBondContact O-ND2 3.26Å; K602-N675 VanDerWaalsContact C-ND2 3.34Å; K602-N675 PolarHBondContact O-ND2 3.23Å; S671-N675 WeakPolarHBondContact O-CB 3.36Å; S671-N675 PolarHBondContact O-N 3.49Å; S671-N675 VanDerWaalsContact O-N 3.15Å; V672-N675 PolarHBondContact O-N 2.9Å; Y673-N675 VanDerWaalsContact C-N 3.3Å; Y673-N675 PolarHBondContact O-N 3.45Å; N675-T678 WeakPolarHBondContact O-CB 3.42Å; N675-T678 PolarHBondContact O-N 3.04Å; N675-N679 PolarHBondContact O-N 2.83Å |
| 676 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -43 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F651 V672 Y673 E674 T678 N679 R680 | F651-G676 WeakPolarHBondContact CE1-O 3.5Å; V672-G676 PolarHBondContact O-N 2.96Å; Y673-G676 CarbonylContact O-C 3.58Å; Y673-G676 WeakPolarHBondContact O-CA 3.33Å; Y673-G676 PolarHBondContact O-N 3.37Å; E674-G676 VanDerWaalsContact C-N 3.32Å; E674-G676 PolarHBondContact O-N 3.38Å; G676-T678 VanDerWaalsContact C-N 3.29Å; G676-T678 PolarHBondContact O-N 2.89Å; G676-N679 PolarHBondContact O-N 3.36Å; G676-R680 PolarHBondContact O-N 2.67Å |
| 677 | Q | 98.5 | Very high | 97.1 | Very high | 85 Ų | 85 | 52.8 Ų | 52.8 | 40% | 0.397 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | 174.9 | -64.6 | -178.7 | -59.4 | 0 | 0 | 111.6 | L656 Y673 E674 R680 R681 | L656-Q677 HydrophobicContact CD1-CG 4.38Å; L656-Q677 HydrophobicContact CD2-CG 3.87Å; Y673-Q677 VanDerWaalsContact CE1-CD 3.45Å; Y673-Q677 HydrophobicContact CE1-CG 4.05Å; Y673-Q677 HydrophobicContact CE2-CG 4.32Å; Y673-Q677 PolarHBondContact O-N 2.81Å; Y673-Q677 PolarHBondContact OH-NE2 3.42Å; E674-Q677 WeakPolarHBondContact O-CB 3.15Å; E674-Q677 PolarHBondContact O-N 3.44Å; Q677-R680 PolarHBondContact O-N 2.88Å; Q677-R681 PolarHBondContact O-N 3.25Å |
| 678 | T | 98.4 | Very high | 97 | Very high | 78 Ų | 78 | 52.9 Ų | 52.9 | 48% | 0.479 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 175.2 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | E674 N675 G676 R680 R681 C682 | E674-T678 PolarHBondContact O-N 2.73Å; E674-T678 PolarHBondContact O-OG1 3.11Å; E674-T678 VanDerWaalsContact O-OG1 3.05Å; N675-T678 WeakPolarHBondContact O-CB 3.42Å; N675-T678 PolarHBondContact O-N 3.04Å; G676-T678 VanDerWaalsContact C-N 3.29Å; G676-T678 PolarHBondContact O-N 2.89Å; T678-R680 PolarHBondContact O-N 3.14Å; T678-R681 WeakPolarHBondContact O-CB 3.13Å; T678-R681 PolarHBondContact O-N 2.9Å; T678-R681 VanDerWaalsContact O-N 3.13Å; T678-C682 PolarHBondContact O-N 3.14Å; T678-C682 PolarHBondContact O-SG 3Å |
| 679 | N | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 177.4 | -72 | -18.4 | 0 | 0 | 0 | 112.3 | Q600 K602 W604 F651 N675 G676 R681 C682 Y683 | Q600-N679 PolarHBondContact O-ND2 3.04Å; K602-N679 PolarHBondContact O-ND2 2.97Å; W604-N679 VanDerWaalsContact CA-OD1 3.26Å; W604-N679 WeakPolarHBondContact CA-OD1 3.35Å; W604-N679 HydrophobicContact CE3-CB 4.33Å; W604-N679 PolarHBondContact N-OD1 3.49Å; F651-N679 HydrophobicContact CE1-CB 3.9Å; F651-N679 HydrophobicContact CZ-CB 3.89Å; N675-N679 PolarHBondContact O-N 2.83Å; G676-N679 PolarHBondContact O-N 3.36Å; N679-R681 VanDerWaalsContact C-N 3.3Å; N679-R681 PolarHBondContact O-N 2.89Å; N679-C682 WeakPolarHBondContact O-CB 2.87Å; N679-C682 PolarHBondContact O-N 3.31Å; N679-C682 VanDerWaalsContact O-N 3.17Å; N679-Y683 WeakPolarHBondContact O-CD2 3.45Å; N679-Y683 PolarHBondContact O-N 3.32Å |
| 680 | R | 98.4 | Very high | 96.2 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.3 | -44.9 | 171.9 | -177.1 | -165.5 | 178.1 | -81.9 | -1.6 | 111.4 | L648 F651 D652 G676 Q677 T678 C682 Y683 E684 | L648-R680 HydrophobicContact CD2-CG 4.16Å; F651-R680 HydrophobicContact CB-CB 4.19Å; F651-R680 HydrophobicContact CB-CG 4.02Å; F651-R680 HydrophobicContact CD1-CB 3.77Å; F651-R680 HydrophobicContact CE1-CB 4.43Å; F651-R680 HydrophobicContact CG-CB 4.1Å; F651-R680 HydrophobicContact CG-CG 4.43Å; D652-R680 IonicContact OD1-CZ 2.8Å; D652-R680 IonicContact OD1-NE 2.98Å; D652-R680 PolarHBondContact OD1-NE 3.44Å; D652-R680 IonicContact OD1-NH2 3.8Å; D652-R680 PolarHBondContact OD1-NH2 2.94Å; D652-R680 IonicContact OD2-CZ 3.22Å; D652-R680 IonicContact OD2-NE 3.48Å; D652-R680 IonicContact OD2-NH2 2.95Å; D652-R680 PolarHBondContact OD2-NH2 3.38Å; G676-R680 PolarHBondContact O-N 2.67Å; Q677-R680 PolarHBondContact O-N 2.88Å; T678-R680 PolarHBondContact O-N 3.14Å; R680-C682 VanDerWaalsContact C-N 3.27Å; R680-C682 PolarHBondContact O-N 3.05Å; R680-Y683 WeakPolarHBondContact O-CB 3.04Å; R680-Y683 PolarHBondContact O-N 2.82Å; R680-Y683 VanDerWaalsContact O-N 3.12Å; R680-E684 IonicContact NH1-OE2 2.85Å; R680-E684 PolarHBondContact O-N 3.37Å |
| 681 | R | 98.3 | Very high | 95.4 | Very high | 119 Ų | 119 | 59.6 Ų | 59.6 | 45% | 0.449 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.7 | -35.6 | 178.4 | -175.9 | 59.1 | 179 | 177.6 | 3.3 | 111.7 | Q677 T678 N679 E684 I685 | Q677-R681 PolarHBondContact O-N 3.25Å; T678-R681 WeakPolarHBondContact O-CB 3.13Å; T678-R681 PolarHBondContact O-N 2.9Å; T678-R681 VanDerWaalsContact O-N 3.13Å; N679-R681 VanDerWaalsContact C-N 3.3Å; N679-R681 PolarHBondContact O-N 2.89Å; R681-E684 VanDerWaalsContact CD-OE2 3.31Å; R681-E684 WeakPolarHBondContact CD-OE2 3.46Å; R681-E684 IonicContact CZ-OE2 3.81Å; R681-E684 IonicContact NE-OE2 3.25Å; R681-E684 IonicContact NH1-OE1 3.48Å; R681-E684 PolarHBondContact NH1-OE1 3.47Å; R681-E684 IonicContact NH1-OE2 3.72Å; R681-E684 PolarHBondContact NH1-OE2 2.75Å; R681-E684 WeakPolarHBondContact O-CB 3.5Å; R681-E684 PolarHBondContact O-N 2.9Å; R681-I685 HydrophobicContact CG-CD1 4.22Å; R681-I685 WeakPolarHBondContact O-CG1 3.42Å; R681-I685 PolarHBondContact O-N 3.04Å |
| 682 | C | 97.8 | Very high | 94.4 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 24% | 0.236 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 172.3 | -66 | 0 | 0 | 0 | 0 | 112.1 | W604 T678 N679 R680 E684 I685 M686 | W604-C682 HydrophobicContact CD2-CB 3.61Å; W604-C682 HydrophobicContact CE3-CB 3.39Å; W604-C682 HydrophobicContact CG-CB 4.4Å; W604-C682 HydrophobicContact CH2-CB 3.65Å; W604-C682 HydrophobicContact CZ2-CB 3.86Å; W604-C682 HydrophobicContact CZ3-CB 3.41Å; W604-C682 VanDerWaalsContact CZ3-CB 3.41Å; T678-C682 PolarHBondContact O-N 3.14Å; T678-C682 PolarHBondContact O-SG 3Å; N679-C682 WeakPolarHBondContact O-CB 2.87Å; N679-C682 PolarHBondContact O-N 3.31Å; N679-C682 VanDerWaalsContact O-N 3.17Å; R680-C682 VanDerWaalsContact C-N 3.27Å; R680-C682 PolarHBondContact O-N 3.05Å; C682-E684 VanDerWaalsContact C-N 3.34Å; C682-E684 PolarHBondContact O-N 2.87Å; C682-I685 PolarHBondContact O-N 2.72Å; C682-M686 WeakPolarHBondContact O-CG 3.43Å; C682-M686 PolarHBondContact O-N 2.96Å |
| 683 | Y | 97.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 71.5 Ų | 71.5 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 173.9 | -77.6 | -65.2 | 0 | 0 | 0 | 113 | W604 A611 I644 Q647 F651 N679 R680 M686 Q687 | W604-Y683 AromaticContact CH2-CD1 3.82Å; W604-Y683 HydrophobicContact CH2-CD1 3.82Å; W604-Y683 HydrophobicContact CH2-CD2 4.13Å; W604-Y683 AromaticContact CH2-CE1 3.75Å; W604-Y683 HydrophobicContact CH2-CE1 3.75Å; W604-Y683 HydrophobicContact CH2-CE2 4.07Å; W604-Y683 HydrophobicContact CH2-CG 4Å; W604-Y683 AromaticContact CH2-CZ 3.88Å; W604-Y683 HydrophobicContact CZ3-CD1 4.24Å; W604-Y683 AromaticContact CZ3-CD2 3.69Å; W604-Y683 HydrophobicContact CZ3-CD2 3.69Å; W604-Y683 HydrophobicContact CZ3-CE1 4.1Å; W604-Y683 AromaticContact CZ3-CE2 3.55Å; W604-Y683 HydrophobicContact CZ3-CE2 3.55Å; W604-Y683 HydrophobicContact CZ3-CG 4.03Å; W604-Y683 AromaticContact CZ3-CZ 3.76Å; A611-Y683 WeakPolarHBondContact CB-OH 3.42Å; I644-Y683 WeakPolarHBondContact CG2-O 3.44Å; Q647-Y683 HydrophobicContact CB-CD1 3.91Å; Q647-Y683 HydrophobicContact CB-CD2 4.21Å; Q647-Y683 HydrophobicContact CB-CE1 3.82Å; Q647-Y683 HydrophobicContact CB-CE2 4.11Å; Q647-Y683 HydrophobicContact CB-CG 4.11Å; Q647-Y683 HydrophobicContact CG-CD1 4.4Å; Q647-Y683 HydrophobicContact CG-CE1 3.83Å; Q647-Y683 HydrophobicContact CG-CE2 4.41Å; Q647-Y683 PolarHBondContact OE1-OH 3.33Å; F651-Y683 HydrophobicContact CD2-CD2 4.25Å; F651-Y683 HydrophobicContact CD2-CE2 4.3Å; F651-Y683 AromaticContact CE2-CD2 3.91Å; F651-Y683 HydrophobicContact CE2-CD2 3.91Å; F651-Y683 AromaticContact CE2-CE2 3.59Å; F651-Y683 HydrophobicContact CE2-CE2 3.59Å; F651-Y683 HydrophobicContact CZ-CD2 4.49Å; F651-Y683 HydrophobicContact CZ-CE2 4.19Å; N679-Y683 WeakPolarHBondContact O-CD2 3.45Å; N679-Y683 PolarHBondContact O-N 3.32Å; R680-Y683 WeakPolarHBondContact O-CB 3.04Å; R680-Y683 PolarHBondContact O-N 2.82Å; R680-Y683 VanDerWaalsContact O-N 3.12Å; Y683-M686 HydrophobicContact CD1-SD 4.28Å; Y683-M686 WeakPolarHBondContact O-CB 3.31Å; Y683-M686 PolarHBondContact O-N 3.46Å; Y683-Q687 PolarHBondContact O-N 3.14Å |
| 684 | E | 96.7 | Very high | 90.8 | Very high | 51 Ų | 51 | 73.5 Ų | 73.5 | 24% | 0.238 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 176.9 | -168.4 | -174.8 | 170.1 | 0 | 0 | 111.4 | L648 R680 R681 C682 M686 Q687 Q688 | L648-E684 HydrophobicContact CD2-CB 4.2Å; R680-E684 IonicContact NH1-OE2 2.85Å; R680-E684 PolarHBondContact O-N 3.37Å; R681-E684 VanDerWaalsContact CD-OE2 3.31Å; R681-E684 WeakPolarHBondContact CD-OE2 3.46Å; R681-E684 IonicContact CZ-OE2 3.81Å; R681-E684 IonicContact NE-OE2 3.25Å; R681-E684 IonicContact NH1-OE1 3.48Å; R681-E684 PolarHBondContact NH1-OE1 3.47Å; R681-E684 IonicContact NH1-OE2 3.72Å; R681-E684 PolarHBondContact NH1-OE2 2.75Å; R681-E684 WeakPolarHBondContact O-CB 3.5Å; R681-E684 PolarHBondContact O-N 2.9Å; C682-E684 VanDerWaalsContact C-N 3.34Å; C682-E684 PolarHBondContact O-N 2.87Å; E684-M686 VanDerWaalsContact C-N 3.33Å; E684-M686 PolarHBondContact O-N 3.37Å; E684-Q687 WeakPolarHBondContact O-CB 3.45Å; E684-Q687 PolarHBondContact O-N 3.32Å; E684-Q688 WeakPolarHBondContact O-CG 3.28Å; E684-Q688 PolarHBondContact O-N 3.17Å |
| 685 | I | 96.2 | Very high | 88.5 | Confident | 74 Ų | 74 | 71.7 Ų | 71.7 | 38% | 0.379 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 173.8 | -67.2 | 165.8 | 0 | 0 | 0 | 110.4 | R681 C682 Q687 Q688 L689 | R681-I685 HydrophobicContact CG-CD1 4.22Å; R681-I685 WeakPolarHBondContact O-CG1 3.42Å; R681-I685 PolarHBondContact O-N 3.04Å; C682-I685 PolarHBondContact O-N 2.72Å; I685-Q687 VanDerWaalsContact C-N 3.31Å; I685-Q687 PolarHBondContact O-N 2.92Å; I685-Q688 PolarHBondContact O-N 2.94Å; I685-L689 HydrophobicContact CG2-CD1 4.02Å; I685-L689 HydrophobicContact CG2-CG 4.41Å; I685-L689 WeakPolarHBondContact O-CG 3.39Å; I685-L689 PolarHBondContact O-N 3.05Å |
| 686 | M | 94 | Very high | 86.1 | Confident | 66 Ų | 66 | 77.1 Ų | 77.1 | 33% | 0.325 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 174.9 | -74.2 | -177.3 | 65.5 | 0 | 0 | 112.2 | W604 I644 C682 Y683 E684 L689 S690 | W604-M686 HydrophobicContact CH2-SD 3.54Å; W604-M686 VanDerWaalsContact CH2-SD 3.54Å; W604-M686 HydrophobicContact CZ2-CG 4.4Å; W604-M686 HydrophobicContact CZ2-SD 3.4Å; W604-M686 WeakPolarHBondContact CZ2-SD 3.33Å; I644-M686 HydrophobicContact CD1-CB 4.08Å; I644-M686 HydrophobicContact CD1-CE 4.32Å; I644-M686 HydrophobicContact CG1-CE 4.45Å; I644-M686 HydrophobicContact CG2-CB 4.46Å; C682-M686 WeakPolarHBondContact O-CG 3.43Å; C682-M686 PolarHBondContact O-N 2.96Å; Y683-M686 HydrophobicContact CD1-SD 4.28Å; Y683-M686 WeakPolarHBondContact O-CB 3.31Å; Y683-M686 PolarHBondContact O-N 3.46Å; E684-M686 VanDerWaalsContact C-N 3.33Å; E684-M686 PolarHBondContact O-N 3.37Å; M686-L689 PolarHBondContact O-N 3.42Å; M686-S690 WeakPolarHBondContact O-CB 3.5Å; M686-S690 PolarHBondContact O-N 3Å |
| 687 | Q | 93.9 | Very high | 83.4 | Confident | 58 Ų | 58 | 85 Ų | 85 | 27% | 0.271 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 177.1 | -166.9 | 177.8 | 51.1 | 0 | 0 | 110.9 | I644 L648 Y683 E684 I685 L689 S690 L691 | I644-Q687 HydrophobicContact CG2-CB 3.68Å; I644-Q687 HydrophobicContact CG2-CG 4.27Å; L648-Q687 HydrophobicContact CD1-CB 4.19Å; L648-Q687 HydrophobicContact CD1-CG 4.44Å; Y683-Q687 PolarHBondContact O-N 3.14Å; E684-Q687 WeakPolarHBondContact O-CB 3.45Å; E684-Q687 PolarHBondContact O-N 3.32Å; I685-Q687 VanDerWaalsContact C-N 3.31Å; I685-Q687 PolarHBondContact O-N 2.92Å; Q687-L689 VanDerWaalsContact C-N 3.34Å; Q687-L689 PolarHBondContact O-N 3.07Å; Q687-S690 PolarHBondContact O-N 3.12Å; Q687-S690 PolarHBondContact O-OG 3.37Å; Q687-L691 HydrophobicContact CG-CD1 4.44Å; Q687-L691 WeakPolarHBondContact O-CG 3.45Å; Q687-L691 PolarHBondContact O-N 2.72Å; Q687-L691 VanDerWaalsContact O-N 3.14Å |
| 688 | Q | 92.4 | Very high | 80.8 | Confident | 98 Ų | 98 | 88 Ų | 88 | 46% | 0.458 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 178.1 | -69.4 | 173 | 6.5 | 0 | 0 | 112 | E684 I685 L691 F692 | E684-Q688 WeakPolarHBondContact O-CG 3.28Å; E684-Q688 PolarHBondContact O-N 3.17Å; I685-Q688 PolarHBondContact O-N 2.94Å; Q688-L691 PolarHBondContact O-N 3.14Å; Q688-F692 PolarHBondContact O-N 3.09Å; Q688-F692 VanDerWaalsContact O-N 3.17Å |
| 689 | L | 90.3 | Very high | 77.7 | Confident | 95 Ų | 95 | 96.4 Ų | 96.4 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 175.4 | -69.9 | 171.7 | 0 | 0 | 0 | 111.1 | I685 M686 Q687 L691 F692 W693 | I685-L689 HydrophobicContact CG2-CD1 4.02Å; I685-L689 HydrophobicContact CG2-CG 4.41Å; I685-L689 WeakPolarHBondContact O-CG 3.39Å; I685-L689 PolarHBondContact O-N 3.05Å; M686-L689 PolarHBondContact O-N 3.42Å; Q687-L689 VanDerWaalsContact C-N 3.34Å; Q687-L689 PolarHBondContact O-N 3.07Å; L689-L691 VanDerWaalsContact C-N 3.28Å; L689-L691 PolarHBondContact O-N 3.2Å; L689-F692 PolarHBondContact O-N 3.42Å; L689-W693 PolarHBondContact O-N 3.35Å; L689-W693 VanDerWaalsContact O-N 3.12Å |
| 690 | S | 84.5 | Confident | 76.7 | Confident | 53 Ų | 53 | 101.2 Ų | 101.2 | 37% | 0.371 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.1 | -41.8 | -179.7 | 74.2 | 0 | 0 | 0 | 0 | 112.7 | M686 Q687 F692 W693 T694 | M686-S690 WeakPolarHBondContact O-CB 3.5Å; M686-S690 PolarHBondContact O-N 3Å; Q687-S690 PolarHBondContact O-N 3.12Å; Q687-S690 PolarHBondContact O-OG 3.37Å; S690-F692 VanDerWaalsContact C-N 3.34Å; S690-F692 PolarHBondContact O-N 3.36Å; S690-W693 PolarHBondContact O-N 3.3Å; S690-T694 PolarHBondContact O-N 3.32Å; S690-T694 PolarHBondContact O-OG1 3.25Å |
| 691 | L | 80.6 | Confident | 75.6 | Confident | 115 Ų | 115 | 103.1 Ų | 103.1 | 60% | 0.602 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.1 | -30.2 | 176.8 | -69.5 | 168.5 | 0 | 0 | 0 | 113 | Q687 Q688 L689 P695 | Q687-L691 HydrophobicContact CG-CD1 4.44Å; Q687-L691 WeakPolarHBondContact O-CG 3.45Å; Q687-L691 PolarHBondContact O-N 2.72Å; Q687-L691 VanDerWaalsContact O-N 3.14Å; Q688-L691 PolarHBondContact O-N 3.14Å; L689-L691 VanDerWaalsContact C-N 3.28Å; L689-L691 PolarHBondContact O-N 3.2Å; L691-P695 WeakPolarHBondContact O-CD 3.24Å |
| 692 | F | 75.5 | Confident | 74.3 | Confident | 151 Ų | 151 | 102.2 Ų | 102.2 | 66% | 0.662 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -76.1 | -31.5 | 179.1 | -154.5 | -88.7 | 0 | 0 | 0 | 112.6 | Q688 L689 S690 | Q688-F692 PolarHBondContact O-N 3.09Å; Q688-F692 VanDerWaalsContact O-N 3.17Å; L689-F692 PolarHBondContact O-N 3.42Å; S690-F692 VanDerWaalsContact C-N 3.34Å; S690-F692 PolarHBondContact O-N 3.36Å |
| 693 | W | 60.5 | Low | 72.9 | Confident | 173 Ų | 173 | 106.2 Ų | 106.2 | 66% | 0.655 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -89.9 | -26.1 | -177.3 | -76.2 | 84.2 | 0 | 0 | 0 | 114 | L689 S690 P695 Y696 | L689-W693 PolarHBondContact O-N 3.35Å; L689-W693 VanDerWaalsContact O-N 3.12Å; S690-W693 PolarHBondContact O-N 3.3Å; W693-P695 VanDerWaalsContact C-CD 3.46Å; W693-Y696 PolarHBondContact O-N 3.35Å |
| 694 | T | 60 | Low | 71.4 | Confident | 75 Ų | 75 | 112.4 Ų | 112.4 | 46% | 0.46 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -56.7 | -39.9 | 178.7 | -4.5 | 0 | 0 | 0 | 0 | 113.9 | S690 Y696 | S690-T694 PolarHBondContact O-N 3.32Å; S690-T694 PolarHBondContact O-OG1 3.25Å; T694-Y696 VanDerWaalsContact C-N 3.25Å; T694-Y696 PolarHBondContact O-N 2.96Å |
| 695 | P | 50.7 | Low | 69.7 | Low | 68 Ų | 68 | 116.5 Ų | 116.5 | 44% | 0.442 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.1 | -21.4 | 176.6 | -20.9 | 31.9 | 0 | 0 | 0 | 114.5 | L691 W693 | L691-P695 WeakPolarHBondContact O-CD 3.24Å; W693-P695 VanDerWaalsContact C-CD 3.46Å |
| 696 | Y | 46.7 | Very low | 67.8 | Low | 154 Ų | 154 | 119.6 Ų | 119.6 | 60% | 0.604 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -86.4 | -16 | -177.3 | -93 | -83.9 | 0 | 0 | 0 | 113.9 | W693 T694 | W693-Y696 PolarHBondContact O-N 3.35Å; T694-Y696 VanDerWaalsContact C-N 3.25Å; T694-Y696 PolarHBondContact O-N 2.96Å |
| 697 | Q | 42.8 | Very low | 65.8 | Low | 165 Ų | 165 | 123.7 Ų | 123.7 | 77% | 0.771 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -91 | -19.6 | 173.7 | -74.4 | -174.3 | -31.1 | 0 | 0 | 113.4 | ||
| 698 | N | 44.2 | Very low | 63.5 | Low | 148 Ų | 148 | 129.2 Ų | 129.2 | 79% | 0.791 | 61% | 0.606 | S | S | * | * | trans | -96.3 | 8.7 | 176.4 | -73.9 | -26.2 | 0 | 0 | 0 | 113.2 | ||||
| 699 | R | 33.6 | Very low | 60.8 | Low | 255 Ų | 255 | 132 Ų | 132 | 96% | 0.962 | 62% | 0.62 | S | S | * | * | trans | -113.1 | 0 | 166.7 | -72.7 | -177.2 | -174.9 | -168.6 | 2.5 | 108.2 |
Retrieved 699 of 699 residues in 1532.7 ms
(Link to these results)