| 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 | 57.3 | Low | 90.7 | Very high | 244 Ų | 244 | 92.4 Ų | 92.4 | 100% | 1.202 | 45% | 0.454 | S | S | * | . | 0 | 140.3 | 0 | -85 | 176.2 | 170.7 | 0 | 0 | 108 | |||||
| 2 | D | 80.8 | Confident | 91 | Very high | 143 Ų | 143 | 98 Ų | 98 | 77% | 0.765 | 48% | 0.478 | S | S | * | . | trans | -68.8 | 145.1 | 177 | -65.1 | -32.5 | 0 | 0 | 0 | 110.6 | R4 | D2-R4 WeakPolarHBondContact O-CG 3.46Å; D2-R4 PolarHBondContact O-N 2.6Å | ||
| 3 | Y | 90.3 | Very high | 91.6 | Very high | 83 Ų | 83 | 93.9 Ų | 93.9 | 33% | 0.325 | 46% | 0.456 | S | S | . | . | trans | -62.5 | 124.4 | 175.3 | -178.5 | -94.1 | 0 | 0 | 0 | 111 | G5 V7 R8 E274 | Y3-G5 WeakPolarHBondContact CE1-O 3.45Å; Y3-V7 VanDerWaalsContact CE1-O 3.26Å; Y3-V7 WeakPolarHBondContact CE1-O 3.46Å; Y3-V7 PolarHBondContact OH-O 3.4Å; Y3-R8 HydrophobicContact CD1-CG 3.88Å; Y3-R8 HydrophobicContact CE1-CG 3.65Å; Y3-R8 PolarHBondContact O-NH2 3.1Å; Y3-E274 WeakPolarHBondContact OH-CA 3.24Å; Y3-E274 VanDerWaalsContact OH-CB 3.3Å; Y3-E274 WeakPolarHBondContact OH-CB 3.2Å; Y3-E274 PolarHBondContact OH-O 3.37Å | ||
| 4 | R | 96 | Very high | 92 | Very high | 98 Ų | 98 | 93.3 Ų | 93.3 | 37% | 0.37 | 46% | 0.456 | S | S | . | . | trans | -105.3 | 3.5 | -173.9 | -57 | -60.3 | -68 | 165 | -0.1 | 114.7 | D2 V275 D276 M277 L278 D279 | D2-R4 WeakPolarHBondContact O-CG 3.46Å; D2-R4 PolarHBondContact O-N 2.6Å; R4-V275 CarbonylContact C-O 3.46Å; R4-D276 CarbonylContact O-C 3.4Å; R4-M277 PolarHBondContact O-N 3.21Å; R4-L278 VanDerWaalsContact O-CB 3.28Å; R4-L278 WeakPolarHBondContact O-CB 3.26Å; R4-L278 VanDerWaalsContact O-CG 3.27Å; R4-L278 WeakPolarHBondContact O-CG 3.33Å; R4-L278 PolarHBondContact O-N 3.17Å; R4-D279 VanDerWaalsContact CB-OD2 3.29Å; R4-D279 WeakPolarHBondContact CB-OD2 3.43Å; R4-D279 VanDerWaalsContact CG-OD2 3.24Å; R4-D279 WeakPolarHBondContact CG-OD2 3.46Å; R4-D279 IonicContact CZ-OD1 3.13Å; R4-D279 VanDerWaalsContact NE-CG 3.34Å; R4-D279 IonicContact NE-OD1 3.19Å; R4-D279 PolarHBondContact NE-OD1 2.65Å; R4-D279 IonicContact NE-OD2 2.75Å; R4-D279 PolarHBondContact NE-OD2 3.27Å; R4-D279 VanDerWaalsContact NE-OD2 3.09Å; R4-D279 IonicContact NH2-OD1 3.94Å; R4-D279 PolarHBondContact NH2-OD1 3.45Å | ||
| 5 | G | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 88.3 Ų | 88.3 | 0% | 0 | 44% | 0.436 | C | S | . | . | trans | -71.3 | 150.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y3 S273 V275 | Y3-G5 WeakPolarHBondContact CE1-O 3.45Å; G5-S273 CarbonylContact C-O 3.57Å; G5-S273 VanDerWaalsContact CA-O 3.3Å; G5-S273 WeakPolarHBondContact CA-O 3.41Å; G5-V275 PolarHBondContact N-O 3.37Å | ||
| 6 | S | 97.3 | Very high | 92.9 | Very high | 24 Ų | 24 | 91.7 Ų | 91.7 | 17% | 0.168 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -81.2 | -39.7 | 172.7 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | S273 M277 L311 | S6-S273 PolarHBondContact N-O 3.15Å; S6-S273 PolarHBondContact OG-O 3.17Å; S6-S273 VanDerWaalsContact OG-O 3.06Å; S6-M277 WeakPolarHBondContact OG-CB 3.28Å; S6-M277 WeakPolarHBondContact OG-CG 3.49Å; S6-L311 VanDerWaalsContact CB-O 3.29Å; S6-L311 WeakPolarHBondContact CB-O 3.31Å; S6-L311 PolarHBondContact OG-O 3.01Å |
| 7 | V | 96.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 92.1 Ų | 92.1 | 4% | 0.036 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -85.6 | 131.8 | 174.9 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | Y3 S273 E274 L311 | Y3-V7 VanDerWaalsContact CE1-O 3.26Å; Y3-V7 WeakPolarHBondContact CE1-O 3.46Å; Y3-V7 PolarHBondContact OH-O 3.4Å; V7-S273 PolarHBondContact N-O 2.89Å; V7-E274 HydrophobicContact CB-CG 3.87Å; V7-E274 HydrophobicContact CG1-CG 4.07Å; V7-L311 HydrophobicContact CG2-CD2 3.73Å |
| 8 | R | 95.4 | Very high | 93.5 | Very high | 127 Ų | 127 | 87.2 Ų | 87.2 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | trans | -124.2 | 153.9 | -179.3 | -67.7 | 177 | -175.9 | -99.4 | -8.3 | 110.5 | Y3 F10 | Y3-R8 HydrophobicContact CD1-CG 3.88Å; Y3-R8 HydrophobicContact CE1-CG 3.65Å; Y3-R8 PolarHBondContact O-NH2 3.1Å; R8-F10 PolarHBondContact O-N 3.32Å | ||
| 9 | P | 96.2 | Very high | 93.8 | Very high | 78 Ų | 78 | 82.6 Ų | 82.6 | 51% | 0.506 | 40% | 0.402 | S | S | . | . | trans | -54 | 126.3 | 169.2 | -24.3 | 33.9 | 0 | 0 | 0 | 110.6 | V11 | P9-V11 PolarHBondContact O-N 3.18Š| ||
| 10 | F | 96.3 | Very high | 94 | Very high | 88 Ų | 88 | 82.7 Ų | 82.7 | 39% | 0.386 | 40% | 0.401 | S | S | . | . | trans | -69 | 126.5 | 177.4 | -170.3 | -97.3 | 0 | 0 | 0 | 110.1 | R8 H12 F13 R43 Q47 | R8-F10 PolarHBondContact O-N 3.32Å; F10-H12 HydrophobicContact CE1-CB 4.27Å; F10-F13 HydrophobicContact CD1-CB 4.4Å; F10-F13 VanDerWaalsContact O-CB 3.32Å; F10-F13 WeakPolarHBondContact O-CB 3.38Å; F10-R43 VanDerWaalsContact CD2-NH1 3.31Å; F10-Q47 VanDerWaalsContact N-NE2 3.14Å; F10-Q47 PolarHBondContact O-NE2 3.04Å | ||
| 11 | V | 94.6 | Very high | 94.2 | Very high | 125 Ų | 125 | 81 Ų | 81 | 76% | 0.758 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -45.1 | -167.1 | 177.5 | 0 | 0 | 0 | 0 | 112.7 | P9 F13 | P9-V11 PolarHBondContact O-N 3.18Å; V11-F13 VanDerWaalsContact C-N 3.32Å; V11-F13 PolarHBondContact O-N 3.4Å |
| 12 | H | 94.1 | Very high | 96.2 | Very high | 160 Ų | 160 | 69.4 Ų | 69.4 | 74% | 0.741 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 46.9 | -178.4 | -60.6 | -57.8 | 0 | 0 | 0 | 111.5 | F10 | F10-H12 HydrophobicContact CE1-CB 4.27Š|
| 13 | F | 98.1 | Very high | 97 | Very high | 45 Ų | 45 | 64.8 Ų | 64.8 | 20% | 0.197 | 31% | 0.311 | C | S | . | . | trans | -67.9 | 132.9 | -173.2 | 173.3 | -114.8 | 0 | 0 | 0 | 113.1 | F10 V11 A15 D18 Q47 Q50 I51 | F10-F13 HydrophobicContact CD1-CB 4.4Å; F10-F13 VanDerWaalsContact O-CB 3.32Å; F10-F13 WeakPolarHBondContact O-CB 3.38Å; V11-F13 VanDerWaalsContact C-N 3.32Å; V11-F13 PolarHBondContact O-N 3.4Å; F13-A15 HydrophobicContact CE1-CB 3.88Å; F13-A15 HydrophobicContact CE2-CB 4.31Å; F13-A15 HydrophobicContact CZ-CB 3.51Å; F13-D18 WeakPolarHBondContact CD2-OD2 3.49Å; F13-D18 WeakPolarHBondContact CE2-OD2 3.35Å; F13-Q47 VanDerWaalsContact CB-NE2 3.3Å; F13-Q47 HydrophobicContact CD1-CB 4.43Å; F13-Q47 HydrophobicContact CD1-CG 3.82Å; F13-Q47 HydrophobicContact CD2-CB 4.09Å; F13-Q47 HydrophobicContact CD2-CG 4.04Å; F13-Q47 HydrophobicContact CE1-CB 4.12Å; F13-Q47 HydrophobicContact CE1-CG 3.92Å; F13-Q47 HydrophobicContact CE2-CB 3.77Å; F13-Q47 HydrophobicContact CE2-CG 4.14Å; F13-Q47 HydrophobicContact CG-CB 4.4Å; F13-Q47 HydrophobicContact CG-CG 3.87Å; F13-Q47 HydrophobicContact CZ-CB 3.76Å; F13-Q47 HydrophobicContact CZ-CG 4.07Å; F13-Q47 WeakPolarHBondContact CZ-O 3.5Å; F13-Q50 HydrophobicContact CE1-CB 3.89Å; F13-Q50 HydrophobicContact CE1-CG 4.47Å; F13-Q50 HydrophobicContact CZ-CB 3.88Å; F13-I51 HydrophobicContact CE2-CD1 3.95Å; F13-I51 HydrophobicContact CE2-CG1 3.72Å; F13-I51 HydrophobicContact CZ-CG1 3.88Å | ||
| 14 | N | 98.4 | Very high | 97.3 | Very high | 85 Ų | 85 | 67.9 Ų | 67.9 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | trans | -137.5 | 100.6 | 172 | -178.5 | -22 | 0 | 0 | 0 | 109.8 | K16 H17 D18 | N14-K16 PolarHBondContact O-N 2.95Å; N14-K16 WeakPolarHBondContact OD1-CB 3.35Å; N14-K16 PolarHBondContact OD1-N 3.17Å; N14-H17 HydrophobicContact CB-CB 3.93Å; N14-H17 PolarHBondContact O-N 3.07Å; N14-H17 VanDerWaalsContact O-N 3.11Å; N14-H17 PolarHBondContact OD1-N 3.08Å; N14-H17 VanDerWaalsContact OD1-N 3.13Å; N14-D18 PolarHBondContact O-N 3.05Å | ||
| 15 | A | 98.5 | Very high | 97.4 | Very high | 18 Ų | 18 | 63.6 Ų | 63.6 | 15% | 0.149 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.1 | -34.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | F13 A19 Q50 A54 | F13-A15 HydrophobicContact CE1-CB 3.88Å; F13-A15 HydrophobicContact CE2-CB 4.31Å; F13-A15 HydrophobicContact CZ-CB 3.51Å; A15-A19 VanDerWaalsContact O-CB 3.25Å; A15-A19 WeakPolarHBondContact O-CB 3.28Å; A15-A19 PolarHBondContact O-N 3.38Å; A15-Q50 HydrophobicContact CB-CB 4.07Å; A15-A54 HydrophobicContact CB-CB 3.89Å; A15-A54 WeakPolarHBondContact O-CB 3.46Å |
| 16 | K | 98.6 | Very high | 97.4 | Very high | 143 Ų | 143 | 64.4 Ų | 64.4 | 62% | 0.622 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.7 | -43.7 | 179 | -65.4 | 179.8 | -177.8 | 174.9 | 0 | 110.9 | N14 A19 E20 | N14-K16 PolarHBondContact O-N 2.95Å; N14-K16 WeakPolarHBondContact OD1-CB 3.35Å; N14-K16 PolarHBondContact OD1-N 3.17Å; K16-A19 PolarHBondContact O-N 2.81Å; K16-E20 WeakPolarHBondContact O-CG 3.27Å; K16-E20 PolarHBondContact O-N 3.29Å |
| 17 | H | 98.4 | Very high | 97.2 | Very high | 98 Ų | 98 | 70.7 Ų | 70.7 | 45% | 0.454 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 178.1 | -176 | 57.5 | 0 | 0 | 0 | 111.5 | N14 A19 E20 I21 | N14-H17 HydrophobicContact CB-CB 3.93Å; N14-H17 PolarHBondContact O-N 3.07Å; N14-H17 VanDerWaalsContact O-N 3.11Å; N14-H17 PolarHBondContact OD1-N 3.08Å; N14-H17 VanDerWaalsContact OD1-N 3.13Å; H17-A19 VanDerWaalsContact C-N 3.32Å; H17-A19 PolarHBondContact O-N 2.8Å; H17-E20 WeakPolarHBondContact O-CB 3.34Å; H17-E20 PolarHBondContact O-N 3.22Å; H17-E20 VanDerWaalsContact O-N 3.12Å; H17-I21 WeakPolarHBondContact O-CG1 3.46Å; H17-I21 PolarHBondContact O-N 3.4Å |
| 18 | D | 98.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 73.6 Ų | 73.6 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 175.9 | -72.2 | -22.1 | 0 | 0 | 0 | 111.5 | F13 N14 E20 I21 L22 V39 R43 I51 | F13-D18 WeakPolarHBondContact CD2-OD2 3.49Å; F13-D18 WeakPolarHBondContact CE2-OD2 3.35Å; N14-D18 PolarHBondContact O-N 3.05Å; D18-E20 VanDerWaalsContact C-N 3.31Å; D18-E20 PolarHBondContact O-N 3.35Å; D18-I21 PolarHBondContact O-N 3.47Å; D18-L22 WeakPolarHBondContact O-CG 3.38Å; D18-L22 PolarHBondContact O-N 3.01Å; D18-V39 HydrophobicContact CB-CG1 3.92Å; D18-R43 IonicContact OD1-CZ 2.78Å; D18-R43 IonicContact OD1-NE 2.7Å; D18-R43 IonicContact OD1-NH2 3.74Å; D18-R43 PolarHBondContact OD1-NH2 3.08Å; D18-R43 IonicContact OD2-CZ 2.87Å; D18-R43 IonicContact OD2-NE 3.63Å; D18-R43 PolarHBondContact OD2-NE 2.94Å; D18-R43 IonicContact OD2-NH2 2.69Å; D18-R43 PolarHBondContact OD2-NH2 3.49Å; D18-I51 HydrophobicContact CB-CD1 3.72Å; D18-I51 HydrophobicContact CB-CG1 3.79Å; D18-I51 HydrophobicContact CB-CG2 4.34Å |
| 19 | A | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.008 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.5 | -37 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A15 K16 H17 H23 I51 A54 Y55 | A15-A19 VanDerWaalsContact O-CB 3.25Å; A15-A19 WeakPolarHBondContact O-CB 3.28Å; A15-A19 PolarHBondContact O-N 3.38Å; K16-A19 PolarHBondContact O-N 2.81Å; H17-A19 VanDerWaalsContact C-N 3.32Å; H17-A19 PolarHBondContact O-N 2.8Å; A19-H23 WeakPolarHBondContact O-CB 3.19Å; A19-H23 PolarHBondContact O-N 3.23Å; A19-I51 HydrophobicContact CB-CG2 4.38Å; A19-A54 HydrophobicContact CB-CB 4.18Å; A19-Y55 HydrophobicContact CB-CD2 4.1Å |
| 20 | E | 98.4 | Very high | 96.3 | Very high | 83 Ų | 83 | 75.2 Ų | 75.2 | 39% | 0.388 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 174.3 | -74.5 | 168.2 | -166 | 0 | 0 | 112.8 | K16 H17 D18 H23 K24 Y59 | K16-E20 WeakPolarHBondContact O-CG 3.27Å; K16-E20 PolarHBondContact O-N 3.29Å; H17-E20 WeakPolarHBondContact O-CB 3.34Å; H17-E20 PolarHBondContact O-N 3.22Å; H17-E20 VanDerWaalsContact O-N 3.12Å; D18-E20 VanDerWaalsContact C-N 3.31Å; D18-E20 PolarHBondContact O-N 3.35Å; E20-H23 PolarHBondContact O-N 3.24Å; E20-K24 VanDerWaalsContact O-CG 3.32Å; E20-K24 WeakPolarHBondContact O-CG 3.24Å; E20-K24 PolarHBondContact O-N 2.99Å; E20-K24 VanDerWaalsContact O-N 3.07Å; E20-Y59 WeakPolarHBondContact CA-OH 3.26Å; E20-Y59 VanDerWaalsContact CG-OH 3.31Å; E20-Y59 WeakPolarHBondContact CG-OH 3.49Å |
| 21 | I | 98.4 | Very high | 96.3 | Very high | 49 Ų | 49 | 72.4 Ų | 72.4 | 25% | 0.251 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.8 | -55.1 | 173.9 | -66.9 | 167.8 | 0 | 0 | 0 | 108.9 | H17 D18 H23 K24 S25 V39 | H17-I21 WeakPolarHBondContact O-CG1 3.46Å; H17-I21 PolarHBondContact O-N 3.4Å; D18-I21 PolarHBondContact O-N 3.47Å; I21-H23 VanDerWaalsContact C-N 3.29Å; I21-H23 PolarHBondContact O-N 3.27Å; I21-K24 PolarHBondContact O-N 3.35Å; I21-S25 PolarHBondContact O-N 2.86Å; I21-S25 PolarHBondContact O-OG 2.75Å; I21-V39 HydrophobicContact CB-CG2 4.28Å; I21-V39 HydrophobicContact CD1-CG2 4.35Å; I21-V39 HydrophobicContact CG2-CG2 3.74Å |
| 22 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.6 | -41.2 | -179.5 | -67.5 | 174.1 | 0 | 0 | 0 | 112.1 | D18 K24 S25 M26 I36 V39 L40 I51 L63 | D18-L22 WeakPolarHBondContact O-CG 3.38Å; D18-L22 PolarHBondContact O-N 3.01Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 3.42Å; L22-S25 PolarHBondContact O-N 3.06Å; L22-M26 HydrophobicContact CB-CE 4.21Å; L22-M26 WeakPolarHBondContact O-CE 3.12Å; L22-M26 WeakPolarHBondContact O-CG 3.21Å; L22-M26 PolarHBondContact O-N 2.85Å; L22-I36 HydrophobicContact CD2-CB 4.27Å; L22-I36 HydrophobicContact CD2-CG1 4.05Å; L22-I36 HydrophobicContact CD2-CG2 4.29Å; L22-V39 HydrophobicContact CD1-CG1 4.25Å; L22-V39 HydrophobicContact CD2-CB 4.13Å; L22-V39 HydrophobicContact CD2-CG1 4.22Å; L22-V39 HydrophobicContact CG-CG1 4.17Å; L22-L40 HydrophobicContact CD1-CD2 3.92Å; L22-L40 HydrophobicContact CD1-CG 4.45Å; L22-L40 HydrophobicContact CD2-CD1 4.41Å; L22-L40 HydrophobicContact CD2-CG 4.21Å; L22-I51 HydrophobicContact CD1-CG2 3.6Å; L22-L63 HydrophobicContact CB-CD1 4.43Å; L22-L63 HydrophobicContact CD1-CD1 4.13Å; L22-L63 HydrophobicContact CD1-CD2 3.88Å |
| 23 | H | 98.1 | Very high | 96.5 | Very high | 46 Ų | 46 | 65.7 Ų | 65.7 | 21% | 0.213 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176.6 | -175.5 | 63 | 0 | 0 | 0 | 112.5 | A19 E20 I21 M26 K27 Y55 Y59 | A19-H23 WeakPolarHBondContact O-CB 3.19Å; A19-H23 PolarHBondContact O-N 3.23Å; E20-H23 PolarHBondContact O-N 3.24Å; I21-H23 VanDerWaalsContact C-N 3.29Å; I21-H23 PolarHBondContact O-N 3.27Å; H23-M26 PolarHBondContact O-N 3.04Å; H23-K27 WeakPolarHBondContact O-CB 3.35Å; H23-K27 PolarHBondContact O-N 3.04Å; H23-Y55 HydrophobicContact CB-CE2 3.73Å; H23-Y55 PolarHBondContact ND1-OH 3.08Å; H23-Y59 HydrophobicContact CB-CD2 4.15Å; H23-Y59 HydrophobicContact CB-CE1 4.14Å; H23-Y59 HydrophobicContact CB-CE2 3.55Å; H23-Y59 AromaticContact CD2-CD1 3.99Å; H23-Y59 AromaticContact CD2-CE1 3.5Å; H23-Y59 AromaticContact CD2-CZ 3.8Å; H23-Y59 AromaticContact CE1-CD1 3.98Å; H23-Y59 AromaticContact CG-CD1 3.93Å; H23-Y59 AromaticContact CG-CE1 3.63Å; H23-Y59 AromaticContact CG-CE2 3.85Å; H23-Y59 AromaticContact CG-CZ 3.58Å; H23-Y59 AromaticContact ND1-CD1 3.93Å; H23-Y59 AromaticContact ND1-CG 3.98Å; H23-Y59 AromaticContact NE2-CE1 3.93Å |
| 24 | K | 98 | Very high | 96.3 | Very high | 147 Ų | 147 | 67.2 Ų | 67.2 | 64% | 0.639 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -68.1 | -40.2 | 177.9 | -72.1 | 172.1 | -176 | 173.7 | 0 | 111.6 | E20 I21 L22 M26 K27 | E20-K24 VanDerWaalsContact O-CG 3.32Å; E20-K24 WeakPolarHBondContact O-CG 3.24Å; E20-K24 PolarHBondContact O-N 2.99Å; E20-K24 VanDerWaalsContact O-N 3.07Å; I21-K24 PolarHBondContact O-N 3.35Å; L22-K24 VanDerWaalsContact C-N 3.34Å; L22-K24 PolarHBondContact O-N 3.42Å; K24-M26 PolarHBondContact O-N 2.98Å; K24-K27 PolarHBondContact O-N 2.87Å; K24-K27 VanDerWaalsContact O-N 3.14Å |
| 25 | S | 97.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 64.2 Ų | 64.2 | 6% | 0.063 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.2 | -22.2 | 178.3 | -58.3 | 0 | 0 | 0 | 0 | 113.6 | I21 L22 T31 D32 A35 | I21-S25 PolarHBondContact O-N 2.86Å; I21-S25 PolarHBondContact O-OG 2.75Å; L22-S25 PolarHBondContact O-N 3.06Å; S25-T31 WeakPolarHBondContact O-CA 3.37Å; S25-D32 PolarHBondContact O-N 2.77Å; S25-A35 WeakPolarHBondContact OG-CB 3.32Å |
| 26 | M | 97.1 | Very high | 96.2 | Very high | 17 Ų | 17 | 63.3 Ų | 63.3 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 11 | 178.9 | -67.5 | -174.3 | -71.3 | 0 | 0 | 113 | L22 H23 K24 I36 Y55 L63 A66 L67 E70 | L22-M26 HydrophobicContact CB-CE 4.21Å; L22-M26 WeakPolarHBondContact O-CE 3.12Å; L22-M26 WeakPolarHBondContact O-CG 3.21Å; L22-M26 PolarHBondContact O-N 2.85Å; H23-M26 PolarHBondContact O-N 3.04Å; K24-M26 PolarHBondContact O-N 2.98Å; M26-I36 HydrophobicContact CG-CD1 3.91Å; M26-Y55 HydrophobicContact CE-CE2 3.89Å; M26-Y55 WeakPolarHBondContact CE-OH 3.01Å; M26-L63 HydrophobicContact CE-CD1 3.86Å; M26-A66 HydrophobicContact CE-CB 4.14Å; M26-A66 HydrophobicContact SD-CB 4.07Å; M26-L67 HydrophobicContact CE-CD2 4.48Å; M26-L67 HydrophobicContact SD-CD2 3.86Å; M26-L67 HydrophobicContact SD-CG 4.21Å; M26-E70 HydrophobicContact CB-CG 3.83Å; M26-E70 HydrophobicContact CG-CB 4.2Å; M26-E70 HydrophobicContact CG-CG 3.76Å; M26-E70 HydrophobicContact SD-CB 4.46Å; M26-E70 HydrophobicContact SD-CG 3.95Å |
| 27 | K | 93.7 | Very high | 96 | Very high | 156 Ų | 156 | 56.6 Ų | 56.6 | 68% | 0.678 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -108.6 | 123.1 | -173.9 | -175.7 | -176.2 | 178.1 | -175.8 | 0 | 111.3 | H23 K24 | H23-K27 WeakPolarHBondContact O-CB 3.35Å; H23-K27 PolarHBondContact O-N 3.04Å; K24-K27 PolarHBondContact O-N 2.87Å; K24-K27 VanDerWaalsContact O-N 3.14Å |
| 28 | G | 90.8 | Very high | 95.7 | Very high | 66 Ų | 66 | 56 Ų | 56 | 68% | 0.68 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 115.8 | -149.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 29 | I | 87.6 | Confident | 95.6 | Very high | 188 Ų | 188 | 56.2 Ų | 56.2 | 96% | 0.964 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -93.7 | 122.4 | 173.2 | -63.7 | 173.4 | 0 | 0 | 0 | 107.2 | ||
| 30 | G | 90.6 | Very high | 95.6 | Very high | 52 Ų | 52 | 56.2 Ų | 56.2 | 54% | 0.536 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 85.8 | 173.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 31 | T | 95.6 | Very high | 95.3 | Very high | 28 Ų | 28 | 52.4 Ų | 52.4 | 17% | 0.172 | 29% | 0.291 | C | S | . | . | trans | -124 | 148.6 | -178.2 | -52.1 | 0 | 0 | 0 | 0 | 108.6 | S25 E33 I36 E70 L71 | S25-T31 WeakPolarHBondContact O-CA 3.37Å; T31-E33 HydrophobicContact CG2-CG 4.36Å; T31-I36 HydrophobicContact CG2-CD1 3.51Å; T31-E70 HydrophobicContact CG2-CB 3.99Å; T31-E70 PolarHBondContact OG1-O 3.44Å; T31-E70 PolarHBondContact OG1-OE2 3.35Å; T31-L71 HydrophobicContact CG2-CD2 4.07Å | ||
| 32 | D | 96.9 | Very high | 95 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | trans | -99.5 | 82.5 | 168.8 | -177.3 | -11.3 | 0 | 0 | 0 | 108.6 | S25 D34 A35 I36 | S25-D32 PolarHBondContact O-N 2.77Å; D32-D34 VanDerWaalsContact C-N 3.28Å; D32-D34 PolarHBondContact O-N 2.77Å; D32-A35 HydrophobicContact CB-CB 4.22Å; D32-A35 VanDerWaalsContact CG-CB 3.4Å; D32-A35 PolarHBondContact O-N 2.78Å; D32-A35 WeakPolarHBondContact OD1-CB 3.43Å; D32-A35 PolarHBondContact OD1-N 2.58Å; D32-A35 WeakPolarHBondContact OD2-CB 3.27Å; D32-I36 WeakPolarHBondContact O-CG1 3.35Å; D32-I36 PolarHBondContact O-N 3Å | ||
| 33 | E | 96.1 | Very high | 94.9 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 30% | 0.304 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.4 | -35.7 | -177.4 | -65.8 | 86.2 | 174.3 | 0 | 0 | 112 | T31 I36 L37 L71 F75 D303 | T31-E33 HydrophobicContact CG2-CG 4.36Å; E33-I36 PolarHBondContact O-N 3.34Å; E33-L37 WeakPolarHBondContact O-CB 3.48Å; E33-L37 PolarHBondContact O-N 2.87Å; E33-L71 HydrophobicContact CG-CD2 3.94Å; E33-F75 HydrophobicContact CB-CD1 4.46Å; E33-F75 HydrophobicContact CB-CE1 3.7Å; E33-F75 HydrophobicContact CB-CZ 4.31Å; E33-F75 HydrophobicContact CG-CD1 4.3Å; E33-F75 HydrophobicContact CG-CE1 3.87Å; E33-D303 HydrophobicContact CB-CB 4.49Å |
| 34 | D | 94.8 | Very high | 94.9 | Very high | 78 Ų | 78 | 50.8 Ų | 50.8 | 42% | 0.417 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.5 | -46 | 177.9 | -82.1 | -32.4 | 0 | 0 | 0 | 110.8 | D32 I36 L37 M38 K306 | D32-D34 VanDerWaalsContact C-N 3.28Å; D32-D34 PolarHBondContact O-N 2.77Å; D34-I36 PolarHBondContact O-N 2.71Å; D34-L37 PolarHBondContact O-N 3.08Å; D34-M38 WeakPolarHBondContact O-CB 3.5Å; D34-M38 WeakPolarHBondContact O-CG 3.22Å; D34-M38 PolarHBondContact O-N 3.02Å; D34-K306 IonicContact OD1-NZ 3.96Å; D34-K306 PolarHBondContact OD1-NZ 2.69Å; D34-K306 IonicContact OD2-NZ 2.81Å |
| 35 | A | 96.4 | Very high | 95 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 17% | 0.174 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S25 D32 M38 V39 | S25-A35 WeakPolarHBondContact OG-CB 3.32Å; D32-A35 HydrophobicContact CB-CB 4.22Å; D32-A35 VanDerWaalsContact CG-CB 3.4Å; D32-A35 PolarHBondContact O-N 2.78Å; D32-A35 WeakPolarHBondContact OD1-CB 3.43Å; D32-A35 PolarHBondContact OD1-N 2.58Å; D32-A35 WeakPolarHBondContact OD2-CB 3.27Å; A35-M38 PolarHBondContact O-N 3.32Å; A35-V39 WeakPolarHBondContact O-CG2 3.41Å; A35-V39 PolarHBondContact O-N 3.5Å |
| 36 | I | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 176.3 | -68.6 | 168.9 | 0 | 0 | 0 | 110.3 | L22 M26 T31 D32 E33 D34 V39 L40 L67 L71 I79 | L22-I36 HydrophobicContact CD2-CB 4.27Å; L22-I36 HydrophobicContact CD2-CG1 4.05Å; L22-I36 HydrophobicContact CD2-CG2 4.29Å; M26-I36 HydrophobicContact CG-CD1 3.91Å; T31-I36 HydrophobicContact CG2-CD1 3.51Å; D32-I36 WeakPolarHBondContact O-CG1 3.35Å; D32-I36 PolarHBondContact O-N 3Å; E33-I36 PolarHBondContact O-N 3.34Å; D34-I36 PolarHBondContact O-N 2.71Å; I36-V39 PolarHBondContact O-N 3.38Å; I36-L40 HydrophobicContact CG2-CD1 3.9Å; I36-L40 WeakPolarHBondContact O-CB 3.27Å; I36-L40 WeakPolarHBondContact O-CG 3.1Å; I36-L40 PolarHBondContact O-N 3.41Å; I36-L67 HydrophobicContact CD1-CD2 4.17Å; I36-L67 HydrophobicContact CG1-CD2 4.41Å; I36-L67 HydrophobicContact CG2-CD2 3.67Å; I36-L71 HydrophobicContact CD1-CD2 4.07Å; I36-L71 HydrophobicContact CG2-CD1 4.38Å; I36-I79 HydrophobicContact CG2-CD1 4.48Å |
| 37 | L | 95 | Very high | 95.1 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.4 | -51.2 | 177.3 | 173.9 | 155.9 | 0 | 0 | 0 | 111.3 | E33 D34 V39 L40 S41 F75 D303 K306 A307 Y310 | E33-L37 WeakPolarHBondContact O-CB 3.48Å; E33-L37 PolarHBondContact O-N 2.87Å; D34-L37 PolarHBondContact O-N 3.08Å; L37-V39 VanDerWaalsContact C-N 3.3Å; L37-V39 PolarHBondContact O-N 3.45Å; L37-L40 PolarHBondContact O-N 2.95Å; L37-S41 VanDerWaalsContact O-CB 3.27Å; L37-S41 WeakPolarHBondContact O-CB 3.32Å; L37-S41 PolarHBondContact O-N 3.13Å; L37-S41 PolarHBondContact O-OG 2.75Å; L37-F75 HydrophobicContact CB-CE2 4.13Å; L37-F75 HydrophobicContact CB-CZ 3.95Å; L37-F75 HydrophobicContact CD1-CE2 4.03Å; L37-F75 HydrophobicContact CD1-CZ 4.47Å; L37-F75 HydrophobicContact CG-CE2 4.48Å; L37-D303 WeakPolarHBondContact CD1-O 3.47Å; L37-K306 HydrophobicContact CD1-CB 3.52Å; L37-K306 HydrophobicContact CD1-CD 4.46Å; L37-A307 HydrophobicContact CD1-CB 3.72Å; L37-A307 HydrophobicContact CG-CB 4.11Å; L37-Y310 HydrophobicContact CD2-CD2 3.53Å; L37-Y310 HydrophobicContact CD2-CE2 3.6Å |
| 38 | M | 92.6 | Very high | 95.3 | Very high | 86 Ų | 86 | 41.8 Ų | 41.8 | 42% | 0.424 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.6 | -38.3 | -177.8 | -74.3 | -58.5 | -63.4 | 0 | 0 | 112.5 | D34 A35 A42 Y310 | D34-M38 WeakPolarHBondContact O-CB 3.5Å; D34-M38 WeakPolarHBondContact O-CG 3.22Å; D34-M38 PolarHBondContact O-N 3.02Å; A35-M38 PolarHBondContact O-N 3.32Å; M38-A42 VanDerWaalsContact O-CB 3.26Å; M38-A42 WeakPolarHBondContact O-CB 3.48Å; M38-Y310 HydrophobicContact CE-CE1 4.32Å; M38-Y310 WeakPolarHBondContact CE-OH 3.4Å; M38-Y310 HydrophobicContact SD-CE1 4.12Å; M38-Y310 HydrophobicContact SD-CE2 3.65Å; M38-Y310 PolarHBondContact SD-OH 3.23Å |
| 39 | V | 96.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 5% | 0.048 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.2 | -51.9 | 175.6 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | D18 I21 L22 A35 I36 L37 R43 I51 | D18-V39 HydrophobicContact CB-CG1 3.92Å; I21-V39 HydrophobicContact CB-CG2 4.28Å; I21-V39 HydrophobicContact CD1-CG2 4.35Å; I21-V39 HydrophobicContact CG2-CG2 3.74Å; L22-V39 HydrophobicContact CD1-CG1 4.25Å; L22-V39 HydrophobicContact CD2-CB 4.13Å; L22-V39 HydrophobicContact CD2-CG1 4.22Å; L22-V39 HydrophobicContact CG-CG1 4.17Å; A35-V39 WeakPolarHBondContact O-CG2 3.41Å; A35-V39 PolarHBondContact O-N 3.5Å; I36-V39 PolarHBondContact O-N 3.38Å; L37-V39 VanDerWaalsContact C-N 3.3Å; L37-V39 PolarHBondContact O-N 3.45Å; V39-R43 WeakPolarHBondContact O-CG 3.1Å; V39-I51 HydrophobicContact CG1-CD1 4.21Å |
| 40 | L | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -79.7 | -32 | -167.2 | -64.3 | -178.8 | 0 | 0 | 0 | 113.8 | L22 I36 L37 R48 L67 I79 M83 | L22-L40 HydrophobicContact CD1-CD2 3.92Å; L22-L40 HydrophobicContact CD1-CG 4.45Å; L22-L40 HydrophobicContact CD2-CD1 4.41Å; L22-L40 HydrophobicContact CD2-CG 4.21Å; I36-L40 HydrophobicContact CG2-CD1 3.9Å; I36-L40 WeakPolarHBondContact O-CB 3.27Å; I36-L40 WeakPolarHBondContact O-CG 3.1Å; I36-L40 PolarHBondContact O-N 3.41Å; L37-L40 PolarHBondContact O-N 2.95Å; L40-R48 HydrophobicContact CD2-CG 4.41Å; L40-R48 PolarHBondContact O-NE 3.23Å; L40-L67 HydrophobicContact CD1-CD1 3.83Å; L40-L67 HydrophobicContact CD1-CD2 4.27Å; L40-I79 HydrophobicContact CB-CD1 4.36Å; L40-I79 HydrophobicContact CD1-CD1 4.4Å; L40-I79 HydrophobicContact CD1-CG2 3.59Å; L40-M83 HydrophobicContact CD1-CG 4.33Å; L40-M83 HydrophobicContact CD1-SD 3.93Å; L40-M83 HydrophobicContact CD2-SD 3.54Å; L40-M83 VanDerWaalsContact CD2-SD 3.54Å; L40-M83 HydrophobicContact CG-SD 4.31Å |
| 41 | S | 92.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -75.4 | -22.9 | 176.7 | 64.9 | 0 | 0 | 0 | 0 | 113.3 | L37 | L37-S41 VanDerWaalsContact O-CB 3.27Å; L37-S41 WeakPolarHBondContact O-CB 3.32Å; L37-S41 PolarHBondContact O-N 3.13Å; L37-S41 PolarHBondContact O-OG 2.75Å |
| 42 | A | 91.9 | Very high | 96.8 | Very high | 36 Ų | 36 | 36.2 Ų | 36.2 | 30% | 0.298 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 19 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | M38 | M38-A42 VanDerWaalsContact O-CB 3.26Å; M38-A42 WeakPolarHBondContact O-CB 3.48Å |
| 43 | R | 97.7 | Very high | 96.9 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -124.6 | 141.2 | 175.8 | -63.7 | -69.5 | -179.6 | -72.4 | -8.9 | 108.7 | F10 D18 V39 Q47 R48 I51 | F10-R43 VanDerWaalsContact CD2-NH1 3.31Å; D18-R43 IonicContact OD1-CZ 2.78Å; D18-R43 IonicContact OD1-NE 2.7Å; D18-R43 IonicContact OD1-NH2 3.74Å; D18-R43 PolarHBondContact OD1-NH2 3.08Å; D18-R43 IonicContact OD2-CZ 2.87Å; D18-R43 IonicContact OD2-NE 3.63Å; D18-R43 PolarHBondContact OD2-NE 2.94Å; D18-R43 IonicContact OD2-NH2 2.69Å; D18-R43 PolarHBondContact OD2-NH2 3.49Å; V39-R43 WeakPolarHBondContact O-CG 3.1Å; R43-Q47 HydrophobicContact CB-CB 3.98Å; R43-R48 HydrophobicContact CB-CG 4.11Å; R43-R48 VanDerWaalsContact O-CZ 3.26Å; R43-R48 PolarHBondContact O-NE 2.65Å; R43-R48 VanDerWaalsContact O-NE 3.09Å; R43-R48 PolarHBondContact O-NH2 3.09Å; R43-I51 HydrophobicContact CB-CD1 4.46Å; R43-I51 HydrophobicContact CG-CD1 4.01Å |
| 44 | S | 98.3 | Very high | 97 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | trans | -64.2 | 159.3 | 170.6 | 63.5 | 0 | 0 | 0 | 0 | 110.5 | D46 Q47 R48 E274 | S44-D46 PolarHBondContact O-N 3.42Å; S44-Q47 WeakPolarHBondContact O-CA 3.26Å; S44-Q47 WeakPolarHBondContact O-CB 3.25Å; S44-Q47 PolarHBondContact O-N 2.88Å; S44-Q47 WeakPolarHBondContact OG-CG 3.2Å; S44-Q47 PolarHBondContact OG-N 3.45Å; S44-R48 WeakPolarHBondContact O-CG 3.38Å; S44-R48 PolarHBondContact O-N 2.85Å; S44-E274 WeakPolarHBondContact CA-OE1 3.35Å; S44-E274 WeakPolarHBondContact CB-OE2 3.39Å | ||
| 45 | N | 98.6 | Very high | 97.2 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.9 | -43 | 179.1 | -165.3 | -74.5 | 0 | 0 | 0 | 111.5 | Q47 R48 Q49 L82 T84 P85 P86 E274 | N45-Q47 VanDerWaalsContact C-N 3.27Å; N45-Q47 PolarHBondContact O-N 3.47Å; N45-R48 CarbonylContact O-C 3.4Å; N45-R48 WeakPolarHBondContact O-CA 3.18Å; N45-R48 WeakPolarHBondContact O-CB 3.45Å; N45-R48 PolarHBondContact O-N 3.4Å; N45-Q49 WeakPolarHBondContact O-CG 3.4Å; N45-Q49 PolarHBondContact O-N 3.45Å; N45-Q49 PolarHBondContact OD1-NE2 2.93Å; N45-L82 PolarHBondContact ND2-O 3.32Å; N45-T84 PolarHBondContact ND2-O 3.02Å; N45-P85 WeakPolarHBondContact OD1-CA 3.46Å; N45-P86 HydrophobicContact CB-CG 4.31Å; N45-E274 PolarHBondContact N-OE1 2.87Å; N45-E274 PolarHBondContact N-OE2 2.91Å |
| 46 | D | 98.5 | Very high | 97.3 | Very high | 115 Ų | 115 | 33.8 Ų | 33.8 | 62% | 0.615 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -56.6 | -40.3 | 175.2 | -76.3 | 12.9 | 0 | 0 | 0 | 112.7 | S44 Q49 Q50 | S44-D46 PolarHBondContact O-N 3.42Å; D46-Q49 PolarHBondContact O-N 2.77Å; D46-Q50 WeakPolarHBondContact O-CG 3.31Å; D46-Q50 PolarHBondContact O-N 2.9Å; D46-Q50 PolarHBondContact O-NE2 3.4Å |
| 47 | Q | 98.8 | Very high | 97.3 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.5 | -39.7 | 175.1 | -72.4 | 176.6 | -22.2 | 0 | 0 | 111.1 | F10 F13 R43 S44 N45 Q49 Q50 I51 | F10-Q47 VanDerWaalsContact N-NE2 3.14Å; F10-Q47 PolarHBondContact O-NE2 3.04Å; F13-Q47 VanDerWaalsContact CB-NE2 3.3Å; F13-Q47 HydrophobicContact CD1-CB 4.43Å; F13-Q47 HydrophobicContact CD1-CG 3.82Å; F13-Q47 HydrophobicContact CD2-CB 4.09Å; F13-Q47 HydrophobicContact CD2-CG 4.04Å; F13-Q47 HydrophobicContact CE1-CB 4.12Å; F13-Q47 HydrophobicContact CE1-CG 3.92Å; F13-Q47 HydrophobicContact CE2-CB 3.77Å; F13-Q47 HydrophobicContact CE2-CG 4.14Å; F13-Q47 HydrophobicContact CG-CB 4.4Å; F13-Q47 HydrophobicContact CG-CG 3.87Å; F13-Q47 HydrophobicContact CZ-CB 3.76Å; F13-Q47 HydrophobicContact CZ-CG 4.07Å; F13-Q47 WeakPolarHBondContact CZ-O 3.5Å; R43-Q47 HydrophobicContact CB-CB 3.98Å; S44-Q47 WeakPolarHBondContact O-CA 3.26Å; S44-Q47 WeakPolarHBondContact O-CB 3.25Å; S44-Q47 PolarHBondContact O-N 2.88Å; S44-Q47 WeakPolarHBondContact OG-CG 3.2Å; S44-Q47 PolarHBondContact OG-N 3.45Å; N45-Q47 VanDerWaalsContact C-N 3.27Å; N45-Q47 PolarHBondContact O-N 3.47Å; Q47-Q49 VanDerWaalsContact C-N 3.29Å; Q47-Q49 PolarHBondContact O-N 2.93Å; Q47-Q50 WeakPolarHBondContact O-CB 3.31Å; Q47-Q50 PolarHBondContact O-N 3.16Å; Q47-Q50 VanDerWaalsContact O-N 3.09Å; Q47-I51 VanDerWaalsContact O-CG1 3.3Å; Q47-I51 WeakPolarHBondContact O-CG1 3.32Å; Q47-I51 PolarHBondContact O-N 2.83Å |
| 48 | R | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.9 | -38 | 173.6 | -62.8 | 176.4 | -155.1 | 137.9 | 12.1 | 112 | L40 R43 S44 N45 Q50 I51 K52 L82 M83 E274 | L40-R48 HydrophobicContact CD2-CG 4.41Å; L40-R48 PolarHBondContact O-NE 3.23Å; R43-R48 HydrophobicContact CB-CG 4.11Å; R43-R48 VanDerWaalsContact O-CZ 3.26Å; R43-R48 PolarHBondContact O-NE 2.65Å; R43-R48 VanDerWaalsContact O-NE 3.09Å; R43-R48 PolarHBondContact O-NH2 3.09Å; S44-R48 WeakPolarHBondContact O-CG 3.38Å; S44-R48 PolarHBondContact O-N 2.85Å; N45-R48 CarbonylContact O-C 3.4Å; N45-R48 WeakPolarHBondContact O-CA 3.18Å; N45-R48 WeakPolarHBondContact O-CB 3.45Å; N45-R48 PolarHBondContact O-N 3.4Å; R48-Q50 VanDerWaalsContact C-N 3.34Å; R48-Q50 PolarHBondContact O-N 3.19Å; R48-I51 PolarHBondContact O-N 3.39Å; R48-K52 PolarHBondContact O-N 2.84Å; R48-L82 WeakPolarHBondContact CD-O 3.49Å; R48-L82 VanDerWaalsContact NH1-CD2 3.33Å; R48-L82 PolarHBondContact NH1-O 2.96Å; R48-M83 HydrophobicContact CB-CE 4.32Å; R48-M83 HydrophobicContact CB-SD 3.87Å; R48-M83 HydrophobicContact CG-SD 4.2Å; R48-E274 IonicContact NH2-OE1 3.68Å |
| 49 | Q | 98.8 | Very high | 97.7 | Very high | 51 Ų | 51 | 44.6 Ų | 44.6 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.2 | -39.4 | 174.1 | -58 | -41.1 | -51.8 | 0 | 0 | 111.9 | N45 D46 Q47 K52 A53 M83 P85 | N45-Q49 WeakPolarHBondContact O-CG 3.4Å; N45-Q49 PolarHBondContact O-N 3.45Å; N45-Q49 PolarHBondContact OD1-NE2 2.93Å; D46-Q49 PolarHBondContact O-N 2.77Å; Q47-Q49 VanDerWaalsContact C-N 3.29Å; Q47-Q49 PolarHBondContact O-N 2.93Å; Q49-K52 PolarHBondContact O-N 2.7Å; Q49-A53 PolarHBondContact O-N 3.27Å; Q49-A53 VanDerWaalsContact O-N 3.08Å; Q49-M83 PolarHBondContact NE2-O 3.33Å; Q49-P85 HydrophobicContact CG-CG 4.45Å |
| 50 | Q | 98.8 | Very high | 97.8 | Very high | 102 Ų | 102 | 46.6 Ų | 46.6 | 48% | 0.477 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 174.7 | -69.2 | 174.3 | 66.3 | 0 | 0 | 112.3 | F13 A15 D46 Q47 R48 A53 A54 | F13-Q50 HydrophobicContact CE1-CB 3.89Å; F13-Q50 HydrophobicContact CE1-CG 4.47Å; F13-Q50 HydrophobicContact CZ-CB 3.88Å; A15-Q50 HydrophobicContact CB-CB 4.07Å; D46-Q50 WeakPolarHBondContact O-CG 3.31Å; D46-Q50 PolarHBondContact O-N 2.9Å; D46-Q50 PolarHBondContact O-NE2 3.4Å; Q47-Q50 WeakPolarHBondContact O-CB 3.31Å; Q47-Q50 PolarHBondContact O-N 3.16Å; Q47-Q50 VanDerWaalsContact O-N 3.09Å; R48-Q50 VanDerWaalsContact C-N 3.34Å; R48-Q50 PolarHBondContact O-N 3.19Å; Q50-A53 PolarHBondContact O-N 3.26Å; Q50-A54 WeakPolarHBondContact O-CB 3.46Å; Q50-A54 PolarHBondContact O-N 2.84Å |
| 51 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 173.7 | -63.8 | 167.4 | 0 | 0 | 0 | 109.9 | F13 D18 A19 L22 V39 R43 Q47 R48 A53 A54 Y55 L63 | F13-I51 HydrophobicContact CE2-CD1 3.95Å; F13-I51 HydrophobicContact CE2-CG1 3.72Å; F13-I51 HydrophobicContact CZ-CG1 3.88Å; D18-I51 HydrophobicContact CB-CD1 3.72Å; D18-I51 HydrophobicContact CB-CG1 3.79Å; D18-I51 HydrophobicContact CB-CG2 4.34Å; A19-I51 HydrophobicContact CB-CG2 4.38Å; L22-I51 HydrophobicContact CD1-CG2 3.6Å; V39-I51 HydrophobicContact CG1-CD1 4.21Å; R43-I51 HydrophobicContact CB-CD1 4.46Å; R43-I51 HydrophobicContact CG-CD1 4.01Å; Q47-I51 VanDerWaalsContact O-CG1 3.3Å; Q47-I51 WeakPolarHBondContact O-CG1 3.32Å; Q47-I51 PolarHBondContact O-N 2.83Å; R48-I51 PolarHBondContact O-N 3.39Å; I51-A53 VanDerWaalsContact C-N 3.31Å; I51-A53 PolarHBondContact O-N 2.6Å; I51-A54 PolarHBondContact O-N 3.44Å; I51-Y55 WeakPolarHBondContact O-CB 3.2Å; I51-Y55 PolarHBondContact O-N 3.17Å; I51-L63 HydrophobicContact CG2-CD2 3.77Å |
| 52 | K | 98.6 | Very high | 98 | Very high | 64 Ų | 64 | 54.9 Ų | 54.9 | 28% | 0.278 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -55.5 | -45.8 | 176.8 | -177.8 | 176.5 | 178.4 | 178.4 | 0 | 111.7 | R48 Q49 K56 D62 L63 V64 M83 | R48-K52 PolarHBondContact O-N 2.84Å; Q49-K52 PolarHBondContact O-N 2.7Å; K52-K56 PolarHBondContact O-N 2.77Å; K52-K56 VanDerWaalsContact O-N 3.1Å; K52-D62 WeakPolarHBondContact CE-OD2 3.36Å; K52-D62 IonicContact NZ-OD2 3.35Å; K52-L63 HydrophobicContact CB-CD2 4.44Å; K52-L63 HydrophobicContact CG-CB 4.32Å; K52-V64 HydrophobicContact CD-CG2 4.25Å; K52-M83 HydrophobicContact CB-CE 4.07Å |
| 53 | A | 98.7 | Very high | 98.4 | Very high | 62 Ų | 62 | 53.2 Ų | 53.2 | 51% | 0.512 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q49 Q50 I51 K56 K57 | Q49-A53 PolarHBondContact O-N 3.27Å; Q49-A53 VanDerWaalsContact O-N 3.08Å; Q50-A53 PolarHBondContact O-N 3.26Å; I51-A53 VanDerWaalsContact C-N 3.31Å; I51-A53 PolarHBondContact O-N 2.6Å; A53-K56 PolarHBondContact O-N 3.03Å; A53-K57 PolarHBondContact O-N 2.93Å |
| 54 | A | 98.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 13% | 0.132 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | A15 A19 Q50 I51 K57 A58 | A15-A54 HydrophobicContact CB-CB 3.89Å; A15-A54 WeakPolarHBondContact O-CB 3.46Å; A19-A54 HydrophobicContact CB-CB 4.18Å; Q50-A54 WeakPolarHBondContact O-CB 3.46Å; Q50-A54 PolarHBondContact O-N 2.84Å; I51-A54 PolarHBondContact O-N 3.44Å; A54-K57 PolarHBondContact O-N 3.46Å; A54-A58 WeakPolarHBondContact O-CB 3.39Å; A54-A58 PolarHBondContact O-N 3.13Å |
| 55 | Y | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 176.6 | -168.6 | -89.3 | 0 | 0 | 0 | 111.6 | A19 H23 M26 I51 K57 A58 Y59 K61 L63 A66 | A19-Y55 HydrophobicContact CB-CD2 4.1Å; H23-Y55 HydrophobicContact CB-CE2 3.73Å; H23-Y55 PolarHBondContact ND1-OH 3.08Å; M26-Y55 HydrophobicContact CE-CE2 3.89Å; M26-Y55 WeakPolarHBondContact CE-OH 3.01Å; I51-Y55 WeakPolarHBondContact O-CB 3.2Å; I51-Y55 PolarHBondContact O-N 3.17Å; Y55-K57 VanDerWaalsContact C-N 3.32Å; Y55-K57 PolarHBondContact O-N 2.95Å; Y55-A58 PolarHBondContact O-N 2.94Å; Y55-Y59 HydrophobicContact CD1-CD2 4.25Å; Y55-Y59 AromaticContact CD2-CD2 3.57Å; Y55-Y59 HydrophobicContact CD2-CD2 3.57Å; Y55-Y59 AromaticContact CD2-CE2 3.83Å; Y55-Y59 HydrophobicContact CD2-CE2 3.83Å; Y55-Y59 HydrophobicContact CE1-CD2 4.32Å; Y55-Y59 AromaticContact CE2-CD2 3.64Å; Y55-Y59 HydrophobicContact CE2-CD2 3.64Å; Y55-Y59 AromaticContact CE2-CE2 3.96Å; Y55-Y59 HydrophobicContact CE2-CE2 3.96Å; Y55-Y59 AromaticContact CG-CD2 3.89Å; Y55-Y59 HydrophobicContact CG-CD2 3.89Å; Y55-Y59 HydrophobicContact CG-CE2 4.48Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.34Å; Y55-Y59 PolarHBondContact O-N 3.4Å; Y55-K61 HydrophobicContact CE1-CB 3.99Å; Y55-L63 HydrophobicContact CD1-CB 3.71Å; Y55-L63 HydrophobicContact CD1-CD1 4.04Å; Y55-L63 HydrophobicContact CD1-CG 4.42Å; Y55-L63 HydrophobicContact CD2-CD1 3.81Å; Y55-L63 HydrophobicContact CE1-CB 4.35Å; Y55-L63 HydrophobicContact CE1-CD1 4.15Å; Y55-L63 HydrophobicContact CE2-CD1 3.94Å; Y55-L63 HydrophobicContact CG-CB 3.92Å; Y55-L63 HydrophobicContact CG-CD1 3.87Å; Y55-L63 HydrophobicContact CG-CD2 4.43Å; Y55-L63 HydrophobicContact CG-CG 4.29Å; Y55-A66 HydrophobicContact CE1-CB 4.25Å |
| 56 | K | 98.5 | Very high | 98.3 | Very high | 109 Ų | 109 | 56.8 Ų | 56.8 | 47% | 0.474 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 176.3 | -175.7 | 62.7 | 176.2 | -178 | 0 | 112.1 | K52 A53 G60 K61 | K52-K56 PolarHBondContact O-N 2.77Å; K52-K56 VanDerWaalsContact O-N 3.1Å; A53-K56 PolarHBondContact O-N 3.03Å; K56-G60 PolarHBondContact NZ-O 2.95Å; K56-G60 VanDerWaalsContact O-CA 3.23Å; K56-G60 WeakPolarHBondContact O-CA 3.48Å; K56-G60 PolarHBondContact O-N 3.42Å; K56-K61 VanDerWaalsContact CA-O 3.31Å; K56-K61 WeakPolarHBondContact CA-O 3.24Å; K56-K61 VanDerWaalsContact CD-O 3.24Å; K56-K61 WeakPolarHBondContact CD-O 3.38Å |
| 57 | K | 98.4 | Very high | 98.3 | Very high | 182 Ų | 182 | 51.3 Ų | 51.3 | 79% | 0.791 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.8 | -41 | 178.4 | -175.3 | 176.4 | -179.3 | 172.6 | 0 | 112.7 | A53 A54 Y55 | A53-K57 PolarHBondContact O-N 2.93Å; A54-K57 PolarHBondContact O-N 3.46Å; Y55-K57 VanDerWaalsContact C-N 3.32Å; Y55-K57 PolarHBondContact O-N 2.95Å |
| 58 | A | 98.3 | Very high | 98.3 | Very high | 66 Ų | 66 | 55.5 Ų | 55.5 | 55% | 0.545 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -78.1 | -38.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A54 Y55 | A54-A58 WeakPolarHBondContact O-CB 3.39Å; A54-A58 PolarHBondContact O-N 3.13Å; Y55-A58 PolarHBondContact O-N 2.94Å |
| 59 | Y | 97.6 | Very high | 98.1 | Very high | 68 Ų | 68 | 59.4 Ų | 59.4 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -119.1 | -3.9 | -168.8 | -53.7 | -64.8 | 0 | 0 | 0 | 114.3 | E20 H23 Y55 K61 | E20-Y59 WeakPolarHBondContact CA-OH 3.26Å; E20-Y59 VanDerWaalsContact CG-OH 3.31Å; E20-Y59 WeakPolarHBondContact CG-OH 3.49Å; H23-Y59 HydrophobicContact CB-CD2 4.15Å; H23-Y59 HydrophobicContact CB-CE1 4.14Å; H23-Y59 HydrophobicContact CB-CE2 3.55Å; H23-Y59 AromaticContact CD2-CD1 3.99Å; H23-Y59 AromaticContact CD2-CE1 3.5Å; H23-Y59 AromaticContact CD2-CZ 3.8Å; H23-Y59 AromaticContact CE1-CD1 3.98Å; H23-Y59 AromaticContact CG-CD1 3.93Å; H23-Y59 AromaticContact CG-CE1 3.63Å; H23-Y59 AromaticContact CG-CE2 3.85Å; H23-Y59 AromaticContact CG-CZ 3.58Å; H23-Y59 AromaticContact ND1-CD1 3.93Å; H23-Y59 AromaticContact ND1-CG 3.98Å; H23-Y59 AromaticContact NE2-CE1 3.93Å; Y55-Y59 HydrophobicContact CD1-CD2 4.25Å; Y55-Y59 AromaticContact CD2-CD2 3.57Å; Y55-Y59 HydrophobicContact CD2-CD2 3.57Å; Y55-Y59 AromaticContact CD2-CE2 3.83Å; Y55-Y59 HydrophobicContact CD2-CE2 3.83Å; Y55-Y59 HydrophobicContact CE1-CD2 4.32Å; Y55-Y59 AromaticContact CE2-CD2 3.64Å; Y55-Y59 HydrophobicContact CE2-CD2 3.64Å; Y55-Y59 AromaticContact CE2-CE2 3.96Å; Y55-Y59 HydrophobicContact CE2-CE2 3.96Å; Y55-Y59 AromaticContact CG-CD2 3.89Å; Y55-Y59 HydrophobicContact CG-CD2 3.89Å; Y55-Y59 HydrophobicContact CG-CE2 4.48Å; Y55-Y59 WeakPolarHBondContact O-CD2 3.34Å; Y55-Y59 PolarHBondContact O-N 3.4Å; Y59-K61 PolarHBondContact O-N 3.44Å |
| 60 | G | 97.4 | Very high | 98 | Very high | 50 Ų | 50 | 60.2 Ų | 60.2 | 52% | 0.515 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 68.6 | 0.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K56 | K56-G60 PolarHBondContact NZ-O 2.95Å; K56-G60 VanDerWaalsContact O-CA 3.23Å; K56-G60 WeakPolarHBondContact O-CA 3.48Å; K56-G60 PolarHBondContact O-N 3.42Å |
| 61 | K | 96.7 | Very high | 98 | Very high | 127 Ų | 127 | 56 Ų | 56 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -104.7 | 148.3 | -176.9 | -66.4 | -178.1 | 179.8 | -172.4 | 0 | 111.7 | Y55 K56 Y59 | Y55-K61 HydrophobicContact CE1-CB 3.99Å; K56-K61 VanDerWaalsContact CA-O 3.31Å; K56-K61 WeakPolarHBondContact CA-O 3.24Å; K56-K61 VanDerWaalsContact CD-O 3.24Å; K56-K61 WeakPolarHBondContact CD-O 3.38Å; Y59-K61 PolarHBondContact O-N 3.44Å |
| 62 | D | 98 | Very high | 97.8 | Very high | 50 Ų | 50 | 58.3 Ų | 58.3 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | trans | -74.2 | 130.4 | 168.6 | 179.6 | -96.9 | 0 | 0 | 0 | 109.5 | K52 V64 S65 A66 | K52-D62 WeakPolarHBondContact CE-OD2 3.36Å; K52-D62 IonicContact NZ-OD2 3.35Å; D62-V64 WeakPolarHBondContact OD1-CA 3.24Å; D62-V64 WeakPolarHBondContact OD1-CB 3.29Å; D62-V64 PolarHBondContact OD1-N 2.61Å; D62-S65 PolarHBondContact OD1-N 2.93Å; D62-S65 PolarHBondContact OD1-OG 3.35Å; D62-A66 PolarHBondContact O-N 3.35Å | ||
| 63 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -68.1 | -38.7 | -176.4 | 177 | 56.6 | 0 | 0 | 0 | 112.1 | L22 M26 I51 K52 Y55 A66 L67 M83 | L22-L63 HydrophobicContact CB-CD1 4.43Å; L22-L63 HydrophobicContact CD1-CD1 4.13Å; L22-L63 HydrophobicContact CD1-CD2 3.88Å; M26-L63 HydrophobicContact CE-CD1 3.86Å; I51-L63 HydrophobicContact CG2-CD2 3.77Å; K52-L63 HydrophobicContact CB-CD2 4.44Å; K52-L63 HydrophobicContact CG-CB 4.32Å; Y55-L63 HydrophobicContact CD1-CB 3.71Å; Y55-L63 HydrophobicContact CD1-CD1 4.04Å; Y55-L63 HydrophobicContact CD1-CG 4.42Å; Y55-L63 HydrophobicContact CD2-CD1 3.81Å; Y55-L63 HydrophobicContact CE1-CB 4.35Å; Y55-L63 HydrophobicContact CE1-CD1 4.15Å; Y55-L63 HydrophobicContact CE2-CD1 3.94Å; Y55-L63 HydrophobicContact CG-CB 3.92Å; Y55-L63 HydrophobicContact CG-CD1 3.87Å; Y55-L63 HydrophobicContact CG-CD2 4.43Å; Y55-L63 HydrophobicContact CG-CG 4.29Å; L63-A66 PolarHBondContact O-N 2.95Å; L63-L67 HydrophobicContact CD1-CD1 4.01Å; L63-L67 HydrophobicContact CD1-CG 4.05Å; L63-L67 HydrophobicContact CG-CD1 3.89Å; L63-L67 HydrophobicContact CG-CG 4.41Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.45Å; L63-L67 PolarHBondContact O-N 3.06Å; L63-M83 HydrophobicContact CD2-CE 3.59Å; L63-M83 HydrophobicContact CG-CE 4.18Å |
| 64 | V | 98.3 | Very high | 97.7 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 12% | 0.115 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.1 | -43.3 | -178.9 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | K52 D62 A66 L67 K68 V80 M83 | K52-V64 HydrophobicContact CD-CG2 4.25Å; D62-V64 WeakPolarHBondContact OD1-CA 3.24Å; D62-V64 WeakPolarHBondContact OD1-CB 3.29Å; D62-V64 PolarHBondContact OD1-N 2.61Å; V64-A66 VanDerWaalsContact C-N 3.3Å; V64-A66 PolarHBondContact O-N 3.06Å; V64-L67 PolarHBondContact O-N 3.35Å; V64-K68 WeakPolarHBondContact O-CG 3.44Å; V64-K68 PolarHBondContact O-N 3Å; V64-V80 HydrophobicContact CG1-CG1 4.18Å; V64-V80 HydrophobicContact CG1-CG2 4.26Å; V64-M83 HydrophobicContact CG2-CB 3.87Å; V64-M83 HydrophobicContact CG2-CG 4.45Å |
| 65 | S | 98 | Very high | 97.6 | Very high | 78 Ų | 78 | 57.6 Ų | 57.6 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 173.3 | -60.4 | 0 | 0 | 0 | 0 | 112.9 | D62 S69 | D62-S65 PolarHBondContact OD1-N 2.93Å; D62-S65 PolarHBondContact OD1-OG 3.35Å; S65-S69 PolarHBondContact O-N 3.13Å |
| 66 | A | 97.8 | Very high | 97.6 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 10% | 0.099 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M26 Y55 D62 L63 V64 K68 S69 E70 | M26-A66 HydrophobicContact CE-CB 4.14Å; M26-A66 HydrophobicContact SD-CB 4.07Å; Y55-A66 HydrophobicContact CE1-CB 4.25Å; D62-A66 PolarHBondContact O-N 3.35Å; L63-A66 PolarHBondContact O-N 2.95Å; V64-A66 VanDerWaalsContact C-N 3.3Å; V64-A66 PolarHBondContact O-N 3.06Å; A66-K68 VanDerWaalsContact C-N 3.29Å; A66-K68 PolarHBondContact O-N 2.94Å; A66-S69 PolarHBondContact O-N 2.85Å; A66-S69 VanDerWaalsContact O-N 3.11Å; A66-S69 PolarHBondContact O-OG 2.81Å; A66-E70 WeakPolarHBondContact O-CG 3.27Å; A66-E70 PolarHBondContact O-N 3.22Å |
| 67 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.8 | -41 | 176.9 | -70.5 | 162.9 | 0 | 0 | 0 | 111.6 | M26 I36 L40 L63 V64 S69 E70 L71 I79 M83 | M26-L67 HydrophobicContact CE-CD2 4.48Å; M26-L67 HydrophobicContact SD-CD2 3.86Å; M26-L67 HydrophobicContact SD-CG 4.21Å; I36-L67 HydrophobicContact CD1-CD2 4.17Å; I36-L67 HydrophobicContact CG1-CD2 4.41Å; I36-L67 HydrophobicContact CG2-CD2 3.67Å; L40-L67 HydrophobicContact CD1-CD1 3.83Å; L40-L67 HydrophobicContact CD1-CD2 4.27Å; L63-L67 HydrophobicContact CD1-CD1 4.01Å; L63-L67 HydrophobicContact CD1-CG 4.05Å; L63-L67 HydrophobicContact CG-CD1 3.89Å; L63-L67 HydrophobicContact CG-CG 4.41Å; L63-L67 VanDerWaalsContact O-CG 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.45Å; L63-L67 PolarHBondContact O-N 3.06Å; V64-L67 PolarHBondContact O-N 3.35Å; L67-S69 VanDerWaalsContact C-N 3.28Å; L67-S69 PolarHBondContact O-N 3.34Å; L67-E70 PolarHBondContact O-N 3.1Å; L67-L71 HydrophobicContact CB-CD1 4.41Å; L67-L71 HydrophobicContact CD2-CD1 4.33Å; L67-L71 WeakPolarHBondContact O-CB 3.41Å; L67-L71 VanDerWaalsContact O-CG 3.29Å; L67-L71 WeakPolarHBondContact O-CG 3.28Å; L67-L71 PolarHBondContact O-N 3.32Å; L67-I79 HydrophobicContact CB-CG2 4.48Å; L67-I79 HydrophobicContact CD1-CG2 3.89Å; L67-I79 HydrophobicContact CD2-CG2 4.3Å; L67-I79 HydrophobicContact CG-CG2 4.46Å; L67-M83 HydrophobicContact CD1-CG 4.06Å |
| 68 | K | 97.8 | Very high | 97.6 | Very high | 103 Ų | 103 | 49.3 Ų | 49.3 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.1 | -24 | 176.7 | -70 | -172.5 | 173.9 | -168.7 | 0 | 114.6 | V64 A66 E76 V80 | V64-K68 WeakPolarHBondContact O-CG 3.44Å; V64-K68 PolarHBondContact O-N 3Å; A66-K68 VanDerWaalsContact C-N 3.29Å; A66-K68 PolarHBondContact O-N 2.94Å; K68-E76 HydrophobicContact CG-CG 4.29Å; K68-E76 WeakPolarHBondContact CG-OE1 3.46Å; K68-V80 HydrophobicContact CD-CG2 4.2Å; K68-V80 VanDerWaalsContact CE-CG2 3.44Å; K68-V80 HydrophobicContact CG-CG2 3.63Å |
| 69 | S | 96.4 | Very high | 97.6 | Very high | 84 Ų | 84 | 46.1 Ų | 46.1 | 59% | 0.587 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -82.1 | -19.3 | 176.5 | 63 | 0 | 0 | 0 | 0 | 113.1 | S65 A66 L67 | S65-S69 PolarHBondContact O-N 3.13Å; A66-S69 PolarHBondContact O-N 2.85Å; A66-S69 VanDerWaalsContact O-N 3.11Å; A66-S69 PolarHBondContact O-OG 2.81Å; L67-S69 VanDerWaalsContact C-N 3.28Å; L67-S69 PolarHBondContact O-N 3.34Å |
| 70 | E | 96.8 | Very high | 97.6 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -106.4 | -24.1 | -173.7 | -58.9 | -59.6 | 146 | 0 | 0 | 113.2 | M26 T31 A66 L67 | M26-E70 HydrophobicContact CB-CG 3.83Å; M26-E70 HydrophobicContact CG-CB 4.2Å; M26-E70 HydrophobicContact CG-CG 3.76Å; M26-E70 HydrophobicContact SD-CB 4.46Å; M26-E70 HydrophobicContact SD-CG 3.95Å; T31-E70 HydrophobicContact CG2-CB 3.99Å; T31-E70 PolarHBondContact OG1-O 3.44Å; T31-E70 PolarHBondContact OG1-OE2 3.35Å; A66-E70 WeakPolarHBondContact O-CG 3.27Å; A66-E70 PolarHBondContact O-N 3.22Å; L67-E70 PolarHBondContact O-N 3.1Å |
| 71 | L | 96.9 | Very high | 97.7 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | trans | -105 | 164.1 | -179 | -56 | -178.1 | 0 | 0 | 0 | 110.8 | T31 E33 I36 L67 F75 E76 I79 | T31-L71 HydrophobicContact CG2-CD2 4.07Å; E33-L71 HydrophobicContact CG-CD2 3.94Å; I36-L71 HydrophobicContact CD1-CD2 4.07Å; I36-L71 HydrophobicContact CG2-CD1 4.38Å; L67-L71 HydrophobicContact CB-CD1 4.41Å; L67-L71 HydrophobicContact CD2-CD1 4.33Å; L67-L71 WeakPolarHBondContact O-CB 3.41Å; L67-L71 VanDerWaalsContact O-CG 3.29Å; L67-L71 WeakPolarHBondContact O-CG 3.28Å; L67-L71 PolarHBondContact O-N 3.32Å; L71-F75 HydrophobicContact CD1-CD1 4.21Å; L71-F75 HydrophobicContact CD1-CE1 3.98Å; L71-F75 HydrophobicContact CD2-CD1 3.9Å; L71-F75 HydrophobicContact CD2-CE1 3.6Å; L71-F75 HydrophobicContact CG-CD1 4.48Å; L71-F75 HydrophobicContact CG-CE1 4.37Å; L71-E76 HydrophobicContact CB-CB 3.73Å; L71-E76 HydrophobicContact CB-CG 4.01Å; L71-I79 HydrophobicContact CD1-CB 3.99Å; L71-I79 HydrophobicContact CD1-CG1 3.95Å; L71-I79 HydrophobicContact CD1-CG2 3.99Å | ||
| 72 | G | 95.5 | Very high | 97.8 | Very high | 48 Ų | 48 | 35.9 Ų | 35.9 | 50% | 0.495 | 22% | 0.222 | S | C | . | . | trans | -144.9 | 165.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E76 | G72-E76 WeakPolarHBondContact CA-OE2 3.48Å; G72-E76 PolarHBondContact O-N 3Å | ||
| 73 | G | 97.4 | Very high | 97.8 | Very high | 50 Ų | 50 | 33.5 Ų | 33.5 | 52% | 0.515 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | 63.2 | -147.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F75 E76 N77 | G73-F75 VanDerWaalsContact C-N 3.27Å; G73-F75 PolarHBondContact O-N 3.06Å; G73-E76 PolarHBondContact O-N 3.06Å; G73-N77 PolarHBondContact O-N 3.39Å; G73-N77 VanDerWaalsContact O-N 3.15Å |
| 74 | L | 97.7 | Very high | 97.8 | Very high | 62 Ų | 62 | 34.9 Ų | 34.9 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.4 | -31.9 | -176.6 | -65.3 | 174.5 | 0 | 0 | 0 | 113.1 | N77 L78 D262 M266 Y304 | L74-N77 PolarHBondContact O-N 3.48Å; L74-L78 WeakPolarHBondContact O-CB 3.23Å; L74-L78 PolarHBondContact O-N 2.95Å; L74-D262 HydrophobicContact CD1-CB 4.15Å; L74-D262 VanDerWaalsContact CD1-CG 3.49Å; L74-D262 VanDerWaalsContact CD1-OD2 3.27Å; L74-D262 WeakPolarHBondContact CD1-OD2 3.5Å; L74-D262 HydrophobicContact CD2-CB 3.77Å; L74-M266 HydrophobicContact CD2-CE 4.31Å; L74-Y304 HydrophobicContact CB-CD1 4.1Å; L74-Y304 HydrophobicContact CB-CD2 3.77Å; L74-Y304 HydrophobicContact CB-CE1 4.38Å; L74-Y304 HydrophobicContact CB-CE2 4.09Å; L74-Y304 HydrophobicContact CB-CG 3.75Å; L74-Y304 HydrophobicContact CD1-CD1 4.01Å; L74-Y304 HydrophobicContact CD1-CE1 3.96Å |
| 75 | F | 97.7 | Very high | 97.8 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 177.5 | -178.3 | -124.1 | 0 | 0 | 0 | 111.5 | E33 L37 L71 G73 N77 L78 I79 D303 A307 | E33-F75 HydrophobicContact CB-CD1 4.46Å; E33-F75 HydrophobicContact CB-CE1 3.7Å; E33-F75 HydrophobicContact CB-CZ 4.31Å; E33-F75 HydrophobicContact CG-CD1 4.3Å; E33-F75 HydrophobicContact CG-CE1 3.87Å; L37-F75 HydrophobicContact CB-CE2 4.13Å; L37-F75 HydrophobicContact CB-CZ 3.95Å; L37-F75 HydrophobicContact CD1-CE2 4.03Å; L37-F75 HydrophobicContact CD1-CZ 4.47Å; L37-F75 HydrophobicContact CG-CE2 4.48Å; L71-F75 HydrophobicContact CD1-CD1 4.21Å; L71-F75 HydrophobicContact CD1-CE1 3.98Å; L71-F75 HydrophobicContact CD2-CD1 3.9Å; L71-F75 HydrophobicContact CD2-CE1 3.6Å; L71-F75 HydrophobicContact CG-CD1 4.48Å; L71-F75 HydrophobicContact CG-CE1 4.37Å; G73-F75 VanDerWaalsContact C-N 3.27Å; G73-F75 PolarHBondContact O-N 3.06Å; F75-N77 PolarHBondContact O-N 2.87Å; F75-L78 PolarHBondContact O-N 3.45Å; F75-I79 HydrophobicContact CD2-CG1 4.07Å; F75-I79 HydrophobicContact CE1-CG1 4.35Å; F75-I79 HydrophobicContact CE2-CD1 3.77Å; F75-I79 HydrophobicContact CE2-CG1 3.64Å; F75-I79 HydrophobicContact CZ-CD1 4.02Å; F75-I79 HydrophobicContact CZ-CG1 3.79Å; F75-I79 WeakPolarHBondContact O-CG1 3.29Å; F75-I79 PolarHBondContact O-N 2.89Å; F75-D303 HydrophobicContact CD1-CB 4.02Å; F75-D303 HydrophobicContact CD2-CB 3.92Å; F75-D303 HydrophobicContact CE1-CB 4.17Å; F75-D303 HydrophobicContact CE2-CB 4.09Å; F75-D303 HydrophobicContact CG-CB 3.9Å; F75-D303 HydrophobicContact CZ-CB 4.22Å; F75-A307 HydrophobicContact CD2-CB 4.38Å; F75-A307 HydrophobicContact CE2-CB 4.13Å |
| 76 | E | 98.1 | Very high | 97.8 | Very high | 41 Ų | 41 | 35.9 Ų | 35.9 | 19% | 0.192 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.6 | -49.9 | 172.1 | -175.8 | -164.3 | 150.9 | 0 | 0 | 111 | K68 L71 G72 G73 L78 I79 V80 | K68-E76 HydrophobicContact CG-CG 4.29Å; K68-E76 WeakPolarHBondContact CG-OE1 3.46Å; L71-E76 HydrophobicContact CB-CB 3.73Å; L71-E76 HydrophobicContact CB-CG 4.01Å; G72-E76 WeakPolarHBondContact CA-OE2 3.48Å; G72-E76 PolarHBondContact O-N 3Å; G73-E76 PolarHBondContact O-N 3.06Å; E76-L78 VanDerWaalsContact C-N 3.32Å; E76-L78 PolarHBondContact O-N 3.27Å; E76-I79 PolarHBondContact O-N 2.91Å; E76-V80 HydrophobicContact CG-CG2 4.26Å; E76-V80 WeakPolarHBondContact O-CB 3.47Å; E76-V80 VanDerWaalsContact O-CG2 3.23Å; E76-V80 WeakPolarHBondContact O-CG2 3.48Å; E76-V80 PolarHBondContact O-N 3.44Å |
| 77 | N | 98.2 | Very high | 97.8 | Very high | 79 Ų | 79 | 37.6 Ų | 37.6 | 42% | 0.422 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.1 | -45.4 | -178.8 | -73 | -14.8 | 0 | 0 | 0 | 111.8 | G73 L74 F75 V80 A81 M266 | G73-N77 PolarHBondContact O-N 3.39Å; G73-N77 VanDerWaalsContact O-N 3.15Å; L74-N77 PolarHBondContact O-N 3.48Å; F75-N77 PolarHBondContact O-N 2.87Å; N77-V80 PolarHBondContact O-N 3.3Å; N77-A81 WeakPolarHBondContact O-CB 3.34Å; N77-A81 PolarHBondContact O-N 3.5Å; N77-M266 HydrophobicContact CB-CE 3.6Å; N77-M266 HydrophobicContact CB-SD 3.84Å |
| 78 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.5 | -45.8 | 178.3 | 175.8 | 60.9 | 0 | 0 | 0 | 112 | L74 F75 E76 V80 A81 L82 M266 V270 Y304 A307 L308 L311 | L74-L78 WeakPolarHBondContact O-CB 3.23Å; L74-L78 PolarHBondContact O-N 2.95Å; F75-L78 PolarHBondContact O-N 3.45Å; E76-L78 VanDerWaalsContact C-N 3.32Å; E76-L78 PolarHBondContact O-N 3.27Å; L78-V80 VanDerWaalsContact C-N 3.34Å; L78-V80 PolarHBondContact O-N 3.45Å; L78-A81 WeakPolarHBondContact O-CB 3.19Å; L78-A81 PolarHBondContact O-N 3.3Å; L78-L82 HydrophobicContact CD1-CD1 4.41Å; L78-L82 HydrophobicContact CD1-CG 4.32Å; L78-L82 HydrophobicContact CG-CD1 4.33Å; L78-L82 WeakPolarHBondContact O-CG 3.5Å; L78-L82 PolarHBondContact O-N 2.78Å; L78-M266 HydrophobicContact CB-CE 4.18Å; L78-M266 HydrophobicContact CB-CG 4.2Å; L78-M266 HydrophobicContact CB-SD 4.17Å; L78-M266 HydrophobicContact CD1-CG 3.74Å; L78-V270 HydrophobicContact CD1-CG2 3.5Å; L78-V270 VanDerWaalsContact CD1-CG2 3.5Å; L78-Y304 HydrophobicContact CB-CD2 4.13Å; L78-Y304 HydrophobicContact CB-CE2 4.23Å; L78-Y304 HydrophobicContact CD2-CD2 3.81Å; L78-Y304 HydrophobicContact CD2-CE2 4.05Å; L78-A307 HydrophobicContact CD2-CB 3.43Å; L78-A307 VanDerWaalsContact CD2-CB 3.43Å; L78-L308 HydrophobicContact CD1-CD2 4.36Å; L78-L308 HydrophobicContact CD2-CD2 3.97Å; L78-L308 HydrophobicContact CD2-CG 4.16Å; L78-L311 HydrophobicContact CD1-CD1 3.84Å |
| 79 | I | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 178.4 | -68.4 | -60.3 | 0 | 0 | 0 | 110.9 | I36 L40 L67 L71 F75 E76 A81 L82 M83 | I36-I79 HydrophobicContact CG2-CD1 4.48Å; L40-I79 HydrophobicContact CB-CD1 4.36Å; L40-I79 HydrophobicContact CD1-CD1 4.4Å; L40-I79 HydrophobicContact CD1-CG2 3.59Å; L67-I79 HydrophobicContact CB-CG2 4.48Å; L67-I79 HydrophobicContact CD1-CG2 3.89Å; L67-I79 HydrophobicContact CD2-CG2 4.3Å; L67-I79 HydrophobicContact CG-CG2 4.46Å; L71-I79 HydrophobicContact CD1-CB 3.99Å; L71-I79 HydrophobicContact CD1-CG1 3.95Å; L71-I79 HydrophobicContact CD1-CG2 3.99Å; F75-I79 HydrophobicContact CD2-CG1 4.07Å; F75-I79 HydrophobicContact CE1-CG1 4.35Å; F75-I79 HydrophobicContact CE2-CD1 3.77Å; F75-I79 HydrophobicContact CE2-CG1 3.64Å; F75-I79 HydrophobicContact CZ-CD1 4.02Å; F75-I79 HydrophobicContact CZ-CG1 3.79Å; F75-I79 WeakPolarHBondContact O-CG1 3.29Å; F75-I79 PolarHBondContact O-N 2.89Å; E76-I79 PolarHBondContact O-N 2.91Å; I79-A81 VanDerWaalsContact C-N 3.35Å; I79-A81 PolarHBondContact O-N 2.75Å; I79-L82 HydrophobicContact CD1-CD1 4.38Å; I79-L82 PolarHBondContact O-N 3.2Å; I79-M83 VanDerWaalsContact O-CG 3.26Å; I79-M83 WeakPolarHBondContact O-CG 3.32Å; I79-M83 PolarHBondContact O-N 2.87Å |
| 80 | V | 98.3 | Very high | 98 | Very high | 26 Ų | 26 | 32.6 Ų | 32.6 | 16% | 0.158 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 176.4 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | V64 K68 E76 N77 L78 M83 T84 | V64-V80 HydrophobicContact CG1-CG1 4.18Å; V64-V80 HydrophobicContact CG1-CG2 4.26Å; K68-V80 HydrophobicContact CD-CG2 4.2Å; K68-V80 VanDerWaalsContact CE-CG2 3.44Å; K68-V80 HydrophobicContact CG-CG2 3.63Å; E76-V80 HydrophobicContact CG-CG2 4.26Å; E76-V80 WeakPolarHBondContact O-CB 3.47Å; E76-V80 VanDerWaalsContact O-CG2 3.23Å; E76-V80 WeakPolarHBondContact O-CG2 3.48Å; E76-V80 PolarHBondContact O-N 3.44Å; N77-V80 PolarHBondContact O-N 3.3Å; L78-V80 VanDerWaalsContact C-N 3.34Å; L78-V80 PolarHBondContact O-N 3.45Å; V80-M83 PolarHBondContact O-N 3.26Å; V80-T84 PolarHBondContact O-N 2.99Å; V80-T84 PolarHBondContact O-OG1 2.87Å |
| 81 | A | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 3% | 0.025 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.9 | -46.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N77 L78 I79 M83 T84 Y89 V270 | N77-A81 WeakPolarHBondContact O-CB 3.34Å; N77-A81 PolarHBondContact O-N 3.5Å; L78-A81 WeakPolarHBondContact O-CB 3.19Å; L78-A81 PolarHBondContact O-N 3.3Å; I79-A81 VanDerWaalsContact C-N 3.35Å; I79-A81 PolarHBondContact O-N 2.75Å; A81-M83 VanDerWaalsContact C-N 3.26Å; A81-M83 PolarHBondContact O-N 3.42Å; A81-T84 WeakPolarHBondContact O-CB 3.26Å; A81-T84 PolarHBondContact O-N 3.44Å; A81-Y89 HydrophobicContact CB-CD2 4.31Å; A81-Y89 HydrophobicContact CB-CE1 4.38Å; A81-Y89 HydrophobicContact CB-CE2 3.49Å; A81-Y89 VanDerWaalsContact CB-CE2 3.49Å; A81-Y89 WeakPolarHBondContact CB-OH 3.14Å; A81-V270 HydrophobicContact CB-CG1 4.29Å; A81-V270 HydrophobicContact CB-CG2 3.91Å |
| 82 | L | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -32.5 | 176.5 | -71.6 | 174.1 | 0 | 0 | 0 | 113.2 | N45 R48 L78 I79 T84 V270 L311 | N45-L82 PolarHBondContact ND2-O 3.32Å; R48-L82 WeakPolarHBondContact CD-O 3.49Å; R48-L82 VanDerWaalsContact NH1-CD2 3.33Å; R48-L82 PolarHBondContact NH1-O 2.96Å; L78-L82 HydrophobicContact CD1-CD1 4.41Å; L78-L82 HydrophobicContact CD1-CG 4.32Å; L78-L82 HydrophobicContact CG-CD1 4.33Å; L78-L82 WeakPolarHBondContact O-CG 3.5Å; L78-L82 PolarHBondContact O-N 2.78Å; I79-L82 HydrophobicContact CD1-CD1 4.38Å; I79-L82 PolarHBondContact O-N 3.2Å; L82-T84 VanDerWaalsContact C-N 3.26Å; L82-T84 PolarHBondContact O-N 2.81Å; L82-V270 HydrophobicContact CD2-CG1 4.32Å; L82-V270 HydrophobicContact CD2-CG2 3.96Å; L82-V270 HydrophobicContact CG-CG2 4.22Å; L82-L311 HydrophobicContact CD1-CD1 4.28Å; L82-L311 HydrophobicContact CD1-CD2 4.3Å; L82-L311 HydrophobicContact CD2-CD1 3.88Å; L82-L311 HydrophobicContact CD2-CD2 3.7Å; L82-L311 HydrophobicContact CD2-CG 4.43Å; L82-L311 HydrophobicContact CG-CD1 4.46Å |
| 83 | M | 98.5 | Very high | 98.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -9.3 | 178.1 | -68.8 | -59 | -64.6 | 0 | 0 | 113.8 | L40 R48 Q49 K52 L63 V64 L67 I79 V80 A81 | L40-M83 HydrophobicContact CD1-CG 4.33Å; L40-M83 HydrophobicContact CD1-SD 3.93Å; L40-M83 HydrophobicContact CD2-SD 3.54Å; L40-M83 VanDerWaalsContact CD2-SD 3.54Å; L40-M83 HydrophobicContact CG-SD 4.31Å; R48-M83 HydrophobicContact CB-CE 4.32Å; R48-M83 HydrophobicContact CB-SD 3.87Å; R48-M83 HydrophobicContact CG-SD 4.2Å; Q49-M83 PolarHBondContact NE2-O 3.33Å; K52-M83 HydrophobicContact CB-CE 4.07Å; L63-M83 HydrophobicContact CD2-CE 3.59Å; L63-M83 HydrophobicContact CG-CE 4.18Å; V64-M83 HydrophobicContact CG2-CB 3.87Å; V64-M83 HydrophobicContact CG2-CG 4.45Å; L67-M83 HydrophobicContact CD1-CG 4.06Å; I79-M83 VanDerWaalsContact O-CG 3.26Å; I79-M83 WeakPolarHBondContact O-CG 3.32Å; I79-M83 PolarHBondContact O-N 2.87Å; V80-M83 PolarHBondContact O-N 3.26Å; A81-M83 VanDerWaalsContact C-N 3.26Å; A81-M83 PolarHBondContact O-N 3.42Å |
| 84 | T | 98.6 | Very high | 98.3 | Very high | 29 Ų | 29 | 26.8 Ų | 26.8 | 18% | 0.178 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -90.5 | 132.3 | -177.6 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | N45 V80 A81 L82 L88 Y89 | N45-T84 PolarHBondContact ND2-O 3.02Å; V80-T84 PolarHBondContact O-N 2.99Å; V80-T84 PolarHBondContact O-OG1 2.87Å; A81-T84 WeakPolarHBondContact O-CB 3.26Å; A81-T84 PolarHBondContact O-N 3.44Å; L82-T84 VanDerWaalsContact C-N 3.26Å; L82-T84 PolarHBondContact O-N 2.81Å; T84-L88 HydrophobicContact CG2-CB 4.07Å; T84-L88 HydrophobicContact CG2-CD2 4.11Å; T84-L88 HydrophobicContact CG2-CG 3.88Å; T84-Y89 HydrophobicContact CG2-CD2 4.26Å |
| 85 | P | 98.6 | Very high | 98.3 | Very high | 44 Ų | 44 | 26.3 Ų | 26.3 | 29% | 0.286 | 15% | 0.147 | S | C | . | . | trans | -52.9 | 139.9 | 173 | -27 | 33.7 | 0 | 0 | 0 | 112.1 | N45 Q49 V87 L88 Y89 | N45-P85 WeakPolarHBondContact OD1-CA 3.46Å; Q49-P85 HydrophobicContact CG-CG 4.45Å; P85-V87 PolarHBondContact O-N 3.32Å; P85-L88 HydrophobicContact CB-CB 4.11Å; P85-L88 HydrophobicContact CG-CB 4.49Å; P85-L88 CarbonylContact O-C 3.59Å; P85-L88 WeakPolarHBondContact O-CA 3.41Å; P85-L88 WeakPolarHBondContact O-CB 3.42Å; P85-L88 PolarHBondContact O-N 3.21Å; P85-Y89 PolarHBondContact O-N 3.49Å | ||
| 86 | P | 98.1 | Very high | 98.3 | Very high | 73 Ų | 73 | 32.2 Ų | 32.2 | 47% | 0.474 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -57.2 | -46.3 | -168.8 | -27.5 | 36.2 | 0 | 0 | 0 | 113.9 | N45 L88 Y89 D90 | N45-P86 HydrophobicContact CB-CG 4.31Å; P86-L88 VanDerWaalsContact C-N 3.32Å; P86-L88 PolarHBondContact O-N 2.96Å; P86-Y89 WeakPolarHBondContact O-CB 3.38Å; P86-Y89 PolarHBondContact O-N 3.34Å; P86-Y89 VanDerWaalsContact O-N 3.14Å; P86-D90 PolarHBondContact O-N 3.01Å |
| 87 | V | 98.4 | Very high | 98.2 | Very high | 49 Ų | 49 | 30.4 Ų | 30.4 | 30% | 0.297 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65.6 | -35.9 | 178.9 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | P85 Y89 A91 D122 I123 V126 | P85-V87 PolarHBondContact O-N 3.32Å; V87-Y89 VanDerWaalsContact C-N 3.34Å; V87-A91 WeakPolarHBondContact O-CB 3.38Å; V87-A91 PolarHBondContact O-N 2.91Å; V87-D122 HydrophobicContact CG1-CB 4.07Å; V87-I123 HydrophobicContact CG1-CG1 4.04Å; V87-V126 HydrophobicContact CB-CG2 4.38Å; V87-V126 HydrophobicContact CG1-CB 4.01Å; V87-V126 HydrophobicContact CG1-CG2 3.61Å |
| 88 | L | 98.7 | Very high | 98.1 | Very high | 44 Ų | 44 | 27 Ų | 27 | 23% | 0.23 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.8 | -36.2 | 174.6 | 179.2 | 57.5 | 0 | 0 | 0 | 111.5 | T84 P85 P86 A91 T92 V126 E130 | T84-L88 HydrophobicContact CG2-CB 4.07Å; T84-L88 HydrophobicContact CG2-CD2 4.11Å; T84-L88 HydrophobicContact CG2-CG 3.88Å; P85-L88 HydrophobicContact CB-CB 4.11Å; P85-L88 HydrophobicContact CG-CB 4.49Å; P85-L88 CarbonylContact O-C 3.59Å; P85-L88 WeakPolarHBondContact O-CA 3.41Å; P85-L88 WeakPolarHBondContact O-CB 3.42Å; P85-L88 PolarHBondContact O-N 3.21Å; P86-L88 VanDerWaalsContact C-N 3.32Å; P86-L88 PolarHBondContact O-N 2.96Å; L88-A91 PolarHBondContact O-N 3.47Å; L88-T92 VanDerWaalsContact O-CB 3.32Å; L88-T92 WeakPolarHBondContact O-CB 3.22Å; L88-T92 PolarHBondContact O-N 2.97Å; L88-T92 PolarHBondContact O-OG1 2.94Å; L88-V126 HydrophobicContact CB-CG1 4.22Å; L88-V126 HydrophobicContact CD1-CG1 3.79Å; L88-E130 HydrophobicContact CD1-CB 4.35Å; L88-E130 HydrophobicContact CD1-CG 3.65Å |
| 89 | Y | 98.7 | Very high | 97.8 | Very high | 27 Ų | 27 | 31.5 Ų | 31.5 | 11% | 0.106 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.7 | -48.8 | 178.1 | -171 | -118.2 | 0 | 0 | 0 | 110.8 | A81 T84 P85 P86 V87 A91 T92 L93 V270 T271 | A81-Y89 HydrophobicContact CB-CD2 4.31Å; A81-Y89 HydrophobicContact CB-CE1 4.38Å; A81-Y89 HydrophobicContact CB-CE2 3.49Å; A81-Y89 VanDerWaalsContact CB-CE2 3.49Å; A81-Y89 WeakPolarHBondContact CB-OH 3.14Å; T84-Y89 HydrophobicContact CG2-CD2 4.26Å; P85-Y89 PolarHBondContact O-N 3.49Å; P86-Y89 WeakPolarHBondContact O-CB 3.38Å; P86-Y89 PolarHBondContact O-N 3.34Å; P86-Y89 VanDerWaalsContact O-N 3.14Å; V87-Y89 VanDerWaalsContact C-N 3.34Å; Y89-A91 PolarHBondContact O-N 3.36Å; Y89-T92 PolarHBondContact O-N 2.96Å; Y89-T92 VanDerWaalsContact O-N 3.15Å; Y89-L93 HydrophobicContact CD1-CD1 3.76Å; Y89-L93 HydrophobicContact CD1-CG 4.5Å; Y89-L93 HydrophobicContact CE1-CD1 3.57Å; Y89-L93 HydrophobicContact CE1-CG 4.31Å; Y89-L93 HydrophobicContact CE2-CG 4.47Å; Y89-L93 HydrophobicContact CG-CD1 4.36Å; Y89-L93 VanDerWaalsContact O-CG 3.3Å; Y89-L93 WeakPolarHBondContact O-CG 3.27Å; Y89-L93 PolarHBondContact O-N 3.31Å; Y89-V270 HydrophobicContact CD1-CG1 4.11Å; Y89-V270 HydrophobicContact CE1-CB 4.26Å; Y89-V270 HydrophobicContact CE1-CG1 3.91Å; Y89-T271 HydrophobicContact CD1-CG2 3.76Å; Y89-T271 HydrophobicContact CE1-CG2 3.94Å |
| 90 | D | 98.7 | Very high | 97 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.053 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.6 | -46.4 | 173.3 | -78.3 | -19.5 | 0 | 0 | 0 | 111.7 | P86 T92 L93 L94 R115 I123 | P86-D90 PolarHBondContact O-N 3.01Å; D90-T92 VanDerWaalsContact C-N 3.3Å; D90-T92 PolarHBondContact O-N 3.47Å; D90-L93 PolarHBondContact O-N 3.49Å; D90-L94 WeakPolarHBondContact O-CG 3.36Å; D90-L94 PolarHBondContact O-N 2.78Å; D90-R115 IonicContact OD1-CZ 3.23Å; D90-R115 IonicContact OD1-NE 2.94Å; D90-R115 IonicContact OD1-NH2 2.75Å; D90-R115 PolarHBondContact OD1-NH2 3.27Å; D90-R115 IonicContact OD2-CZ 2.8Å; D90-R115 IonicContact OD2-NE 3.32Å; D90-R115 PolarHBondContact OD2-NE 3.13Å; D90-R115 IonicContact OD2-NH2 3.54Å; D90-R115 PolarHBondContact OD2-NH2 3.13Å; D90-I123 HydrophobicContact CB-CD1 3.72Å; D90-I123 HydrophobicContact CB-CG1 3.84Å |
| 91 | A | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V87 L88 Y89 H95 I123 V126 Y127 F131 | V87-A91 WeakPolarHBondContact O-CB 3.38Å; V87-A91 PolarHBondContact O-N 2.91Å; L88-A91 PolarHBondContact O-N 3.47Å; Y89-A91 PolarHBondContact O-N 3.36Å; A91-H95 WeakPolarHBondContact O-CB 3.42Å; A91-H95 PolarHBondContact O-N 3.4Å; A91-I123 HydrophobicContact CB-CG2 4.3Å; A91-V126 HydrophobicContact CB-CB 4.42Å; A91-V126 HydrophobicContact CB-CG1 4.03Å; A91-Y127 HydrophobicContact CB-CD2 4.45Å; A91-Y127 WeakPolarHBondContact O-CD2 3.2Å; A91-F131 HydrophobicContact CB-CE2 4.31Å; A91-F131 WeakPolarHBondContact O-CE2 3.2Å |
| 92 | T | 98.3 | Very high | 95.8 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.6 | -39.8 | 176.9 | -59 | 0 | 0 | 0 | 0 | 111.7 | L88 Y89 D90 H95 K96 | L88-T92 VanDerWaalsContact O-CB 3.32Å; L88-T92 WeakPolarHBondContact O-CB 3.22Å; L88-T92 PolarHBondContact O-N 2.97Å; L88-T92 PolarHBondContact O-OG1 2.94Å; Y89-T92 PolarHBondContact O-N 2.96Å; Y89-T92 VanDerWaalsContact O-N 3.15Å; D90-T92 VanDerWaalsContact C-N 3.3Å; D90-T92 PolarHBondContact O-N 3.47Å; T92-H95 PolarHBondContact O-N 3.33Å; T92-K96 HydrophobicContact CG2-CD 4.44Å; T92-K96 WeakPolarHBondContact O-CG 3.5Å; T92-K96 PolarHBondContact O-N 2.79Å |
| 93 | L | 98.3 | Very high | 95.6 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 12% | 0.115 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 176 | -72 | 167.8 | 0 | 0 | 0 | 110.7 | Y89 D90 H95 K96 A97 V107 I111 R267 | Y89-L93 HydrophobicContact CD1-CD1 3.76Å; Y89-L93 HydrophobicContact CD1-CG 4.5Å; Y89-L93 HydrophobicContact CE1-CD1 3.57Å; Y89-L93 HydrophobicContact CE1-CG 4.31Å; Y89-L93 HydrophobicContact CE2-CG 4.47Å; Y89-L93 HydrophobicContact CG-CD1 4.36Å; Y89-L93 VanDerWaalsContact O-CG 3.3Å; Y89-L93 WeakPolarHBondContact O-CG 3.27Å; Y89-L93 PolarHBondContact O-N 3.31Å; D90-L93 PolarHBondContact O-N 3.49Å; L93-H95 VanDerWaalsContact C-N 3.34Å; L93-H95 PolarHBondContact O-N 3.01Å; L93-K96 PolarHBondContact O-N 3.44Å; L93-A97 WeakPolarHBondContact O-CB 3.39Å; L93-A97 PolarHBondContact O-N 2.59Å; L93-V107 HydrophobicContact CB-CG1 4.02Å; L93-I111 HydrophobicContact CB-CD1 3.85Å; L93-I111 HydrophobicContact CD1-CD1 4.21Å; L93-R267 HydrophobicContact CD1-CG 3.69Å |
| 94 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 175.6 | -68.4 | 175.3 | 0 | 0 | 0 | 112.2 | D90 K96 A97 V98 L108 I111 I123 L135 | D90-L94 WeakPolarHBondContact O-CG 3.36Å; D90-L94 PolarHBondContact O-N 2.78Å; L94-K96 PolarHBondContact O-N 2.69Å; L94-A97 WeakPolarHBondContact O-CB 3.46Å; L94-A97 PolarHBondContact O-N 3.19Å; L94-V98 WeakPolarHBondContact O-CG2 3.23Å; L94-V98 PolarHBondContact O-N 3.33Å; L94-V98 VanDerWaalsContact O-N 3.16Å; L94-L108 HydrophobicContact CD2-CD2 3.67Å; L94-I111 HydrophobicContact CD1-CG2 4.09Å; L94-I111 HydrophobicContact CD2-CB 4.09Å; L94-I111 HydrophobicContact CD2-CD1 3.95Å; L94-I111 HydrophobicContact CD2-CG2 4.15Å; L94-I111 HydrophobicContact CG-CD1 3.96Å; L94-I111 HydrophobicContact CG-CG2 4.26Å; L94-I123 HydrophobicContact CD1-CG2 3.59Å; L94-L135 HydrophobicContact CB-CD1 3.99Å; L94-L135 HydrophobicContact CD1-CD1 4.21Å; L94-L135 HydrophobicContact CD1-CD2 3.63Å |
| 95 | H | 97.6 | Very high | 95.4 | Very high | 53 Ų | 53 | 46.2 Ų | 46.2 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 176.6 | -179.9 | -86.9 | 0 | 0 | 0 | 111.8 | A91 T92 L93 A97 V98 K99 Y127 F131 | A91-H95 WeakPolarHBondContact O-CB 3.42Å; A91-H95 PolarHBondContact O-N 3.4Å; T92-H95 PolarHBondContact O-N 3.33Å; L93-H95 VanDerWaalsContact C-N 3.34Å; L93-H95 PolarHBondContact O-N 3.01Å; H95-A97 VanDerWaalsContact C-N 3.32Å; H95-V98 PolarHBondContact O-N 2.75Å; H95-K99 WeakPolarHBondContact O-CB 3.27Å; H95-K99 PolarHBondContact O-N 2.91Å; H95-Y127 HydrophobicContact CB-CD2 4.28Å; H95-Y127 HydrophobicContact CB-CE2 3.54Å; H95-Y127 AromaticContact CD2-CZ 3.85Å; H95-Y127 PolarHBondContact CD2-OH 2.92Å; H95-F131 HydrophobicContact CB-CD1 4.41Å; H95-F131 HydrophobicContact CB-CD2 3.83Å; H95-F131 HydrophobicContact CB-CE1 4.23Å; H95-F131 HydrophobicContact CB-CE2 3.64Å; H95-F131 HydrophobicContact CB-CG 4.23Å; H95-F131 HydrophobicContact CB-CZ 3.87Å; H95-F131 AromaticContact CD2-CD1 3.58Å; H95-F131 AromaticContact CD2-CD2 3.75Å; H95-F131 AromaticContact CD2-CG 3.33Å; H95-F131 WeakPolarHBondContact CD2-CG 3.32Å; H95-F131 AromaticContact CG-CD1 3.77Å; H95-F131 AromaticContact CG-CD2 3.92Å; H95-F131 AromaticContact CG-CE1 3.91Å; H95-F131 AromaticContact CG-CG 3.79Å; H95-F131 AromaticContact NE2-CD1 3.81Å; H95-F131 AromaticContact NE2-CG 3.91Å |
| 96 | K | 96.4 | Very high | 95.3 | Very high | 139 Ų | 139 | 49.6 Ų | 49.6 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.2 | -37.2 | 175.2 | -73.1 | 178.2 | 179.1 | -175.1 | 0 | 112 | T92 L93 L94 V98 G100 | T92-K96 HydrophobicContact CG2-CD 4.44Å; T92-K96 WeakPolarHBondContact O-CG 3.5Å; T92-K96 PolarHBondContact O-N 2.79Å; L93-K96 PolarHBondContact O-N 3.44Å; L94-K96 PolarHBondContact O-N 2.69Å; K96-V98 VanDerWaalsContact C-N 3.28Å; K96-V98 PolarHBondContact O-N 3.19Å; K96-G100 VanDerWaalsContact O-CA 3.32Å; K96-G100 WeakPolarHBondContact O-CA 3.2Å; K96-G100 PolarHBondContact O-N 3.12Å |
| 97 | A | 96.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.4 | -31.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L93 L94 H95 T103 D104 V107 L108 | L93-A97 WeakPolarHBondContact O-CB 3.39Å; L93-A97 PolarHBondContact O-N 2.59Å; L94-A97 WeakPolarHBondContact O-CB 3.46Å; L94-A97 PolarHBondContact O-N 3.19Å; H95-A97 VanDerWaalsContact C-N 3.32Å; A97-T103 CarbonylContact O-C 3.44Å; A97-T103 VanDerWaalsContact O-CA 3.29Å; A97-T103 WeakPolarHBondContact O-CA 3.27Å; A97-D104 HydrophobicContact CB-CB 3.93Å; A97-D104 PolarHBondContact O-N 2.9Å; A97-V107 HydrophobicContact CB-CB 3.99Å; A97-V107 HydrophobicContact CB-CG1 3.89Å; A97-L108 HydrophobicContact CB-CD2 4.01Å; A97-L108 HydrophobicContact CB-CG 4.24Å |
| 98 | V | 95.7 | Very high | 95.4 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -98.2 | -35.1 | 179.3 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | L94 H95 K96 L108 D138 I139 D142 | L94-V98 WeakPolarHBondContact O-CG2 3.23Å; L94-V98 PolarHBondContact O-N 3.33Å; L94-V98 VanDerWaalsContact O-N 3.16Å; H95-V98 PolarHBondContact O-N 2.75Å; K96-V98 VanDerWaalsContact C-N 3.28Å; K96-V98 PolarHBondContact O-N 3.19Å; V98-L108 HydrophobicContact CG1-CD1 4.37Å; V98-L108 HydrophobicContact CG1-CD2 3.96Å; V98-D138 HydrophobicContact CB-CB 4.44Å; V98-D138 HydrophobicContact CG2-CB 3.84Å; V98-I139 HydrophobicContact CG1-CG1 3.97Å; V98-D142 WeakPolarHBondContact CB-OD2 3.39Å |
| 99 | K | 92.1 | Very high | 95.4 | Very high | 95 Ų | 95 | 42.5 Ų | 42.5 | 41% | 0.413 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -96.7 | 9.8 | -179.2 | -56 | -48.3 | 179.4 | -160.4 | 0 | 114.5 | H95 D138 D142 | H95-K99 WeakPolarHBondContact O-CB 3.27Å; H95-K99 PolarHBondContact O-N 2.91Å; K99-D138 WeakPolarHBondContact CE-OD1 3.45Å; K99-D138 VanDerWaalsContact NZ-CG 3.32Å; K99-D138 IonicContact NZ-OD1 3.81Å; K99-D138 PolarHBondContact NZ-OD1 3.4Å; K99-D142 IonicContact NZ-OD2 3.12Å |
| 100 | G | 82.5 | Confident | 95.4 | Very high | 42 Ų | 42 | 41.6 Ų | 41.6 | 43% | 0.433 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -77.7 | -173.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K96 G102 | K96-G100 VanDerWaalsContact O-CA 3.32Å; K96-G100 WeakPolarHBondContact O-CA 3.2Å; K96-G100 PolarHBondContact O-N 3.12Å; G100-G102 CarbonylContact C-O 3.57Å; G100-G102 PolarHBondContact O-N 2.96Å; G100-G102 VanDerWaalsContact O-N 3.08Å |
| 101 | A | 80.7 | Confident | 95.4 | Very high | 120 Ų | 120 | 41.1 Ų | 41.1 | 99% | 0.992 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -76.7 | 90.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 102 | G | 89.3 | Confident | 95.4 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 57% | 0.567 | 25% | 0.247 | S | C | * | . | S | Bend | trans | 82.5 | 171.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G100 | G100-G102 CarbonylContact C-O 3.57Å; G100-G102 PolarHBondContact O-N 2.96Å; G100-G102 VanDerWaalsContact O-N 3.08Å |
| 103 | T | 94.4 | Very high | 95.4 | Very high | 48 Ų | 48 | 40.1 Ų | 40.1 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | trans | -87.5 | 130.1 | 179.7 | -51.9 | 0 | 0 | 0 | 0 | 110.3 | A97 D105 L108 D142 T143 | A97-T103 CarbonylContact O-C 3.44Å; A97-T103 VanDerWaalsContact O-CA 3.29Å; A97-T103 WeakPolarHBondContact O-CA 3.27Å; T103-D105 PolarHBondContact O-N 3.22Å; T103-L108 HydrophobicContact CG2-CD1 3.7Å; T103-D142 PolarHBondContact OG1-O 3.29Å; T103-T143 HydrophobicContact CG2-CG2 4.4Å | ||
| 104 | D | 96.8 | Very high | 95.4 | Very high | 69 Ų | 69 | 39.5 Ų | 39.5 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | trans | -90.9 | 86.2 | 169.8 | -172.1 | -21.2 | 0 | 0 | 0 | 109.9 | A97 Q106 V107 L108 | A97-D104 HydrophobicContact CB-CB 3.93Å; A97-D104 PolarHBondContact O-N 2.9Å; D104-Q106 VanDerWaalsContact C-N 3.25Å; D104-Q106 PolarHBondContact O-N 3.11Å; D104-Q106 PolarHBondContact OD1-N 3.09Å; D104-V107 HydrophobicContact CB-CB 4.43Å; D104-V107 HydrophobicContact CB-CG2 4.43Å; D104-V107 PolarHBondContact O-N 2.81Å; D104-V107 PolarHBondContact OD1-N 3.31Å; D104-V107 VanDerWaalsContact OD2-CG2 3.28Å; D104-V107 WeakPolarHBondContact OD2-CG2 3.44Å; D104-L108 PolarHBondContact O-N 3Å | ||
| 105 | D | 97.1 | Very high | 95.4 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.1 | -29.1 | -177.9 | -68.3 | -61.2 | 0 | 0 | 0 | 113 | T103 V107 L108 I109 Y147 N228 | T103-D105 PolarHBondContact O-N 3.22Å; D105-V107 PolarHBondContact O-N 3.02Å; D105-L108 PolarHBondContact O-N 2.91Å; D105-I109 HydrophobicContact CB-CD1 4.48Å; D105-I109 WeakPolarHBondContact O-CB 3.29Å; D105-I109 WeakPolarHBondContact O-CD1 3.34Å; D105-I109 WeakPolarHBondContact O-CG1 3.5Å; D105-I109 PolarHBondContact O-N 3.3Å; D105-Y147 VanDerWaalsContact CB-OH 3.32Å; D105-Y147 WeakPolarHBondContact CB-OH 3.41Å; D105-Y147 WeakPolarHBondContact OD1-CE1 3.49Å; D105-Y147 PolarHBondContact OD1-OH 2.94Å; D105-N228 PolarHBondContact OD1-ND2 3.37Å; D105-N228 PolarHBondContact OD2-ND2 2.85Å |
| 106 | Q | 96.9 | Very high | 95.3 | Very high | 115 Ų | 115 | 41.7 Ų | 41.7 | 54% | 0.537 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 179.9 | -66.3 | -175.9 | 3.7 | 0 | 0 | 111.2 | D104 I109 E110 | D104-Q106 VanDerWaalsContact C-N 3.25Å; D104-Q106 PolarHBondContact O-N 3.11Å; D104-Q106 PolarHBondContact OD1-N 3.09Å; Q106-I109 PolarHBondContact O-N 2.94Å; Q106-E110 VanDerWaalsContact O-CB 3.3Å; Q106-E110 WeakPolarHBondContact O-CB 3.22Å; Q106-E110 PolarHBondContact O-N 3.47Å |
| 107 | V | 98.2 | Very high | 95.3 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 174.7 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | L93 A97 D104 D105 I111 | L93-V107 HydrophobicContact CB-CG1 4.02Å; A97-V107 HydrophobicContact CB-CB 3.99Å; A97-V107 HydrophobicContact CB-CG1 3.89Å; D104-V107 HydrophobicContact CB-CB 4.43Å; D104-V107 HydrophobicContact CB-CG2 4.43Å; D104-V107 PolarHBondContact O-N 2.81Å; D104-V107 PolarHBondContact OD1-N 3.31Å; D104-V107 VanDerWaalsContact OD2-CG2 3.28Å; D104-V107 WeakPolarHBondContact OD2-CG2 3.44Å; D105-V107 PolarHBondContact O-N 3.02Å; V107-I111 HydrophobicContact CG1-CD1 3.76Å; V107-I111 WeakPolarHBondContact O-CB 3.32Å; V107-I111 WeakPolarHBondContact O-CG1 3.33Å; V107-I111 PolarHBondContact O-N 3.42Å; V107-I111 VanDerWaalsContact O-N 3.12Å |
| 108 | L | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 176.6 | -64.9 | -176.8 | 0 | 0 | 0 | 111.2 | L94 A97 V98 T103 D104 D105 L112 I139 T143 L151 | L94-L108 HydrophobicContact CD2-CD2 3.67Å; A97-L108 HydrophobicContact CB-CD2 4.01Å; A97-L108 HydrophobicContact CB-CG 4.24Å; V98-L108 HydrophobicContact CG1-CD1 4.37Å; V98-L108 HydrophobicContact CG1-CD2 3.96Å; T103-L108 HydrophobicContact CG2-CD1 3.7Å; D104-L108 PolarHBondContact O-N 3Å; D105-L108 PolarHBondContact O-N 2.91Å; L108-L112 VanDerWaalsContact O-CB 3.28Å; L108-L112 WeakPolarHBondContact O-CB 3.43Å; L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 2.75Å; L108-I139 HydrophobicContact CD2-CD1 4.19Å; L108-I139 HydrophobicContact CD2-CG1 4.26Å; L108-T143 HydrophobicContact CD1-CG2 4.1Å; L108-L151 HydrophobicContact CB-CD1 4.47Å; L108-L151 HydrophobicContact CB-CD2 4.28Å; L108-L151 HydrophobicContact CD1-CD1 4.08Å |
| 109 | I | 98.8 | Very high | 95.5 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -51.5 | -179.5 | -69.7 | 165.7 | 0 | 0 | 0 | 110.9 | D105 Q106 I111 A113 Y147 D231 L232 A235 | D105-I109 HydrophobicContact CB-CD1 4.48Å; D105-I109 WeakPolarHBondContact O-CB 3.29Å; D105-I109 WeakPolarHBondContact O-CD1 3.34Å; D105-I109 WeakPolarHBondContact O-CG1 3.5Å; D105-I109 PolarHBondContact O-N 3.3Å; Q106-I109 PolarHBondContact O-N 2.94Å; I109-I111 PolarHBondContact O-N 3.38Å; I109-A113 WeakPolarHBondContact O-CB 3.25Å; I109-A113 PolarHBondContact O-N 3.04Å; I109-Y147 HydrophobicContact CD1-CE2 4.06Å; I109-Y147 HydrophobicContact CG1-CE2 3.91Å; I109-D231 HydrophobicContact CD1-CB 3.76Å; I109-L232 HydrophobicContact CB-CD1 4.25Å; I109-L232 HydrophobicContact CD1-CB 4.36Å; I109-L232 HydrophobicContact CG1-CB 4Å; I109-L232 HydrophobicContact CG1-CD1 3.99Å; I109-L232 HydrophobicContact CG2-CD1 4.07Å; I109-A235 HydrophobicContact CG2-CB 3.42Å; I109-A235 VanDerWaalsContact CG2-CB 3.42Å |
| 110 | E | 98.7 | Very high | 95.8 | Very high | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | -177.3 | -173.8 | -167.3 | 110 | 0 | 0 | 111.7 | Q106 S114 F246 F247 R267 | Q106-E110 VanDerWaalsContact O-CB 3.3Å; Q106-E110 WeakPolarHBondContact O-CB 3.22Å; Q106-E110 PolarHBondContact O-N 3.47Å; E110-S114 WeakPolarHBondContact O-CB 3.49Å; E110-S114 PolarHBondContact O-N 2.55Å; E110-S114 PolarHBondContact O-OG 2.82Å; E110-F246 HydrophobicContact CB-CZ 4.43Å; E110-F246 HydrophobicContact CG-CE1 3.91Å; E110-F246 HydrophobicContact CG-CZ 4.14Å; E110-F247 HydrophobicContact CG-CE1 3.8Å; E110-R267 VanDerWaalsContact CD-NE 3.27Å; E110-R267 WeakPolarHBondContact OE1-CD 3.24Å; E110-R267 IonicContact OE1-CZ 3.74Å; E110-R267 IonicContact OE1-NE 3.51Å; E110-R267 PolarHBondContact OE1-NE 2.89Å; E110-R267 IonicContact OE1-NH2 3.36Å; E110-R267 IonicContact OE2-CZ 3.33Å; E110-R267 IonicContact OE2-NE 2.79Å; E110-R267 PolarHBondContact OE2-NE 2.7Å; E110-R267 VanDerWaalsContact OE2-NE 3.13Å; E110-R267 IonicContact OE2-NH2 2.74Å; E110-R267 PolarHBondContact OE2-NH2 2.86Å |
| 111 | I | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -72.1 | -49.4 | -176.6 | -64.6 | 176.1 | 0 | 0 | 0 | 110.4 | L93 L94 V107 I109 A113 S114 R115 I123 | L93-I111 HydrophobicContact CB-CD1 3.85Å; L93-I111 HydrophobicContact CD1-CD1 4.21Å; L94-I111 HydrophobicContact CD1-CG2 4.09Å; L94-I111 HydrophobicContact CD2-CB 4.09Å; L94-I111 HydrophobicContact CD2-CD1 3.95Å; L94-I111 HydrophobicContact CD2-CG2 4.15Å; L94-I111 HydrophobicContact CG-CD1 3.96Å; L94-I111 HydrophobicContact CG-CG2 4.26Å; V107-I111 HydrophobicContact CG1-CD1 3.76Å; V107-I111 WeakPolarHBondContact O-CB 3.32Å; V107-I111 WeakPolarHBondContact O-CG1 3.33Å; V107-I111 PolarHBondContact O-N 3.42Å; V107-I111 VanDerWaalsContact O-N 3.12Å; I109-I111 PolarHBondContact O-N 3.38Å; I111-A113 PolarHBondContact O-N 2.9Å; I111-S114 PolarHBondContact O-N 3.06Å; I111-R115 HydrophobicContact CG2-CG 3.9Å; I111-R115 WeakPolarHBondContact O-CB 3.37Å; I111-R115 WeakPolarHBondContact O-CG 3.26Å; I111-R115 PolarHBondContact O-N 3.24Å; I111-R115 VanDerWaalsContact O-N 3.13Å; I111-I123 HydrophobicContact CG2-CD1 4.34Å |
| 112 | L | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.9 | -26.4 | -173.9 | -63.2 | -176 | 0 | 0 | 0 | 113.5 | L108 I120 I139 L151 L154 L155 | L108-L112 VanDerWaalsContact O-CB 3.28Å; L108-L112 WeakPolarHBondContact O-CB 3.43Å; L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 2.75Å; L112-I120 HydrophobicContact CD2-CD1 3.56Å; L112-I139 HydrophobicContact CD1-CD1 3.81Å; L112-L151 HydrophobicContact CB-CD2 4.46Å; L112-L151 HydrophobicContact CD1-CB 4.03Å; L112-L151 HydrophobicContact CD1-CD2 3.68Å; L112-L151 HydrophobicContact CD1-CG 4.39Å; L112-L154 HydrophobicContact CB-CB 4.16Å; L112-L154 HydrophobicContact CB-CD1 4.19Å; L112-L155 HydrophobicContact CD2-CD1 3.93Å |
| 113 | A | 98.4 | Very high | 97.8 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -79.7 | -30.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I109 I111 A235 V236 C239 | I109-A113 WeakPolarHBondContact O-CB 3.25Å; I109-A113 PolarHBondContact O-N 3.04Å; I111-A113 PolarHBondContact O-N 2.9Å; A113-A235 HydrophobicContact CB-CB 3.76Å; A113-V236 HydrophobicContact CB-CG2 4.05Å; A113-C239 WeakPolarHBondContact O-CB 3.3Å |
| 114 | S | 98.4 | Very high | 98 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -101.1 | -20.1 | -169.4 | 70.2 | 0 | 0 | 0 | 0 | 115.6 | E110 I111 F247 | E110-S114 WeakPolarHBondContact O-CB 3.49Å; E110-S114 PolarHBondContact O-N 2.55Å; E110-S114 PolarHBondContact O-OG 2.82Å; I111-S114 PolarHBondContact O-N 3.06Å; S114-F247 WeakPolarHBondContact OG-CZ 3.28Å |
| 115 | R | 98 | Very high | 98.1 | Very high | 17 Ų | 17 | 39.6 Ų | 39.6 | 6% | 0.064 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -83.1 | 143.8 | -178.9 | -64 | -60.6 | -177.8 | -90.3 | -1.5 | 111.1 | D90 I111 Q119 I120 I123 | D90-R115 IonicContact OD1-CZ 3.23Å; D90-R115 IonicContact OD1-NE 2.94Å; D90-R115 IonicContact OD1-NH2 2.75Å; D90-R115 PolarHBondContact OD1-NH2 3.27Å; D90-R115 IonicContact OD2-CZ 2.8Å; D90-R115 IonicContact OD2-NE 3.32Å; D90-R115 PolarHBondContact OD2-NE 3.13Å; D90-R115 IonicContact OD2-NH2 3.54Å; D90-R115 PolarHBondContact OD2-NH2 3.13Å; I111-R115 HydrophobicContact CG2-CG 3.9Å; I111-R115 WeakPolarHBondContact O-CB 3.37Å; I111-R115 WeakPolarHBondContact O-CG 3.26Å; I111-R115 PolarHBondContact O-N 3.24Å; I111-R115 VanDerWaalsContact O-N 3.13Å; R115-Q119 HydrophobicContact CB-CB 4.04Å; R115-I120 HydrophobicContact CB-CD1 3.73Å; R115-I120 HydrophobicContact CB-CG1 3.93Å; R115-I120 HydrophobicContact CG-CD1 4.46Å; R115-I123 HydrophobicContact CG-CD1 4.09Å |
| 116 | T | 96.5 | Very high | 98.1 | Very high | 81 Ų | 81 | 39.6 Ų | 39.6 | 50% | 0.497 | 21% | 0.21 | S | C | . | . | trans | -68.4 | 160.5 | 173.7 | 60.8 | 0 | 0 | 0 | 0 | 111.3 | D118 Q119 I120 | T116-D118 PolarHBondContact O-N 3.23Å; T116-Q119 WeakPolarHBondContact O-CB 3.42Å; T116-Q119 PolarHBondContact O-N 3.49Å; T116-Q119 VanDerWaalsContact O-N 3.13Å; T116-Q119 WeakPolarHBondContact OG1-CB 3.3Å; T116-Q119 VanDerWaalsContact OG1-CG 3.25Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.13Å; T116-Q119 PolarHBondContact OG1-N 2.7Å; T116-Q119 PolarHBondContact OG1-OE1 2.81Å; T116-I120 WeakPolarHBondContact O-CG1 3.39Å; T116-I120 PolarHBondContact O-N 2.92Å | ||
| 117 | G | 96.7 | Very high | 98.2 | Very high | 26 Ų | 26 | 34.1 Ų | 34.1 | 27% | 0.268 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -56 | -38.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | I120 K121 G157 | G117-I120 PolarHBondContact O-N 3.43Å; G117-K121 VanDerWaalsContact O-CG 3.3Å; G117-K121 WeakPolarHBondContact O-CG 3.3Å; G117-K121 PolarHBondContact O-N 3.12Å; G117-G157 WeakPolarHBondContact CA-O 3.28Å |
| 118 | D | 97.2 | Very high | 98.2 | Very high | 113 Ų | 113 | 40 Ų | 40 | 60% | 0.604 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -69.9 | -41.3 | 177.3 | -71.6 | -16.2 | 0 | 0 | 0 | 112.5 | T116 I120 K121 D122 | T116-D118 PolarHBondContact O-N 3.23Å; D118-I120 VanDerWaalsContact C-N 3.33Å; D118-I120 PolarHBondContact O-N 3.26Å; D118-K121 PolarHBondContact O-N 3.4Å; D118-K121 IonicContact OD1-NZ 3.46Å; D118-D122 PolarHBondContact O-N 3.31Å |
| 119 | Q | 98.3 | Very high | 98.2 | Very high | 66 Ų | 66 | 47.8 Ų | 47.8 | 31% | 0.308 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 172.7 | -74.3 | 169.5 | -41.9 | 0 | 0 | 111.2 | R115 T116 K121 D122 I123 | R115-Q119 HydrophobicContact CB-CB 4.04Å; T116-Q119 WeakPolarHBondContact O-CB 3.42Å; T116-Q119 PolarHBondContact O-N 3.49Å; T116-Q119 VanDerWaalsContact O-N 3.13Å; T116-Q119 WeakPolarHBondContact OG1-CB 3.3Å; T116-Q119 VanDerWaalsContact OG1-CG 3.25Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.13Å; T116-Q119 PolarHBondContact OG1-N 2.7Å; T116-Q119 PolarHBondContact OG1-OE1 2.81Å; Q119-K121 PolarHBondContact O-N 3.25Å; Q119-D122 PolarHBondContact O-N 3.16Å; Q119-I123 WeakPolarHBondContact O-CB 3.31Å; Q119-I123 WeakPolarHBondContact O-CD1 3.38Å; Q119-I123 WeakPolarHBondContact O-CG1 3.37Å; Q119-I123 PolarHBondContact O-N 2.95Å |
| 120 | I | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.015 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 177.4 | -70.6 | -61.6 | 0 | 0 | 0 | 112.1 | L112 R115 T116 G117 D118 D122 I123 S124 L155 | L112-I120 HydrophobicContact CD2-CD1 3.56Å; R115-I120 HydrophobicContact CB-CD1 3.73Å; R115-I120 HydrophobicContact CB-CG1 3.93Å; R115-I120 HydrophobicContact CG-CD1 4.46Å; T116-I120 WeakPolarHBondContact O-CG1 3.39Å; T116-I120 PolarHBondContact O-N 2.92Å; G117-I120 PolarHBondContact O-N 3.43Å; D118-I120 VanDerWaalsContact C-N 3.33Å; D118-I120 PolarHBondContact O-N 3.26Å; I120-D122 VanDerWaalsContact C-N 3.34Å; I120-D122 PolarHBondContact O-N 2.96Å; I120-I123 HydrophobicContact CD1-CD1 4.47Å; I120-I123 PolarHBondContact O-N 3.29Å; I120-S124 WeakPolarHBondContact O-CB 3.29Å; I120-S124 PolarHBondContact O-N 3.2Å; I120-S124 PolarHBondContact O-OG 3.24Å; I120-L155 HydrophobicContact CG2-CD1 4.14Å; I120-L155 WeakPolarHBondContact CG2-O 3.39Å |
| 121 | K | 98.3 | Very high | 98 | Very high | 89 Ų | 89 | 54.4 Ų | 54.4 | 39% | 0.387 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 175.9 | -71.2 | 166.4 | -166.5 | 157.4 | 0 | 111.4 | G117 D118 Q119 S124 K125 G157 | G117-K121 VanDerWaalsContact O-CG 3.3Å; G117-K121 WeakPolarHBondContact O-CG 3.3Å; G117-K121 PolarHBondContact O-N 3.12Å; D118-K121 PolarHBondContact O-N 3.4Å; D118-K121 IonicContact OD1-NZ 3.46Å; Q119-K121 PolarHBondContact O-N 3.25Å; K121-S124 PolarHBondContact O-N 3.24Å; K121-K125 VanDerWaalsContact O-CG 3.3Å; K121-K125 WeakPolarHBondContact O-CG 3.37Å; K121-K125 PolarHBondContact O-N 2.98Å; K121-K125 VanDerWaalsContact O-N 3.09Å; K121-G157 WeakPolarHBondContact CE-O 3.43Å; K121-G157 PolarHBondContact NZ-O 3.45Å |
| 122 | D | 98.5 | Very high | 97.6 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -71 | -40.3 | 179.2 | -74.7 | -13.7 | 0 | 0 | 0 | 112.5 | V87 D118 Q119 I120 S124 K125 V126 | V87-D122 HydrophobicContact CG1-CB 4.07Å; D118-D122 PolarHBondContact O-N 3.31Å; Q119-D122 PolarHBondContact O-N 3.16Å; I120-D122 VanDerWaalsContact C-N 3.34Å; I120-D122 PolarHBondContact O-N 2.96Å; D122-S124 VanDerWaalsContact C-N 3.32Å; D122-S124 PolarHBondContact O-N 3.31Å; D122-K125 PolarHBondContact O-N 3.5Å; D122-K125 IonicContact OD1-NZ 2.71Å; D122-K125 PolarHBondContact OD1-NZ 3.22Å; D122-V126 WeakPolarHBondContact O-CG2 3.33Å; D122-V126 PolarHBondContact O-N 3.37Å |
| 123 | I | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.4 | -48.1 | 171.5 | -70.5 | 163 | 0 | 0 | 0 | 109.9 | V87 D90 A91 L94 I111 R115 Q119 I120 K125 V126 Y127 L135 | V87-I123 HydrophobicContact CG1-CG1 4.04Å; D90-I123 HydrophobicContact CB-CD1 3.72Å; D90-I123 HydrophobicContact CB-CG1 3.84Å; A91-I123 HydrophobicContact CB-CG2 4.3Å; L94-I123 HydrophobicContact CD1-CG2 3.59Å; I111-I123 HydrophobicContact CG2-CD1 4.34Å; R115-I123 HydrophobicContact CG-CD1 4.09Å; Q119-I123 WeakPolarHBondContact O-CB 3.31Å; Q119-I123 WeakPolarHBondContact O-CD1 3.38Å; Q119-I123 WeakPolarHBondContact O-CG1 3.37Å; Q119-I123 PolarHBondContact O-N 2.95Å; I120-I123 HydrophobicContact CD1-CD1 4.47Å; I120-I123 PolarHBondContact O-N 3.29Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 2.9Å; I123-V126 PolarHBondContact O-N 3.35Å; I123-Y127 VanDerWaalsContact O-CB 3.28Å; I123-Y127 WeakPolarHBondContact O-CB 3.31Å; I123-Y127 PolarHBondContact O-N 3.32Å; I123-L135 HydrophobicContact CG2-CD2 4.1Å |
| 124 | S | 98.3 | Very high | 96.9 | Very high | 35 Ų | 35 | 64.8 Ų | 64.8 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62 | -39 | 179.8 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | I120 K121 D122 K128 | I120-S124 WeakPolarHBondContact O-CB 3.29Å; I120-S124 PolarHBondContact O-N 3.2Å; I120-S124 PolarHBondContact O-OG 3.24Å; K121-S124 PolarHBondContact O-N 3.24Å; D122-S124 VanDerWaalsContact C-N 3.32Å; D122-S124 PolarHBondContact O-N 3.31Å; S124-K128 WeakPolarHBondContact O-CB 3.4Å; S124-K128 PolarHBondContact O-N 2.92Å; S124-K128 VanDerWaalsContact O-N 3.14Å |
| 125 | K | 98.3 | Very high | 96.8 | Very high | 130 Ų | 130 | 64.6 Ų | 64.6 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.6 | -47.4 | 174.8 | -69.6 | 168.2 | -159.4 | 157.4 | 0 | 111.4 | K121 D122 I123 K128 K129 | K121-K125 VanDerWaalsContact O-CG 3.3Å; K121-K125 WeakPolarHBondContact O-CG 3.37Å; K121-K125 PolarHBondContact O-N 2.98Å; K121-K125 VanDerWaalsContact O-N 3.09Å; D122-K125 PolarHBondContact O-N 3.5Å; D122-K125 IonicContact OD1-NZ 2.71Å; D122-K125 PolarHBondContact OD1-NZ 3.22Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 2.9Å; K125-K128 PolarHBondContact O-N 2.93Å; K125-K129 PolarHBondContact O-N 3.28Å; K125-K129 VanDerWaalsContact O-N 3.09Å |
| 126 | V | 98.5 | Very high | 96.7 | Very high | 36 Ų | 36 | 67.9 Ų | 67.9 | 22% | 0.218 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.9 | -44.9 | -179.8 | 171.9 | 0 | 0 | 0 | 0 | 110.7 | V87 L88 A91 D122 I123 K128 K129 E130 | V87-V126 HydrophobicContact CB-CG2 4.38Å; V87-V126 HydrophobicContact CG1-CB 4.01Å; V87-V126 HydrophobicContact CG1-CG2 3.61Å; L88-V126 HydrophobicContact CB-CG1 4.22Å; L88-V126 HydrophobicContact CD1-CG1 3.79Å; A91-V126 HydrophobicContact CB-CB 4.42Å; A91-V126 HydrophobicContact CB-CG1 4.03Å; D122-V126 WeakPolarHBondContact O-CG2 3.33Å; D122-V126 PolarHBondContact O-N 3.37Å; I123-V126 PolarHBondContact O-N 3.35Å; V126-K128 VanDerWaalsContact C-N 3.32Å; V126-K128 PolarHBondContact O-N 2.97Å; V126-K129 WeakPolarHBondContact O-CB 3.11Å; V126-K129 PolarHBondContact O-N 3.49Å; V126-K129 VanDerWaalsContact O-N 3.09Å; V126-E130 HydrophobicContact CG1-CG 3.99Å; V126-E130 VanDerWaalsContact O-CG 3.3Å; V126-E130 WeakPolarHBondContact O-CG 3.4Å; V126-E130 PolarHBondContact O-N 2.92Å |
| 127 | Y | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -53 | -50.3 | 175.4 | -173.4 | -77.7 | 0 | 0 | 0 | 111.6 | A91 H95 I123 K129 E130 F131 L135 D138 | A91-Y127 HydrophobicContact CB-CD2 4.45Å; A91-Y127 WeakPolarHBondContact O-CD2 3.2Å; H95-Y127 HydrophobicContact CB-CD2 4.28Å; H95-Y127 HydrophobicContact CB-CE2 3.54Å; H95-Y127 AromaticContact CD2-CZ 3.85Å; H95-Y127 PolarHBondContact CD2-OH 2.92Å; I123-Y127 VanDerWaalsContact O-CB 3.28Å; I123-Y127 WeakPolarHBondContact O-CB 3.31Å; I123-Y127 PolarHBondContact O-N 3.32Å; Y127-K129 VanDerWaalsContact C-N 3.31Å; Y127-K129 PolarHBondContact O-N 3.36Å; Y127-E130 PolarHBondContact O-N 3.2Å; Y127-F131 HydrophobicContact CD1-CD2 4.2Å; Y127-F131 AromaticContact CD2-CD2 3.72Å; Y127-F131 HydrophobicContact CD2-CD2 3.72Å; Y127-F131 HydrophobicContact CD2-CE2 4.08Å; Y127-F131 HydrophobicContact CE1-CB 4.34Å; Y127-F131 HydrophobicContact CE1-CD2 4.38Å; Y127-F131 AromaticContact CE2-CD2 3.95Å; Y127-F131 HydrophobicContact CE2-CD2 3.95Å; Y127-F131 HydrophobicContact CE2-CE2 4.43Å; Y127-F131 AromaticContact CG-CD2 3.86Å; Y127-F131 HydrophobicContact CG-CD2 3.86Å; Y127-F131 HydrophobicContact CG-CE2 4.5Å; Y127-F131 WeakPolarHBondContact O-CD2 3.34Å; Y127-F131 PolarHBondContact O-N 3.45Å; Y127-L135 HydrophobicContact CD1-CB 3.8Å; Y127-L135 HydrophobicContact CD2-CB 4.23Å; Y127-L135 HydrophobicContact CD2-CD1 3.86Å; Y127-L135 HydrophobicContact CD2-CD2 4.4Å; Y127-L135 HydrophobicContact CD2-CG 4.39Å; Y127-L135 HydrophobicContact CE1-CB 4.12Å; Y127-L135 HydrophobicContact CE2-CB 4.49Å; Y127-L135 HydrophobicContact CE2-CD1 3.67Å; Y127-L135 HydrophobicContact CG-CB 3.87Å; Y127-L135 HydrophobicContact CG-CD1 4.38Å; Y127-L135 HydrophobicContact CG-CD2 4.5Å; Y127-L135 HydrophobicContact CG-CG 4.48Å; Y127-D138 WeakPolarHBondContact CE1-OD2 3.46Å; Y127-D138 PolarHBondContact OH-OD2 3.23Å |
| 128 | K | 97.8 | Very high | 96.7 | Very high | 127 Ų | 127 | 71 Ų | 71 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | 178.7 | -178 | -177.5 | 177.2 | -173.2 | 0 | 112.2 | S124 K125 V126 G132 G133 | S124-K128 WeakPolarHBondContact O-CB 3.4Å; S124-K128 PolarHBondContact O-N 2.92Å; S124-K128 VanDerWaalsContact O-N 3.14Å; K125-K128 PolarHBondContact O-N 2.93Å; V126-K128 VanDerWaalsContact C-N 3.32Å; V126-K128 PolarHBondContact O-N 2.97Å; K128-G132 VanDerWaalsContact O-CA 3.26Å; K128-G132 WeakPolarHBondContact O-CA 3.13Å; K128-G132 PolarHBondContact O-N 3.35Å; K128-G133 WeakPolarHBondContact CA-O 3.36Å |
| 129 | K | 98.2 | Very high | 96.7 | Very high | 164 Ų | 164 | 65.6 Ų | 65.6 | 71% | 0.713 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.9 | -43.5 | 179.9 | -178.9 | -170.6 | 168.7 | -157.1 | 0 | 111.7 | K125 V126 Y127 | K125-K129 PolarHBondContact O-N 3.28Å; K125-K129 VanDerWaalsContact O-N 3.09Å; V126-K129 WeakPolarHBondContact O-CB 3.11Å; V126-K129 PolarHBondContact O-N 3.49Å; V126-K129 VanDerWaalsContact O-N 3.09Å; Y127-K129 VanDerWaalsContact C-N 3.31Å; Y127-K129 PolarHBondContact O-N 3.36Å |
| 130 | E | 97.9 | Very high | 96.6 | Very high | 91 Ų | 91 | 65.4 Ų | 65.4 | 43% | 0.425 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -88.1 | -31.7 | -169.8 | -59.7 | -65.2 | 145 | 0 | 0 | 112.9 | L88 V126 Y127 | L88-E130 HydrophobicContact CD1-CB 4.35Å; L88-E130 HydrophobicContact CD1-CG 3.65Å; V126-E130 HydrophobicContact CG1-CG 3.99Å; V126-E130 VanDerWaalsContact O-CG 3.3Å; V126-E130 WeakPolarHBondContact O-CG 3.4Å; V126-E130 PolarHBondContact O-N 2.92Å; Y127-E130 PolarHBondContact O-N 3.2Å |
| 131 | F | 96.4 | Very high | 96.4 | Very high | 69 Ų | 69 | 68.8 Ų | 68.8 | 30% | 0.303 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -114.3 | -5.2 | -175.3 | -50.2 | -63 | 0 | 0 | 0 | 113.9 | A91 H95 Y127 G133 | A91-F131 HydrophobicContact CB-CE2 4.31Å; A91-F131 WeakPolarHBondContact O-CE2 3.2Å; H95-F131 HydrophobicContact CB-CD1 4.41Å; H95-F131 HydrophobicContact CB-CD2 3.83Å; H95-F131 HydrophobicContact CB-CE1 4.23Å; H95-F131 HydrophobicContact CB-CE2 3.64Å; H95-F131 HydrophobicContact CB-CG 4.23Å; H95-F131 HydrophobicContact CB-CZ 3.87Å; H95-F131 AromaticContact CD2-CD1 3.58Å; H95-F131 AromaticContact CD2-CD2 3.75Å; H95-F131 AromaticContact CD2-CG 3.33Å; H95-F131 WeakPolarHBondContact CD2-CG 3.32Å; H95-F131 AromaticContact CG-CD1 3.77Å; H95-F131 AromaticContact CG-CD2 3.92Å; H95-F131 AromaticContact CG-CE1 3.91Å; H95-F131 AromaticContact CG-CG 3.79Å; H95-F131 AromaticContact NE2-CD1 3.81Å; H95-F131 AromaticContact NE2-CG 3.91Å; Y127-F131 HydrophobicContact CD1-CD2 4.2Å; Y127-F131 AromaticContact CD2-CD2 3.72Å; Y127-F131 HydrophobicContact CD2-CD2 3.72Å; Y127-F131 HydrophobicContact CD2-CE2 4.08Å; Y127-F131 HydrophobicContact CE1-CB 4.34Å; Y127-F131 HydrophobicContact CE1-CD2 4.38Å; Y127-F131 AromaticContact CE2-CD2 3.95Å; Y127-F131 HydrophobicContact CE2-CD2 3.95Å; Y127-F131 HydrophobicContact CE2-CE2 4.43Å; Y127-F131 AromaticContact CG-CD2 3.86Å; Y127-F131 HydrophobicContact CG-CD2 3.86Å; Y127-F131 HydrophobicContact CG-CE2 4.5Å; Y127-F131 WeakPolarHBondContact O-CD2 3.34Å; Y127-F131 PolarHBondContact O-N 3.45Å; F131-G133 PolarHBondContact O-N 3.34Å |
| 132 | G | 89.9 | Confident | 96.2 | Very high | 67 Ų | 67 | 67.1 Ų | 67.1 | 69% | 0.691 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 71.6 | -18.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | K128 | K128-G132 VanDerWaalsContact O-CA 3.26Å; K128-G132 WeakPolarHBondContact O-CA 3.13Å; K128-G132 PolarHBondContact O-N 3.35Å |
| 133 | G | 86.9 | Confident | 96.1 | Very high | 23 Ų | 23 | 64.8 Ų | 64.8 | 24% | 0.237 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -80.6 | 169.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K128 F131 | K128-G133 WeakPolarHBondContact CA-O 3.36Å; F131-G133 PolarHBondContact O-N 3.34Å |
| 134 | K | 94.6 | Very high | 95.9 | Very high | 143 Ų | 143 | 67.2 Ų | 67.2 | 62% | 0.622 | 37% | 0.365 | S | S | * | . | trans | -99 | 120.4 | 167.1 | -70.4 | -174.3 | 179.9 | -175.5 | 0 | 107.7 | E136 K137 D138 | K134-E136 PolarHBondContact O-N 3.13Å; K134-K137 HydrophobicContact CB-CB 3.97Å; K134-K137 WeakPolarHBondContact O-CA 3.26Å; K134-K137 WeakPolarHBondContact O-CB 3.42Å; K134-K137 PolarHBondContact O-N 3.47Å; K134-D138 PolarHBondContact O-N 2.87Å | ||
| 135 | L | 96.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -50.9 | -43.2 | 178.9 | 177.7 | 54.7 | 0 | 0 | 0 | 112.4 | L94 I123 Y127 K137 D138 I139 L155 | L94-L135 HydrophobicContact CB-CD1 3.99Å; L94-L135 HydrophobicContact CD1-CD1 4.21Å; L94-L135 HydrophobicContact CD1-CD2 3.63Å; I123-L135 HydrophobicContact CG2-CD2 4.1Å; Y127-L135 HydrophobicContact CD1-CB 3.8Å; Y127-L135 HydrophobicContact CD2-CB 4.23Å; Y127-L135 HydrophobicContact CD2-CD1 3.86Å; Y127-L135 HydrophobicContact CD2-CD2 4.4Å; Y127-L135 HydrophobicContact CD2-CG 4.39Å; Y127-L135 HydrophobicContact CE1-CB 4.12Å; Y127-L135 HydrophobicContact CE2-CB 4.49Å; Y127-L135 HydrophobicContact CE2-CD1 3.67Å; Y127-L135 HydrophobicContact CG-CB 3.87Å; Y127-L135 HydrophobicContact CG-CD1 4.38Å; Y127-L135 HydrophobicContact CG-CD2 4.5Å; Y127-L135 HydrophobicContact CG-CG 4.48Å; L135-K137 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 3.07Å; L135-D138 PolarHBondContact O-N 3.09Å; L135-I139 HydrophobicContact CD1-CD1 3.79Å; L135-I139 HydrophobicContact CD1-CG1 4.06Å; L135-I139 HydrophobicContact CG-CD1 4.08Å; L135-I139 WeakPolarHBondContact O-CG1 3.23Å; L135-I139 PolarHBondContact O-N 2.99Å; L135-L155 HydrophobicContact CD2-CD1 3.51Å; L135-L155 HydrophobicContact CG-CD1 3.87Å; L135-L155 HydrophobicContact CG-CD2 4.1Å |
| 136 | E | 97.2 | Very high | 95.8 | Very high | 87 Ų | 87 | 63.2 Ų | 63.2 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.9 | -40.4 | 176.4 | -171 | -175 | 127.6 | 0 | 0 | 112.9 | K134 S140 V152 L155 Q156 | K134-E136 PolarHBondContact O-N 3.13Å; E136-S140 WeakPolarHBondContact O-CB 3.32Å; E136-S140 PolarHBondContact O-N 2.97Å; E136-S140 PolarHBondContact O-OG 3.47Å; E136-V152 HydrophobicContact CG-CG1 4.09Å; E136-V152 HydrophobicContact CG-CG2 4.29Å; E136-L155 HydrophobicContact CB-CD2 3.54Å; E136-L155 HydrophobicContact CG-CD2 4.07Å; E136-Q156 PolarHBondContact OE2-NE2 3.35Å |
| 137 | K | 96.8 | Very high | 95.7 | Very high | 152 Ų | 152 | 62.4 Ų | 62.4 | 66% | 0.661 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.7 | -41.7 | 179.2 | -177.9 | -176.7 | 174.8 | -174.8 | 0 | 110.8 | K134 L135 S140 S141 | K134-K137 HydrophobicContact CB-CB 3.97Å; K134-K137 WeakPolarHBondContact O-CA 3.26Å; K134-K137 WeakPolarHBondContact O-CB 3.42Å; K134-K137 PolarHBondContact O-N 3.47Å; L135-K137 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 3.07Å; K137-S140 PolarHBondContact O-N 2.96Å; K137-S141 PolarHBondContact O-N 3.41Å; K137-S141 PolarHBondContact O-OG 2.98Å |
| 138 | D | 96.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 62.7 Ų | 62.7 | 11% | 0.107 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.9 | -43.4 | 179.3 | -67.2 | -33.9 | 0 | 0 | 0 | 111.1 | V98 K99 Y127 K134 L135 S140 S141 D142 | V98-D138 HydrophobicContact CB-CB 4.44Å; V98-D138 HydrophobicContact CG2-CB 3.84Å; K99-D138 WeakPolarHBondContact CE-OD1 3.45Å; K99-D138 VanDerWaalsContact NZ-CG 3.32Å; K99-D138 IonicContact NZ-OD1 3.81Å; K99-D138 PolarHBondContact NZ-OD1 3.4Å; Y127-D138 WeakPolarHBondContact CE1-OD2 3.46Å; Y127-D138 PolarHBondContact OH-OD2 3.23Å; K134-D138 PolarHBondContact O-N 2.87Å; L135-D138 PolarHBondContact O-N 3.09Å; D138-S140 VanDerWaalsContact C-N 3.33Å; D138-S140 PolarHBondContact O-N 3.44Å; D138-S141 PolarHBondContact O-N 3.07Å; D138-S141 PolarHBondContact O-OG 3.42Å; D138-D142 PolarHBondContact O-N 3.15Å |
| 139 | I | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 173.5 | -70.9 | 177.4 | 0 | 0 | 0 | 110.8 | V98 L108 L112 L135 S141 D142 T143 L151 L155 | V98-I139 HydrophobicContact CG1-CG1 3.97Å; L108-I139 HydrophobicContact CD2-CD1 4.19Å; L108-I139 HydrophobicContact CD2-CG1 4.26Å; L112-I139 HydrophobicContact CD1-CD1 3.81Å; L135-I139 HydrophobicContact CD1-CD1 3.79Å; L135-I139 HydrophobicContact CD1-CG1 4.06Å; L135-I139 HydrophobicContact CG-CD1 4.08Å; L135-I139 WeakPolarHBondContact O-CG1 3.23Å; L135-I139 PolarHBondContact O-N 2.99Å; I139-S141 VanDerWaalsContact C-N 3.29Å; I139-S141 PolarHBondContact O-N 3.3Å; I139-D142 PolarHBondContact O-N 3.44Å; I139-T143 HydrophobicContact CG2-CG2 4.4Å; I139-T143 WeakPolarHBondContact O-CB 3.3Å; I139-T143 PolarHBondContact O-N 2.93Å; I139-T143 PolarHBondContact O-OG1 3.29Å; I139-L151 HydrophobicContact CG2-CB 3.93Å; I139-L151 HydrophobicContact CG2-CD1 3.84Å; I139-L155 HydrophobicContact CD1-CD2 4.24Å |
| 140 | S | 96.1 | Very high | 95.8 | Very high | 61 Ų | 61 | 54.5 Ų | 54.5 | 43% | 0.427 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.6 | -21.5 | -179.2 | -60.7 | 0 | 0 | 0 | 0 | 113.8 | E136 K137 D138 V152 | E136-S140 WeakPolarHBondContact O-CB 3.32Å; E136-S140 PolarHBondContact O-N 2.97Å; E136-S140 PolarHBondContact O-OG 3.47Å; K137-S140 PolarHBondContact O-N 2.96Å; D138-S140 VanDerWaalsContact C-N 3.33Å; D138-S140 PolarHBondContact O-N 3.44Å; S140-V152 WeakPolarHBondContact OG-CG2 3.32Å |
| 141 | S | 94.8 | Very high | 95.8 | Very high | 75 Ų | 75 | 50.1 Ų | 50.1 | 52% | 0.524 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -81.1 | -28.4 | 174.4 | 64.9 | 0 | 0 | 0 | 0 | 112.7 | K137 D138 I139 | K137-S141 PolarHBondContact O-N 3.41Å; K137-S141 PolarHBondContact O-OG 2.98Å; D138-S141 PolarHBondContact O-N 3.07Å; D138-S141 PolarHBondContact O-OG 3.42Å; I139-S141 VanDerWaalsContact C-N 3.29Å; I139-S141 PolarHBondContact O-N 3.3Å |
| 142 | D | 93.8 | Very high | 95.9 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -107.1 | -4.4 | -169.1 | -58.1 | -9.3 | 0 | 0 | 0 | 112.1 | V98 K99 T103 D138 I139 | V98-D142 WeakPolarHBondContact CB-OD2 3.39Å; K99-D142 IonicContact NZ-OD2 3.12Å; T103-D142 PolarHBondContact OG1-O 3.29Å; D138-D142 PolarHBondContact O-N 3.15Å; I139-D142 PolarHBondContact O-N 3.44Å |
| 143 | T | 95.9 | Very high | 96.3 | Very high | 21 Ų | 21 | 47 Ų | 47 | 13% | 0.129 | 27% | 0.271 | C | S | . | . | trans | -131.8 | 162.9 | 176.3 | 70.6 | 0 | 0 | 0 | 0 | 110.8 | T103 L108 I139 Y147 G148 L151 | T103-T143 HydrophobicContact CG2-CG2 4.4Å; L108-T143 HydrophobicContact CD1-CG2 4.1Å; I139-T143 HydrophobicContact CG2-CG2 4.4Å; I139-T143 WeakPolarHBondContact O-CB 3.3Å; I139-T143 PolarHBondContact O-N 2.93Å; I139-T143 PolarHBondContact O-OG1 3.29Å; T143-Y147 HydrophobicContact CG2-CD1 4.3Å; T143-Y147 HydrophobicContact CG2-CE1 3.73Å; T143-G148 VanDerWaalsContact OG1-CA 3.29Å; T143-G148 WeakPolarHBondContact OG1-CA 3.36Å; T143-L151 HydrophobicContact CG2-CD1 3.85Å | ||
| 144 | G | 94.3 | Very high | 96.8 | Very high | 51 Ų | 51 | 46.2 Ų | 46.2 | 53% | 0.526 | 26% | 0.262 | S | S | . | . | trans | -153.2 | 178 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G148 | G144-G148 PolarHBondContact O-N 3.13Š| ||
| 145 | G | 96.8 | Very high | 96.9 | Very high | 61 Ų | 61 | 39.9 Ų | 39.9 | 63% | 0.629 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | 59.8 | -153.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y147 G148 R149 | G145-Y147 VanDerWaalsContact C-N 3.32Å; G145-Y147 PolarHBondContact O-N 3.37Å; G145-G148 PolarHBondContact O-N 3.42Å; G145-R149 PolarHBondContact O-N 2.98Å; G145-R149 VanDerWaalsContact O-N 3.1Å |
| 146 | S | 97.6 | Very high | 96.9 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -36.8 | 179.2 | -73.1 | 0 | 0 | 0 | 0 | 113.4 | R149 L150 E187 I191 | S146-R149 PolarHBondContact O-N 2.91Å; S146-L150 PolarHBondContact O-N 3.28Å; S146-E187 WeakPolarHBondContact CB-OE2 3.48Å; S146-E187 PolarHBondContact OG-OE2 3Å; S146-I191 WeakPolarHBondContact O-CD1 3.34Å |
| 147 | Y | 98.1 | Very high | 96.8 | Very high | 19 Ų | 19 | 40 Ų | 40 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -54.6 | 175.3 | 169.7 | -116.4 | 0 | 0 | 0 | 111.9 | D105 I109 T143 G145 R149 L150 L151 N228 L232 | D105-Y147 VanDerWaalsContact CB-OH 3.32Å; D105-Y147 WeakPolarHBondContact CB-OH 3.41Å; D105-Y147 WeakPolarHBondContact OD1-CE1 3.49Å; D105-Y147 PolarHBondContact OD1-OH 2.94Å; I109-Y147 HydrophobicContact CD1-CE2 4.06Å; I109-Y147 HydrophobicContact CG1-CE2 3.91Å; T143-Y147 HydrophobicContact CG2-CD1 4.3Å; T143-Y147 HydrophobicContact CG2-CE1 3.73Å; G145-Y147 VanDerWaalsContact C-N 3.32Å; G145-Y147 PolarHBondContact O-N 3.37Å; Y147-R149 VanDerWaalsContact C-N 3.27Å; Y147-R149 PolarHBondContact O-N 3.44Å; Y147-L150 PolarHBondContact O-N 3.42Å; Y147-L151 HydrophobicContact CD1-CD1 4.31Å; Y147-L151 HydrophobicContact CD2-CD1 4.46Å; Y147-L151 HydrophobicContact CD2-CG 4.37Å; Y147-L151 HydrophobicContact CE1-CD1 3.73Å; Y147-L151 HydrophobicContact CE2-CD1 3.87Å; Y147-L151 HydrophobicContact CE2-CD2 4.07Å; Y147-L151 HydrophobicContact CE2-CG 3.96Å; Y147-L151 VanDerWaalsContact CZ-CD1 3.48Å; Y147-L151 PolarHBondContact O-N 3.24Å; Y147-N228 HydrophobicContact CD1-CB 3.99Å; Y147-N228 HydrophobicContact CD2-CB 3.68Å; Y147-N228 VanDerWaalsContact CD2-O 3.31Å; Y147-N228 WeakPolarHBondContact CD2-O 3.43Å; Y147-N228 HydrophobicContact CE1-CB 4Å; Y147-N228 HydrophobicContact CE2-CB 3.72Å; Y147-N228 HydrophobicContact CG-CB 3.81Å; Y147-L232 HydrophobicContact CD2-CB 4.13Å; Y147-L232 HydrophobicContact CD2-CD2 3.75Å; Y147-L232 HydrophobicContact CE2-CB 4.15Å; Y147-L232 HydrophobicContact CE2-CD2 3.86Å |
| 148 | G | 98.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 36 Ų | 36 | 6% | 0.062 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -37.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T143 G144 G145 L151 V152 | T143-G148 VanDerWaalsContact OG1-CA 3.29Å; T143-G148 WeakPolarHBondContact OG1-CA 3.36Å; G144-G148 PolarHBondContact O-N 3.13Å; G145-G148 PolarHBondContact O-N 3.42Å; G148-L151 PolarHBondContact O-N 3.03Å; G148-V152 WeakPolarHBondContact O-CG2 3.3Å; G148-V152 PolarHBondContact O-N 3.2Å |
| 149 | R | 98.2 | Very high | 96.6 | Very high | 119 Ų | 119 | 38.5 Ų | 38.5 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62 | -45.5 | 176.2 | -168.7 | -176.6 | -58.2 | 169.9 | 4.4 | 112.2 | G145 S146 Y147 V152 I153 E188 I191 | G145-R149 PolarHBondContact O-N 2.98Å; G145-R149 VanDerWaalsContact O-N 3.1Å; S146-R149 PolarHBondContact O-N 2.91Å; Y147-R149 VanDerWaalsContact C-N 3.27Å; Y147-R149 PolarHBondContact O-N 3.44Å; R149-V152 PolarHBondContact O-N 3.25Å; R149-I153 HydrophobicContact CG-CD1 4.28Å; R149-I153 WeakPolarHBondContact O-CG1 3.43Å; R149-I153 PolarHBondContact O-N 3.29Å; R149-E188 IonicContact NH1-OE2 2.81Å; R149-I191 HydrophobicContact CG-CG2 4.5Å |
| 150 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -42 | 178.3 | -178.3 | 53.4 | 0 | 0 | 0 | 111.6 | S146 Y147 V152 I153 L154 I191 L229 L232 L233 | S146-L150 PolarHBondContact O-N 3.28Å; Y147-L150 PolarHBondContact O-N 3.42Å; L150-V152 VanDerWaalsContact C-N 3.3Å; L150-V152 PolarHBondContact O-N 3.07Å; L150-I153 PolarHBondContact O-N 3.15Å; L150-I153 VanDerWaalsContact O-N 3.17Å; L150-L154 HydrophobicContact CD1-CG 4.24Å; L150-L154 HydrophobicContact CG-CD1 4.36Å; L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 3.21Å; L150-I191 HydrophobicContact CB-CG1 4.18Å; L150-I191 HydrophobicContact CB-CG2 4.18Å; L150-I191 HydrophobicContact CD1-CG2 4.16Å; L150-L229 HydrophobicContact CD2-CD1 4.41Å; L150-L232 HydrophobicContact CB-CD2 3.77Å; L150-L232 HydrophobicContact CD2-CB 4.42Å; L150-L232 HydrophobicContact CD2-CD2 3.7Å; L150-L232 HydrophobicContact CD2-CG 3.7Å; L150-L232 HydrophobicContact CG-CD2 3.6Å; L150-L232 HydrophobicContact CG-CG 4.02Å; L150-L233 HydrophobicContact CD2-CD2 3.56Å; L150-L233 HydrophobicContact CD2-CG 4.02Å |
| 151 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.3 | -44.7 | 174.1 | -68.3 | 177 | 0 | 0 | 0 | 111.9 | L108 L112 I139 T143 Y147 G148 I153 L154 L155 L232 | L108-L151 HydrophobicContact CB-CD1 4.47Å; L108-L151 HydrophobicContact CB-CD2 4.28Å; L108-L151 HydrophobicContact CD1-CD1 4.08Å; L112-L151 HydrophobicContact CB-CD2 4.46Å; L112-L151 HydrophobicContact CD1-CB 4.03Å; L112-L151 HydrophobicContact CD1-CD2 3.68Å; L112-L151 HydrophobicContact CD1-CG 4.39Å; I139-L151 HydrophobicContact CG2-CB 3.93Å; I139-L151 HydrophobicContact CG2-CD1 3.84Å; T143-L151 HydrophobicContact CG2-CD1 3.85Å; Y147-L151 HydrophobicContact CD1-CD1 4.31Å; Y147-L151 HydrophobicContact CD2-CD1 4.46Å; Y147-L151 HydrophobicContact CD2-CG 4.37Å; Y147-L151 HydrophobicContact CE1-CD1 3.73Å; Y147-L151 HydrophobicContact CE2-CD1 3.87Å; Y147-L151 HydrophobicContact CE2-CD2 4.07Å; Y147-L151 HydrophobicContact CE2-CG 3.96Å; Y147-L151 VanDerWaalsContact CZ-CD1 3.48Å; Y147-L151 PolarHBondContact O-N 3.24Å; G148-L151 PolarHBondContact O-N 3.03Å; L151-I153 VanDerWaalsContact C-N 3.34Å; L151-I153 PolarHBondContact O-N 3.26Å; L151-L154 PolarHBondContact O-N 3.28Å; L151-L155 VanDerWaalsContact O-CB 3.3Å; L151-L155 WeakPolarHBondContact O-CB 3.4Å; L151-L155 PolarHBondContact O-N 2.76Å; L151-L232 HydrophobicContact CD2-CD1 4.03Å; L151-L232 HydrophobicContact CD2-CD2 3.53Å; L151-L232 HydrophobicContact CD2-CG 4.44Å; L151-L232 HydrophobicContact CG-CD2 3.77Å |
| 152 | V | 98.1 | Very high | 96.5 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 19% | 0.188 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -38.4 | 178.6 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | E136 S140 G148 R149 L150 L155 Q156 | E136-V152 HydrophobicContact CG-CG1 4.09Å; E136-V152 HydrophobicContact CG-CG2 4.29Å; S140-V152 WeakPolarHBondContact OG-CG2 3.32Å; G148-V152 WeakPolarHBondContact O-CG2 3.3Å; G148-V152 PolarHBondContact O-N 3.2Å; R149-V152 PolarHBondContact O-N 3.25Å; L150-V152 VanDerWaalsContact C-N 3.3Å; L150-V152 PolarHBondContact O-N 3.07Å; V152-L155 PolarHBondContact O-N 2.78Å; V152-Q156 WeakPolarHBondContact O-CG 3.36Å; V152-Q156 PolarHBondContact O-N 3.39Å; V152-Q156 PolarHBondContact O-NE2 2.98Å |
| 153 | I | 98.3 | Very high | 96.7 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 20% | 0.195 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -48.5 | 175.4 | -72.2 | 162.8 | 0 | 0 | 0 | 110.7 | R149 L150 L151 L155 Q156 I191 | R149-I153 HydrophobicContact CG-CD1 4.28Å; R149-I153 WeakPolarHBondContact O-CG1 3.43Å; R149-I153 PolarHBondContact O-N 3.29Å; L150-I153 PolarHBondContact O-N 3.15Å; L150-I153 VanDerWaalsContact O-N 3.17Å; L151-I153 VanDerWaalsContact C-N 3.34Å; L151-I153 PolarHBondContact O-N 3.26Å; I153-L155 VanDerWaalsContact C-N 3.26Å; I153-L155 PolarHBondContact O-N 3.13Å; I153-Q156 WeakPolarHBondContact O-CB 3.2Å; I153-Q156 PolarHBondContact O-N 2.92Å; I153-Q156 VanDerWaalsContact O-N 3.15Å; I153-I191 HydrophobicContact CD1-CG2 3.31Å |
| 154 | L | 98.2 | Very high | 96.7 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.4 | -39 | 177.6 | -63.2 | 175.8 | 0 | 0 | 0 | 111.6 | L112 L150 L151 Q156 G157 L232 V236 | L112-L154 HydrophobicContact CB-CB 4.16Å; L112-L154 HydrophobicContact CB-CD1 4.19Å; L150-L154 HydrophobicContact CD1-CG 4.24Å; L150-L154 HydrophobicContact CG-CD1 4.36Å; L150-L154 WeakPolarHBondContact O-CG 3.38Å; L150-L154 PolarHBondContact O-N 3.21Å; L151-L154 PolarHBondContact O-N 3.28Å; L154-Q156 PolarHBondContact O-N 3.35Å; L154-G157 PolarHBondContact O-N 3.47Å; L154-L232 HydrophobicContact CD1-CD1 3.76Å; L154-L232 HydrophobicContact CD1-CD2 4.49Å; L154-L232 HydrophobicContact CD1-CG 4.4Å; L154-V236 HydrophobicContact CD1-CG2 3.86Å; L154-V236 HydrophobicContact CD2-CG2 4.11Å |
| 155 | L | 97.6 | Very high | 96.9 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.7 | -20.7 | 179.4 | -173.2 | 68.6 | 0 | 0 | 0 | 113.7 | L112 I120 L135 E136 I139 L151 V152 I153 G157 | L112-L155 HydrophobicContact CD2-CD1 3.93Å; I120-L155 HydrophobicContact CG2-CD1 4.14Å; I120-L155 WeakPolarHBondContact CG2-O 3.39Å; L135-L155 HydrophobicContact CD2-CD1 3.51Å; L135-L155 HydrophobicContact CG-CD1 3.87Å; L135-L155 HydrophobicContact CG-CD2 4.1Å; E136-L155 HydrophobicContact CB-CD2 3.54Å; E136-L155 HydrophobicContact CG-CD2 4.07Å; I139-L155 HydrophobicContact CD1-CD2 4.24Å; L151-L155 VanDerWaalsContact O-CB 3.3Å; L151-L155 WeakPolarHBondContact O-CB 3.4Å; L151-L155 PolarHBondContact O-N 2.76Å; V152-L155 PolarHBondContact O-N 2.78Å; I153-L155 VanDerWaalsContact C-N 3.26Å; I153-L155 PolarHBondContact O-N 3.13Å; L155-G157 PolarHBondContact O-N 3.17Å |
| 156 | Q | 96.4 | Very high | 96.9 | Very high | 86 Ų | 86 | 54.3 Ų | 54.3 | 40% | 0.402 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.9 | 173.3 | -59.6 | -50.2 | -55.2 | 0 | 0 | 112.1 | E136 V152 I153 L154 S158 | E136-Q156 PolarHBondContact OE2-NE2 3.35Å; V152-Q156 WeakPolarHBondContact O-CG 3.36Å; V152-Q156 PolarHBondContact O-N 3.39Å; V152-Q156 PolarHBondContact O-NE2 2.98Å; I153-Q156 WeakPolarHBondContact O-CB 3.2Å; I153-Q156 PolarHBondContact O-N 2.92Å; I153-Q156 VanDerWaalsContact O-N 3.15Å; L154-Q156 PolarHBondContact O-N 3.35Å; Q156-S158 WeakPolarHBondContact CB-OG 3.36Å; Q156-S158 PolarHBondContact O-N 3.06Å |
| 157 | G | 95.1 | Very high | 96.9 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 8% | 0.082 | 29% | 0.286 | C | S | . | . | trans | 58.6 | 30.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G117 K121 L154 L155 | G117-G157 WeakPolarHBondContact CA-O 3.28Å; K121-G157 WeakPolarHBondContact CE-O 3.43Å; K121-G157 PolarHBondContact NZ-O 3.45Å; L154-G157 PolarHBondContact O-N 3.47Å; L155-G157 PolarHBondContact O-N 3.17Å | ||
| 158 | S | 94.9 | Very high | 96.9 | Very high | 70 Ų | 70 | 56.3 Ų | 56.3 | 49% | 0.49 | 29% | 0.288 | S | S | . | . | trans | -123.4 | 34.1 | -171.1 | 65.8 | 0 | 0 | 0 | 0 | 112.3 | Q156 | Q156-S158 WeakPolarHBondContact CB-OG 3.36Å; Q156-S158 PolarHBondContact O-N 3.06Å | ||
| 159 | R | 93.8 | Very high | 96.9 | Very high | 72 Ų | 72 | 61.5 Ų | 61.5 | 27% | 0.272 | 31% | 0.31 | S | S | . | . | trans | -54.2 | 143.5 | 168 | -77.3 | 178.4 | -178.4 | -80 | -1.6 | 109.5 | L194 G195 N196 R197 | R159-L194 VanDerWaalsContact CZ-O 3.25Å; R159-L194 PolarHBondContact NH1-O 3.01Å; R159-L194 PolarHBondContact NH2-O 2.86Å; R159-G195 PolarHBondContact NH1-O 2.81Å; R159-N196 CarbonylContact C-O 3.58Å; R159-N196 WeakPolarHBondContact CA-O 3.31Å; R159-R197 PolarHBondContact NH1-O 3.47Å | ||
| 160 | E | 95.8 | Very high | 96.9 | Very high | 73 Ų | 73 | 60.1 Ų | 60.1 | 34% | 0.341 | 31% | 0.312 | S | S | . | . | trans | -60.5 | 160 | 175 | -65.5 | 168.3 | -174.8 | 0 | 0 | 110.5 | N196 R197 S198 | E160-N196 WeakPolarHBondContact CG-O 3.36Å; E160-N196 PolarHBondContact N-O 3.3Å; E160-R197 IonicContact OE1-NH1 3.85Å; E160-R197 PolarHBondContact OE1-NH1 3.49Å; E160-R197 VanDerWaalsContact OE2-CD 3.24Å; E160-R197 WeakPolarHBondContact OE2-CD 3.3Å; E160-R197 IonicContact OE2-CZ 2.78Å; E160-R197 IonicContact OE2-NE 2.78Å; E160-R197 IonicContact OE2-NH1 3.69Å; E160-R197 PolarHBondContact OE2-NH1 3.36Å; E160-S198 VanDerWaalsContact O-CA 3.24Å; E160-S198 WeakPolarHBondContact O-CA 3.37Å; E160-S198 WeakPolarHBondContact O-CB 3.13Å | ||
| 161 | E | 93.4 | Very high | 96.9 | Very high | 189 Ų | 189 | 60.6 Ų | 60.6 | 88% | 0.883 | 31% | 0.314 | S | S | * | . | trans | -116.3 | 144.8 | 178.7 | -66.8 | -176.9 | -178.7 | 0 | 0 | 110.5 | ||||
| 162 | G | 95.4 | Very high | 96.9 | Very high | 41 Ų | 41 | 60.6 Ų | 60.6 | 42% | 0.423 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 75.4 | -178.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S198 | G162-S198 WeakPolarHBondContact O-CB 3.16Å; G162-S198 PolarHBondContact O-OG 3.45Å |
| 163 | V | 97.8 | Very high | 96.9 | Very high | 51 Ų | 51 | 63.5 Ų | 63.5 | 31% | 0.309 | 32% | 0.324 | S | S | . | . | trans | -106.5 | 122.7 | -174.3 | -179 | 0 | 0 | 0 | 0 | 110.7 | E165 I168 E200 K204 | V163-E165 HydrophobicContact CG1-CG 4.28Å; V163-E165 WeakPolarHBondContact CG1-OE1 3.32Å; V163-E165 PolarHBondContact O-N 3.32Å; V163-I168 HydrophobicContact CG1-CD1 3.93Å; V163-E200 HydrophobicContact CG2-CB 3.71Å; V163-K204 HydrophobicContact CG1-CD 3.77Å | ||
| 164 | E | 96.5 | Very high | 96.9 | Very high | 62 Ų | 62 | 64.4 Ų | 64.4 | 29% | 0.29 | 33% | 0.33 | S | S | . | . | trans | -89.2 | 86.9 | 168.3 | -60.4 | -169.4 | -77.7 | 0 | 0 | 110.6 | D166 K167 H201 | E164-D166 PolarHBondContact O-N 2.94Å; E164-K167 HydrophobicContact CB-CB 4.17Å; E164-K167 HydrophobicContact CB-CD 4.11Å; E164-K167 HydrophobicContact CB-CG 4.19Å; E164-K167 PolarHBondContact O-N 2.75Å; E164-K167 WeakPolarHBondContact OE1-CD 3.41Å; E164-K167 IonicContact OE1-NZ 2.77Å; E164-K167 PolarHBondContact OE1-NZ 2.98Å; E164-K167 WeakPolarHBondContact OE2-CE 3.3Å; E164-K167 IonicContact OE2-NZ 2.77Å; E164-K167 PolarHBondContact OE2-NZ 3.43Å; E164-H201 PolarHBondContact N-ND1 2.79Å; E164-H201 PolarHBondContact O-CE1 3.35Å; E164-H201 PolarHBondContact O-ND1 2.94Å | ||
| 165 | E | 97.3 | Very high | 96.9 | Very high | 117 Ų | 117 | 64 Ų | 64 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -35.1 | -171.6 | -61.8 | -68.8 | 167.2 | 0 | 0 | 113.6 | V163 K167 I168 K204 | V163-E165 HydrophobicContact CG1-CG 4.28Å; V163-E165 WeakPolarHBondContact CG1-OE1 3.32Å; V163-E165 PolarHBondContact O-N 3.32Å; E165-K167 VanDerWaalsContact C-N 3.27Å; E165-K167 PolarHBondContact O-N 2.8Å; E165-I168 VanDerWaalsContact OE2-CD1 3.24Å; E165-I168 WeakPolarHBondContact OE2-CD1 3.49Å; E165-K204 VanDerWaalsContact CD-NZ 3.31Å; E165-K204 IonicContact OE1-NZ 2.6Å; E165-K204 PolarHBondContact OE1-NZ 3.26Å; E165-K204 IonicContact OE2-NZ 3.21Å; E165-K204 PolarHBondContact OE2-NZ 3.14Å |
| 166 | D | 96.6 | Very high | 96.9 | Very high | 122 Ų | 122 | 67.6 Ų | 67.6 | 65% | 0.652 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.7 | -179.4 | 63.2 | -46.2 | 0 | 0 | 0 | 113.7 | E164 | E164-D166 PolarHBondContact O-N 2.94Š|
| 167 | K | 97.8 | Very high | 97 | Very high | 60 Ų | 60 | 66.1 Ų | 66.1 | 26% | 0.261 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -17.3 | 179.1 | -65.7 | -172.6 | -171.2 | 164.4 | 0 | 114.1 | E164 E165 E169 N170 D171 | E164-K167 HydrophobicContact CB-CB 4.17Å; E164-K167 HydrophobicContact CB-CD 4.11Å; E164-K167 HydrophobicContact CB-CG 4.19Å; E164-K167 PolarHBondContact O-N 2.75Å; E164-K167 WeakPolarHBondContact OE1-CD 3.41Å; E164-K167 IonicContact OE1-NZ 2.77Å; E164-K167 PolarHBondContact OE1-NZ 2.98Å; E164-K167 WeakPolarHBondContact OE2-CE 3.3Å; E164-K167 IonicContact OE2-NZ 2.77Å; E164-K167 PolarHBondContact OE2-NZ 3.43Å; E165-K167 VanDerWaalsContact C-N 3.27Å; E165-K167 PolarHBondContact O-N 2.8Å; K167-E169 PolarHBondContact O-N 3.42Å; K167-N170 PolarHBondContact O-N 2.61Å; K167-N170 VanDerWaalsContact O-N 3.08Å; K167-D171 WeakPolarHBondContact O-CB 3.33Å; K167-D171 PolarHBondContact O-N 3.2Å |
| 168 | I | 98.5 | Very high | 97 | Very high | 21 Ų | 21 | 65.9 Ų | 65.9 | 11% | 0.108 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -54.7 | -51 | -172.1 | -64.5 | 167.5 | 0 | 0 | 0 | 111.8 | V163 E165 N170 A172 K204 V205 A208 | V163-I168 HydrophobicContact CG1-CD1 3.93Å; E165-I168 VanDerWaalsContact OE2-CD1 3.24Å; E165-I168 WeakPolarHBondContact OE2-CD1 3.49Å; I168-N170 VanDerWaalsContact C-N 3.34Å; I168-A172 WeakPolarHBondContact O-CB 3.4Å; I168-A172 PolarHBondContact O-N 3.12Å; I168-A172 VanDerWaalsContact O-N 3.07Å; I168-K204 HydrophobicContact CD1-CB 3.85Å; I168-K204 HydrophobicContact CD1-CD 3.54Å; I168-K204 HydrophobicContact CD1-CG 4.38Å; I168-K204 HydrophobicContact CG1-CB 4.26Å; I168-K204 HydrophobicContact CG2-CB 4.11Å; I168-V205 HydrophobicContact CG2-CG2 4.27Å; I168-A208 HydrophobicContact CG2-CB 3.92Å |
| 169 | E | 98.2 | Very high | 97 | Very high | 115 Ų | 115 | 62.6 Ų | 62.6 | 54% | 0.537 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.9 | -35.3 | -177.9 | -169.4 | -180 | 165.3 | 0 | 0 | 111.7 | K167 K173 | K167-E169 PolarHBondContact O-N 3.42Å; E169-K173 HydrophobicContact CG-CD 4.35Å; E169-K173 WeakPolarHBondContact O-CB 3.41Å; E169-K173 VanDerWaalsContact O-CG 3.28Å; E169-K173 WeakPolarHBondContact O-CG 3.43Å; E169-K173 PolarHBondContact O-N 2.98Å; E169-K173 WeakPolarHBondContact OE1-CE 3.35Å; E169-K173 IonicContact OE1-NZ 2.65Å; E169-K173 PolarHBondContact OE1-NZ 2.82Å |
| 170 | N | 98.3 | Very high | 96.9 | Very high | 90 Ų | 90 | 62.2 Ų | 62.2 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.3 | -46.5 | 178.9 | -69 | -28.5 | 0 | 0 | 0 | 111.4 | K167 I168 A172 K173 D174 | K167-N170 PolarHBondContact O-N 2.61Å; K167-N170 VanDerWaalsContact O-N 3.08Å; I168-N170 VanDerWaalsContact C-N 3.34Å; N170-A172 VanDerWaalsContact C-N 3.29Å; N170-A172 PolarHBondContact O-N 3.06Å; N170-K173 PolarHBondContact O-N 3.41Å; N170-D174 WeakPolarHBondContact O-CB 3.39Å; N170-D174 PolarHBondContact O-N 3.31Å |
| 171 | D | 98.6 | Very high | 96.6 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.053 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.9 | -38 | 177.2 | -76.9 | -8.3 | 0 | 0 | 0 | 111 | K167 D174 L175 I193 R197 H201 V205 | K167-D171 WeakPolarHBondContact O-CB 3.33Å; K167-D171 PolarHBondContact O-N 3.2Å; D171-D174 PolarHBondContact O-N 3.01Å; D171-L175 WeakPolarHBondContact O-CB 3.41Å; D171-L175 WeakPolarHBondContact O-CG 3.42Å; D171-L175 PolarHBondContact O-N 3.39Å; D171-I193 HydrophobicContact CB-CD1 4.28Å; D171-I193 HydrophobicContact CB-CG2 4.26Å; D171-R197 IonicContact OD1-NH2 2.7Å; D171-R197 PolarHBondContact OD1-NH2 3.22Å; D171-R197 IonicContact OD2-CZ 3.5Å; D171-R197 IonicContact OD2-NE 2.69Å; D171-R197 PolarHBondContact OD2-NE 2.83Å; D171-R197 IonicContact OD2-NH2 3.62Å; D171-R197 PolarHBondContact OD2-NH2 3.09Å; D171-H201 IonicContact OD2-CD2 3.85Å; D171-H201 IonicContact OD2-NE2 2.71Å; D171-H201 PolarHBondContact OD2-NE2 2.74Å; D171-H201 VanDerWaalsContact OD2-NE2 3.13Å; D171-V205 HydrophobicContact CB-CG1 4.15Å; D171-V205 HydrophobicContact CB-CG2 3.97Å |
| 172 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I168 N170 Y176 V205 A208 I212 | I168-A172 WeakPolarHBondContact O-CB 3.4Å; I168-A172 PolarHBondContact O-N 3.12Å; I168-A172 VanDerWaalsContact O-N 3.07Å; N170-A172 VanDerWaalsContact C-N 3.29Å; N170-A172 PolarHBondContact O-N 3.06Å; A172-Y176 PolarHBondContact O-N 3.03Å; A172-V205 HydrophobicContact CB-CG1 4.2Å; A172-A208 HydrophobicContact CB-CB 3.76Å; A172-I212 HydrophobicContact CB-CD1 3.84Å |
| 173 | K | 98.3 | Very high | 96.1 | Very high | 91 Ų | 91 | 64.6 Ų | 64.6 | 40% | 0.396 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 174.6 | -75.3 | 172.9 | -176.4 | 165.6 | 0 | 112.1 | E169 N170 Y176 A177 I212 | E169-K173 HydrophobicContact CG-CD 4.35Å; E169-K173 WeakPolarHBondContact O-CB 3.41Å; E169-K173 VanDerWaalsContact O-CG 3.28Å; E169-K173 WeakPolarHBondContact O-CG 3.43Å; E169-K173 PolarHBondContact O-N 2.98Å; E169-K173 WeakPolarHBondContact OE1-CE 3.35Å; E169-K173 IonicContact OE1-NZ 2.65Å; E169-K173 PolarHBondContact OE1-NZ 2.82Å; N170-K173 PolarHBondContact O-N 3.41Å; K173-Y176 PolarHBondContact O-N 3.48Å; K173-A177 WeakPolarHBondContact O-CB 3.49Å; K173-A177 PolarHBondContact O-N 3.29Å; K173-I212 HydrophobicContact CG-CD1 3.81Å |
| 174 | D | 98.4 | Very high | 95.6 | Very high | 58 Ų | 58 | 63.7 Ų | 63.7 | 31% | 0.31 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 177.9 | -89.2 | 17.1 | 0 | 0 | 0 | 110.9 | N170 D171 Y176 A177 A178 K189 I193 | N170-D174 WeakPolarHBondContact O-CB 3.39Å; N170-D174 PolarHBondContact O-N 3.31Å; D171-D174 PolarHBondContact O-N 3.01Å; D174-Y176 VanDerWaalsContact C-N 3.32Å; D174-Y176 PolarHBondContact O-N 3Å; D174-A177 PolarHBondContact O-N 3.18Å; D174-A178 WeakPolarHBondContact O-CB 3.18Å; D174-A178 PolarHBondContact O-N 3.22Å; D174-K189 IonicContact OD2-NZ 3.62Å; D174-K189 PolarHBondContact OD2-NZ 3.48Å; D174-I193 HydrophobicContact CB-CD1 3.97Å |
| 175 | L | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 173.9 | -73.6 | 173.3 | 0 | 0 | 0 | 111.8 | D171 A178 G179 F190 I193 V205 Y209 I217 | D171-L175 WeakPolarHBondContact O-CB 3.41Å; D171-L175 WeakPolarHBondContact O-CG 3.42Å; D171-L175 PolarHBondContact O-N 3.39Å; L175-A178 PolarHBondContact O-N 3.36Å; L175-G179 PolarHBondContact O-N 3.29Å; L175-F190 HydrophobicContact CD2-CD1 3.91Å; L175-F190 HydrophobicContact CD2-CD2 4.24Å; L175-F190 HydrophobicContact CD2-CE1 4.11Å; L175-F190 HydrophobicContact CD2-CE2 4.42Å; L175-F190 HydrophobicContact CD2-CG 3.98Å; L175-F190 HydrophobicContact CD2-CZ 4.35Å; L175-I193 HydrophobicContact CD1-CG2 4.14Å; L175-I193 HydrophobicContact CD2-CB 4.28Å; L175-I193 HydrophobicContact CD2-CD1 4Å; L175-I193 HydrophobicContact CD2-CG2 4.41Å; L175-I193 HydrophobicContact CG-CD1 3.87Å; L175-I193 HydrophobicContact CG-CG2 4.34Å; L175-V205 HydrophobicContact CD1-CG1 3.82Å; L175-Y209 HydrophobicContact CB-CD2 3.82Å; L175-Y209 HydrophobicContact CB-CE2 3.79Å; L175-I217 HydrophobicContact CB-CD1 4.47Å; L175-I217 HydrophobicContact CD1-CD1 4.31Å |
| 176 | Y | 97.8 | Very high | 95.3 | Very high | 83 Ų | 83 | 59.6 Ų | 59.6 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.5 | -49.9 | 178 | 175.2 | -104 | 0 | 0 | 0 | 110.9 | A172 K173 D174 A178 G179 E180 G181 I212 | A172-Y176 PolarHBondContact O-N 3.03Å; K173-Y176 PolarHBondContact O-N 3.48Å; D174-Y176 VanDerWaalsContact C-N 3.32Å; D174-Y176 PolarHBondContact O-N 3Å; Y176-A178 PolarHBondContact O-N 2.95Å; Y176-G179 CarbonylContact O-C 3.46Å; Y176-G179 PolarHBondContact O-N 3.42Å; Y176-G179 VanDerWaalsContact O-N 3.16Å; Y176-E180 HydrophobicContact CD2-CB 4.03Å; Y176-E180 HydrophobicContact CE2-CB 3.77Å; Y176-E180 PolarHBondContact O-N 3.05Å; Y176-G181 WeakPolarHBondContact O-CA 3.26Å; Y176-G181 PolarHBondContact O-N 3.43Å; Y176-I212 HydrophobicContact CD1-CG2 4.06Å; Y176-I212 HydrophobicContact CD2-CG2 4.41Å; Y176-I212 HydrophobicContact CG-CG2 3.94Å |
| 177 | A | 97.3 | Very high | 95.2 | Very high | 55 Ų | 55 | 57.2 Ų | 57.2 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.9 | -25.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K173 D174 K182 | K173-A177 WeakPolarHBondContact O-CB 3.49Å; K173-A177 PolarHBondContact O-N 3.29Å; D174-A177 PolarHBondContact O-N 3.18Å; A177-K182 WeakPolarHBondContact O-CD 3.18Å; A177-K182 VanDerWaalsContact O-CG 3.26Å; A177-K182 WeakPolarHBondContact O-CG 3.34Å |
| 178 | A | 95.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.033 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -80.7 | -20 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D174 L175 Y176 T185 D186 K189 F190 | D174-A178 WeakPolarHBondContact O-CB 3.18Å; D174-A178 PolarHBondContact O-N 3.22Å; L175-A178 PolarHBondContact O-N 3.36Å; Y176-A178 PolarHBondContact O-N 2.95Å; A178-T185 CarbonylContact O-C 3.59Å; A178-T185 WeakPolarHBondContact O-CA 3.31Å; A178-D186 HydrophobicContact CB-CB 3.88Å; A178-D186 PolarHBondContact O-N 2.9Å; A178-K189 HydrophobicContact CB-CB 3.63Å; A178-K189 HydrophobicContact CB-CG 4.22Å; A178-F190 HydrophobicContact CB-CD2 4.03Å; A178-F190 HydrophobicContact CB-CE2 3.83Å |
| 179 | G | 94.1 | Very high | 95 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -106 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L175 Y176 G181 K182 | L175-G179 PolarHBondContact O-N 3.29Å; Y176-G179 CarbonylContact O-C 3.46Å; Y176-G179 PolarHBondContact O-N 3.42Å; Y176-G179 VanDerWaalsContact O-N 3.16Å; G179-G181 PolarHBondContact O-N 3.13Å; G179-K182 VanDerWaalsContact O-CG 3.32Å; G179-K182 WeakPolarHBondContact O-CG 3.28Å; G179-K182 PolarHBondContact O-N 3.45Å |
| 180 | E | 92.8 | Very high | 95 | Very high | 65 Ų | 65 | 57.2 Ų | 57.2 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -23.8 | -174.1 | -65.2 | -171.5 | -175.9 | 0 | 0 | 115.6 | Y176 K182 S213 S215 S220 | Y176-E180 HydrophobicContact CD2-CB 4.03Å; Y176-E180 HydrophobicContact CE2-CB 3.77Å; Y176-E180 PolarHBondContact O-N 3.05Å; E180-K182 PolarHBondContact O-N 3.02Å; E180-S213 WeakPolarHBondContact OE2-CB 3.45Å; E180-S215 VanDerWaalsContact OE1-CB 3.26Å; E180-S215 WeakPolarHBondContact OE1-CB 3.34Å; E180-S215 PolarHBondContact OE1-OG 3.03Å; E180-S215 VanDerWaalsContact OE1-OG 3.08Å; E180-S220 WeakPolarHBondContact OE1-CB 3.37Å; E180-S220 PolarHBondContact OE1-OG 3.05Å |
| 181 | G | 89.1 | Confident | 95 | Very high | 42 Ų | 42 | 53 Ų | 53 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -2.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y176 G179 | Y176-G181 WeakPolarHBondContact O-CA 3.26Å; Y176-G181 PolarHBondContact O-N 3.43Å; G179-G181 PolarHBondContact O-N 3.13Å |
| 182 | K | 91.3 | Very high | 94.9 | Very high | 98 Ų | 98 | 55.7 Ų | 55.7 | 43% | 0.426 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -147.1 | 171.2 | -178.1 | 59.6 | 173.1 | -63.9 | -168.5 | 0 | 111.8 | A177 G179 E180 G184 | A177-K182 WeakPolarHBondContact O-CD 3.18Å; A177-K182 VanDerWaalsContact O-CG 3.26Å; A177-K182 WeakPolarHBondContact O-CG 3.34Å; G179-K182 VanDerWaalsContact O-CG 3.32Å; G179-K182 WeakPolarHBondContact O-CG 3.28Å; G179-K182 PolarHBondContact O-N 3.45Å; E180-K182 PolarHBondContact O-N 3.02Å; K182-G184 WeakPolarHBondContact CD-O 3.48Å; K182-G184 VanDerWaalsContact CE-O 3.23Å; K182-G184 WeakPolarHBondContact CE-O 3.38Å; K182-G184 VanDerWaalsContact CG-O 3.25Å; K182-G184 WeakPolarHBondContact CG-O 3.33Å |
| 183 | F | 86.8 | Confident | 94.9 | Very high | 212 Ų | 212 | 55.9 Ų | 55.9 | 93% | 0.93 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -83.7 | 118.5 | 168.8 | -176.8 | -99.4 | 0 | 0 | 0 | 110 | ||
| 184 | G | 87.9 | Confident | 94.8 | Very high | 32 Ų | 32 | 51.5 Ų | 51.5 | 33% | 0.33 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 73 | 171.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K182 | K182-G184 WeakPolarHBondContact CD-O 3.48Å; K182-G184 VanDerWaalsContact CE-O 3.23Å; K182-G184 WeakPolarHBondContact CE-O 3.38Å; K182-G184 VanDerWaalsContact CG-O 3.25Å; K182-G184 WeakPolarHBondContact CG-O 3.33Å |
| 185 | T | 92 | Very high | 94.8 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 22% | 0.221 | 26% | 0.259 | C | S | . | . | trans | -107.2 | 135.8 | -160.3 | -38.9 | 0 | 0 | 0 | 0 | 112.9 | A178 E187 F190 E224 T225 | A178-T185 CarbonylContact O-C 3.59Å; A178-T185 WeakPolarHBondContact O-CA 3.31Å; T185-E187 HydrophobicContact CG2-CG 4.31Å; T185-E187 PolarHBondContact O-N 2.91Å; T185-F190 HydrophobicContact CG2-CD2 4.28Å; T185-F190 HydrophobicContact CG2-CE2 4.22Å; T185-E224 HydrophobicContact CG2-CB 3.89Å; T185-E224 VanDerWaalsContact OG1-CB 3.32Å; T185-E224 WeakPolarHBondContact OG1-CB 3.35Å; T185-E224 PolarHBondContact OG1-O 2.73Å; T185-E224 PolarHBondContact OG1-OE2 3.49Å; T185-E224 VanDerWaalsContact OG1-OE2 3.12Å; T185-T225 HydrophobicContact CG2-CG2 4.22Å | ||
| 186 | D | 94.4 | Very high | 94.7 | Very high | 58 Ų | 58 | 51 Ų | 51 | 31% | 0.31 | 27% | 0.271 | S | S | . | . | trans | -86.9 | 83.4 | 160.8 | -173.2 | -19.2 | 0 | 0 | 0 | 109.3 | A178 E188 K189 | A178-D186 HydrophobicContact CB-CB 3.88Å; A178-D186 PolarHBondContact O-N 2.9Å; D186-E188 PolarHBondContact O-N 3.35Å; D186-E188 PolarHBondContact OD1-N 2.53Å; D186-K189 HydrophobicContact CB-CB 4.44Å; D186-K189 HydrophobicContact CB-CG 4.46Å; D186-K189 PolarHBondContact O-N 3.35Å; D186-K189 PolarHBondContact OD1-N 2.91Å | ||
| 187 | E | 94.9 | Very high | 94.7 | Very high | 71 Ų | 71 | 48.6 Ų | 48.6 | 33% | 0.332 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.6 | -31.4 | -179.6 | -62.4 | 175.4 | 161.6 | 0 | 0 | 112 | S146 T185 K189 F190 I191 L229 | S146-E187 WeakPolarHBondContact CB-OE2 3.48Å; S146-E187 PolarHBondContact OG-OE2 3Å; T185-E187 HydrophobicContact CG2-CG 4.31Å; T185-E187 PolarHBondContact O-N 2.91Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.18Å; E187-F190 PolarHBondContact O-N 3.46Å; E187-I191 HydrophobicContact CB-CD1 4.36Å; E187-I191 WeakPolarHBondContact O-CB 3.4Å; E187-I191 VanDerWaalsContact O-CD1 3.32Å; E187-I191 WeakPolarHBondContact O-CD1 3.3Å; E187-I191 WeakPolarHBondContact O-CG1 3.39Å; E187-I191 PolarHBondContact O-N 3.09Å; E187-L229 HydrophobicContact CB-CD2 4.2Å; E187-L229 HydrophobicContact CG-CD2 3.79Å; E187-L229 WeakPolarHBondContact OE1-CD2 3.27Å |
| 188 | E | 95.9 | Very high | 94.8 | Very high | 114 Ų | 114 | 46.1 Ų | 46.1 | 53% | 0.533 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66 | -36.8 | -178.3 | -173.3 | 171.1 | 170.6 | 0 | 0 | 112 | R149 D186 I191 T192 | R149-E188 IonicContact NH1-OE2 2.81Å; D186-E188 PolarHBondContact O-N 3.35Å; D186-E188 PolarHBondContact OD1-N 2.53Å; E188-I191 PolarHBondContact O-N 2.71Å; E188-T192 VanDerWaalsContact O-CB 3.31Å; E188-T192 WeakPolarHBondContact O-CB 3.33Å; E188-T192 PolarHBondContact O-N 2.77Å; E188-T192 PolarHBondContact O-OG1 3.41Å |
| 189 | K | 97.3 | Very high | 94.8 | Very high | 82 Ų | 82 | 48 Ų | 48 | 36% | 0.357 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 173.5 | -79.9 | -69.2 | -169.7 | 168.2 | 0 | 112.4 | D174 A178 D186 E187 I191 T192 I193 | D174-K189 IonicContact OD2-NZ 3.62Å; D174-K189 PolarHBondContact OD2-NZ 3.48Å; A178-K189 HydrophobicContact CB-CB 3.63Å; A178-K189 HydrophobicContact CB-CG 4.22Å; D186-K189 HydrophobicContact CB-CB 4.44Å; D186-K189 HydrophobicContact CB-CG 4.46Å; D186-K189 PolarHBondContact O-N 3.35Å; D186-K189 PolarHBondContact OD1-N 2.91Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.18Å; K189-I191 PolarHBondContact O-N 3.24Å; K189-T192 PolarHBondContact O-N 2.68Å; K189-I193 WeakPolarHBondContact O-CG1 3.48Å; K189-I193 PolarHBondContact O-N 3.37Å |
| 190 | F | 97.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.7 | -49.4 | 175 | -84.8 | -102.1 | 0 | 0 | 0 | 111.2 | L175 A178 T185 E187 T192 I193 L194 I217 I221 L233 | L175-F190 HydrophobicContact CD2-CD1 3.91Å; L175-F190 HydrophobicContact CD2-CD2 4.24Å; L175-F190 HydrophobicContact CD2-CE1 4.11Å; L175-F190 HydrophobicContact CD2-CE2 4.42Å; L175-F190 HydrophobicContact CD2-CG 3.98Å; L175-F190 HydrophobicContact CD2-CZ 4.35Å; A178-F190 HydrophobicContact CB-CD2 4.03Å; A178-F190 HydrophobicContact CB-CE2 3.83Å; T185-F190 HydrophobicContact CG2-CD2 4.28Å; T185-F190 HydrophobicContact CG2-CE2 4.22Å; E187-F190 PolarHBondContact O-N 3.46Å; F190-T192 VanDerWaalsContact C-N 3.34Å; F190-T192 PolarHBondContact O-N 3.11Å; F190-I193 PolarHBondContact O-N 3.45Å; F190-L194 HydrophobicContact CB-CD1 4.44Å; F190-L194 HydrophobicContact CD1-CD1 3.89Å; F190-L194 WeakPolarHBondContact O-CB 3.3Å; F190-L194 WeakPolarHBondContact O-CG 3.14Å; F190-L194 PolarHBondContact O-N 2.59Å; F190-I217 HydrophobicContact CE1-CD1 3.75Å; F190-I217 HydrophobicContact CZ-CD1 4.29Å; F190-I221 HydrophobicContact CD1-CG1 4.12Å; F190-I221 HydrophobicContact CE1-CG1 3.79Å; F190-L233 HydrophobicContact CB-CD2 4.27Å |
| 191 | I | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | -179.8 | -68.9 | 165 | 0 | 0 | 0 | 111.4 | S146 R149 L150 I153 E187 E188 K189 G195 | S146-I191 WeakPolarHBondContact O-CD1 3.34Å; R149-I191 HydrophobicContact CG-CG2 4.5Å; L150-I191 HydrophobicContact CB-CG1 4.18Å; L150-I191 HydrophobicContact CB-CG2 4.18Å; L150-I191 HydrophobicContact CD1-CG2 4.16Å; I153-I191 HydrophobicContact CD1-CG2 3.31Å; E187-I191 HydrophobicContact CB-CD1 4.36Å; E187-I191 WeakPolarHBondContact O-CB 3.4Å; E187-I191 VanDerWaalsContact O-CD1 3.32Å; E187-I191 WeakPolarHBondContact O-CD1 3.3Å; E187-I191 WeakPolarHBondContact O-CG1 3.39Å; E187-I191 PolarHBondContact O-N 3.09Å; E188-I191 PolarHBondContact O-N 2.71Å; K189-I191 PolarHBondContact O-N 3.24Å; I191-G195 VanDerWaalsContact O-CA 3.28Å; I191-G195 WeakPolarHBondContact O-CA 3.34Å; I191-G195 PolarHBondContact O-N 3.38Å |
| 192 | T | 96.8 | Very high | 95.7 | Very high | 66 Ų | 66 | 48.1 Ų | 48.1 | 41% | 0.405 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.1 | -49.1 | -177.7 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | E188 K189 F190 N196 | E188-T192 VanDerWaalsContact O-CB 3.31Å; E188-T192 WeakPolarHBondContact O-CB 3.33Å; E188-T192 PolarHBondContact O-N 2.77Å; E188-T192 PolarHBondContact O-OG1 3.41Å; K189-T192 PolarHBondContact O-N 2.68Å; F190-T192 VanDerWaalsContact C-N 3.34Å; F190-T192 PolarHBondContact O-N 3.11Å; T192-N196 WeakPolarHBondContact O-CB 3.27Å; T192-N196 PolarHBondContact O-N 3.44Å; T192-N196 PolarHBondContact O-ND2 2.98Å |
| 193 | I | 98.1 | Very high | 96 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.2 | -54.8 | -177.5 | -65.3 | 170.6 | 0 | 0 | 0 | 110 | D171 D174 L175 K189 F190 G195 N196 R197 L202 | D171-I193 HydrophobicContact CB-CD1 4.28Å; D171-I193 HydrophobicContact CB-CG2 4.26Å; D174-I193 HydrophobicContact CB-CD1 3.97Å; L175-I193 HydrophobicContact CD1-CG2 4.14Å; L175-I193 HydrophobicContact CD2-CB 4.28Å; L175-I193 HydrophobicContact CD2-CD1 4Å; L175-I193 HydrophobicContact CD2-CG2 4.41Å; L175-I193 HydrophobicContact CG-CD1 3.87Å; L175-I193 HydrophobicContact CG-CG2 4.34Å; K189-I193 WeakPolarHBondContact O-CG1 3.48Å; K189-I193 PolarHBondContact O-N 3.37Å; F190-I193 PolarHBondContact O-N 3.45Å; I193-G195 VanDerWaalsContact C-N 3.29Å; I193-G195 PolarHBondContact O-N 2.86Å; I193-N196 PolarHBondContact O-N 3.3Å; I193-R197 HydrophobicContact CG2-CG 4.19Å; I193-R197 WeakPolarHBondContact O-CB 3.08Å; I193-R197 WeakPolarHBondContact O-CG 3.3Å; I193-R197 PolarHBondContact O-N 3.27Å; I193-R197 VanDerWaalsContact O-N 3.1Å; I193-L202 HydrophobicContact CG2-CD2 3.9Å |
| 194 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72 | -21.5 | -175.5 | -60.9 | 175.4 | 0 | 0 | 0 | 113.3 | R159 F190 L202 F206 I221 L233 V236 V237 | R159-L194 VanDerWaalsContact CZ-O 3.25Å; R159-L194 PolarHBondContact NH1-O 3.01Å; R159-L194 PolarHBondContact NH2-O 2.86Å; F190-L194 HydrophobicContact CB-CD1 4.44Å; F190-L194 HydrophobicContact CD1-CD1 3.89Å; F190-L194 WeakPolarHBondContact O-CB 3.3Å; F190-L194 WeakPolarHBondContact O-CG 3.14Å; F190-L194 PolarHBondContact O-N 2.59Å; L194-L202 HydrophobicContact CD2-CD1 4.49Å; L194-L202 HydrophobicContact CD2-CD2 4.02Å; L194-F206 HydrophobicContact CD2-CE1 3.56Å; L194-F206 HydrophobicContact CD2-CZ 3.75Å; L194-I221 HydrophobicContact CD1-CD1 4.32Å; L194-L233 HydrophobicContact CD1-CD2 3.72Å; L194-V236 HydrophobicContact CB-CG1 4.25Å; L194-V236 WeakPolarHBondContact O-CG1 3.39Å; L194-V237 HydrophobicContact CD1-CG2 4.28Å; L194-V237 HydrophobicContact CD2-CG2 4.3Å |
| 195 | G | 97.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -84 | -29.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R159 I191 I193 | R159-G195 PolarHBondContact NH1-O 2.81Å; I191-G195 VanDerWaalsContact O-CA 3.28Å; I191-G195 WeakPolarHBondContact O-CA 3.34Å; I191-G195 PolarHBondContact O-N 3.38Å; I193-G195 VanDerWaalsContact C-N 3.29Å; I193-G195 PolarHBondContact O-N 2.86Å |
| 196 | N | 97 | Very high | 97.4 | Very high | 46 Ų | 46 | 37.9 Ų | 37.9 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -112.9 | -36.3 | -169.7 | -65.2 | -78.7 | 0 | 0 | 0 | 114.8 | R159 E160 T192 I193 | R159-N196 CarbonylContact C-O 3.58Å; R159-N196 WeakPolarHBondContact CA-O 3.31Å; E160-N196 WeakPolarHBondContact CG-O 3.36Å; E160-N196 PolarHBondContact N-O 3.3Å; T192-N196 WeakPolarHBondContact O-CB 3.27Å; T192-N196 PolarHBondContact O-N 3.44Å; T192-N196 PolarHBondContact O-ND2 2.98Å; I193-N196 PolarHBondContact O-N 3.3Å |
| 197 | R | 98.1 | Very high | 97.6 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 12% | 0.121 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -63.2 | 150.9 | -178.4 | -67.7 | -65.2 | 179.9 | -96.6 | -15.9 | 111.6 | R159 E160 D171 I193 L202 | R159-R197 PolarHBondContact NH1-O 3.47Å; E160-R197 IonicContact OE1-NH1 3.85Å; E160-R197 PolarHBondContact OE1-NH1 3.49Å; E160-R197 VanDerWaalsContact OE2-CD 3.24Å; E160-R197 WeakPolarHBondContact OE2-CD 3.3Å; E160-R197 IonicContact OE2-CZ 2.78Å; E160-R197 IonicContact OE2-NE 2.78Å; E160-R197 IonicContact OE2-NH1 3.69Å; E160-R197 PolarHBondContact OE2-NH1 3.36Å; D171-R197 IonicContact OD1-NH2 2.7Å; D171-R197 PolarHBondContact OD1-NH2 3.22Å; D171-R197 IonicContact OD2-CZ 3.5Å; D171-R197 IonicContact OD2-NE 2.69Å; D171-R197 PolarHBondContact OD2-NE 2.83Å; D171-R197 IonicContact OD2-NH2 3.62Å; D171-R197 PolarHBondContact OD2-NH2 3.09Å; I193-R197 HydrophobicContact CG2-CG 4.19Å; I193-R197 WeakPolarHBondContact O-CB 3.08Å; I193-R197 WeakPolarHBondContact O-CG 3.3Å; I193-R197 PolarHBondContact O-N 3.27Å; I193-R197 VanDerWaalsContact O-N 3.1Å; R197-L202 HydrophobicContact CB-CD1 4.12Å; R197-L202 HydrophobicContact CB-CD2 3.64Å; R197-L202 HydrophobicContact CB-CG 3.58Å; R197-L202 HydrophobicContact CG-CD2 4.18Å |
| 198 | S | 97.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.014 | 19% | 0.188 | C | C | . | . | trans | -62.5 | 156.3 | 173.9 | 75.3 | 0 | 0 | 0 | 0 | 111.3 | E160 G162 E200 H201 L202 | E160-S198 VanDerWaalsContact O-CA 3.24Å; E160-S198 WeakPolarHBondContact O-CA 3.37Å; E160-S198 WeakPolarHBondContact O-CB 3.13Å; G162-S198 WeakPolarHBondContact O-CB 3.16Å; G162-S198 PolarHBondContact O-OG 3.45Å; S198-E200 VanDerWaalsContact C-N 3.31Å; S198-E200 PolarHBondContact O-N 2.97Å; S198-H201 PolarHBondContact O-N 3.22Å; S198-H201 WeakPolarHBondContact OG-CB 3.2Å; S198-H201 PolarHBondContact OG-N 2.94Å; S198-L202 WeakPolarHBondContact O-CB 3.44Å; S198-L202 VanDerWaalsContact O-CG 3.32Å; S198-L202 WeakPolarHBondContact O-CG 3.3Å; S198-L202 PolarHBondContact O-N 3.45Å | ||
| 199 | S | 96.3 | Very high | 97.9 | Very high | 44 Ų | 44 | 31.8 Ų | 31.8 | 31% | 0.308 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64 | -38.7 | 176.9 | -61 | 0 | 0 | 0 | 0 | 111.7 | H201 L202 Q203 | S199-H201 PolarHBondContact O-N 3.33Å; S199-L202 PolarHBondContact O-N 2.96Å; S199-Q203 WeakPolarHBondContact O-CG 3.46Å; S199-Q203 PolarHBondContact O-N 3.02Å |
| 200 | E | 97 | Very high | 97.9 | Very high | 108 Ų | 108 | 32.2 Ų | 32.2 | 51% | 0.505 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.3 | -39.4 | 178.6 | -59.1 | 81 | -177.8 | 0 | 0 | 111.9 | V163 S198 | V163-E200 HydrophobicContact CG2-CB 3.71Å; S198-E200 VanDerWaalsContact C-N 3.31Å; S198-E200 PolarHBondContact O-N 2.97Å |
| 201 | H | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.7 | -48.6 | 175.5 | -178.2 | 87.1 | 0 | 0 | 0 | 110.9 | E164 D171 S198 S199 Q203 K204 V205 | E164-H201 PolarHBondContact N-ND1 2.79Å; E164-H201 PolarHBondContact O-CE1 3.35Å; E164-H201 PolarHBondContact O-ND1 2.94Å; D171-H201 IonicContact OD2-CD2 3.85Å; D171-H201 IonicContact OD2-NE2 2.71Å; D171-H201 PolarHBondContact OD2-NE2 2.74Å; D171-H201 VanDerWaalsContact OD2-NE2 3.13Å; S198-H201 PolarHBondContact O-N 3.22Å; S198-H201 WeakPolarHBondContact OG-CB 3.2Å; S198-H201 PolarHBondContact OG-N 2.94Å; S199-H201 PolarHBondContact O-N 3.33Å; H201-Q203 VanDerWaalsContact C-N 3.3Å; H201-Q203 PolarHBondContact O-N 2.92Å; H201-K204 WeakPolarHBondContact O-CB 3.46Å; H201-K204 PolarHBondContact O-N 2.82Å; H201-V205 VanDerWaalsContact CD2-CG2 3.48Å; H201-V205 WeakPolarHBondContact CD2-CG2 3.38Å; H201-V205 VanDerWaalsContact NE2-CG2 3.27Å; H201-V205 WeakPolarHBondContact NE2-CG2 3.4Å; H201-V205 WeakPolarHBondContact O-CG2 3.49Å; H201-V205 PolarHBondContact O-N 3.41Å |
| 202 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.1 | -36.5 | -178.4 | -74.5 | 176.1 | 0 | 0 | 0 | 112.9 | I193 L194 R197 S198 S199 K204 V205 F206 V240 | I193-L202 HydrophobicContact CG2-CD2 3.9Å; L194-L202 HydrophobicContact CD2-CD1 4.49Å; L194-L202 HydrophobicContact CD2-CD2 4.02Å; R197-L202 HydrophobicContact CB-CD1 4.12Å; R197-L202 HydrophobicContact CB-CD2 3.64Å; R197-L202 HydrophobicContact CB-CG 3.58Å; R197-L202 HydrophobicContact CG-CD2 4.18Å; S198-L202 WeakPolarHBondContact O-CB 3.44Å; S198-L202 VanDerWaalsContact O-CG 3.32Å; S198-L202 WeakPolarHBondContact O-CG 3.3Å; S198-L202 PolarHBondContact O-N 3.45Å; S199-L202 PolarHBondContact O-N 2.96Å; L202-K204 VanDerWaalsContact C-N 3.3Å; L202-K204 PolarHBondContact O-N 3.22Å; L202-V205 WeakPolarHBondContact O-CB 3.37Å; L202-V205 PolarHBondContact O-N 3.01Å; L202-V205 VanDerWaalsContact O-N 3.17Å; L202-F206 HydrophobicContact CB-CE1 4.27Å; L202-F206 HydrophobicContact CB-CE2 4.29Å; L202-F206 HydrophobicContact CB-CZ 3.92Å; L202-F206 HydrophobicContact CD2-CE1 4.28Å; L202-F206 HydrophobicContact CD2-CZ 4.48Å; L202-F206 VanDerWaalsContact O-CD1 3.27Å; L202-F206 WeakPolarHBondContact O-CD1 3.37Å; L202-F206 WeakPolarHBondContact O-CD2 3.47Å; L202-F206 WeakPolarHBondContact O-CG 3.21Å; L202-F206 PolarHBondContact O-N 3.36Å; L202-V240 HydrophobicContact CB-CG1 3.61Å; L202-V240 HydrophobicContact CB-CG2 4.48Å; L202-V240 HydrophobicContact CD1-CG1 4.44Å; L202-V240 HydrophobicContact CD1-CG2 3.8Å |
| 203 | Q | 98.3 | Very high | 97.8 | Very high | 84 Ų | 84 | 41.7 Ų | 41.7 | 39% | 0.393 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.1 | -44.3 | 173.5 | -75.2 | 178.7 | 35 | 0 | 0 | 111.8 | S199 H201 F206 D207 V240 | S199-Q203 WeakPolarHBondContact O-CG 3.46Å; S199-Q203 PolarHBondContact O-N 3.02Å; H201-Q203 VanDerWaalsContact C-N 3.3Å; H201-Q203 PolarHBondContact O-N 2.92Å; Q203-F206 PolarHBondContact O-N 2.81Å; Q203-D207 PolarHBondContact O-N 3.09Å; Q203-V240 HydrophobicContact CG-CG1 4Å; Q203-V240 PolarHBondContact NE2-O 3Å |
| 204 | K | 98.6 | Very high | 97.7 | Very high | 77 Ų | 77 | 44.4 Ų | 44.4 | 34% | 0.335 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -68.9 | -36.4 | 176.1 | -63.6 | -172.9 | 179.6 | -168.6 | 0 | 112.6 | V163 E165 I168 H201 L202 F206 D207 A208 | V163-K204 HydrophobicContact CG1-CD 3.77Å; E165-K204 VanDerWaalsContact CD-NZ 3.31Å; E165-K204 IonicContact OE1-NZ 2.6Å; E165-K204 PolarHBondContact OE1-NZ 3.26Å; E165-K204 IonicContact OE2-NZ 3.21Å; E165-K204 PolarHBondContact OE2-NZ 3.14Å; I168-K204 HydrophobicContact CD1-CB 3.85Å; I168-K204 HydrophobicContact CD1-CD 3.54Å; I168-K204 HydrophobicContact CD1-CG 4.38Å; I168-K204 HydrophobicContact CG1-CB 4.26Å; I168-K204 HydrophobicContact CG2-CB 4.11Å; H201-K204 WeakPolarHBondContact O-CB 3.46Å; H201-K204 PolarHBondContact O-N 2.82Å; L202-K204 VanDerWaalsContact C-N 3.3Å; L202-K204 PolarHBondContact O-N 3.22Å; K204-F206 VanDerWaalsContact C-N 3.32Å; K204-D207 PolarHBondContact O-N 3.05Å; K204-A208 PolarHBondContact O-N 2.89Å |
| 205 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 173.9 | 172 | 0 | 0 | 0 | 0 | 110.6 | I168 D171 A172 L175 H201 L202 D207 A208 Y209 | I168-V205 HydrophobicContact CG2-CG2 4.27Å; D171-V205 HydrophobicContact CB-CG1 4.15Å; D171-V205 HydrophobicContact CB-CG2 3.97Å; A172-V205 HydrophobicContact CB-CG1 4.2Å; L175-V205 HydrophobicContact CD1-CG1 3.82Å; H201-V205 VanDerWaalsContact CD2-CG2 3.48Å; H201-V205 WeakPolarHBondContact CD2-CG2 3.38Å; H201-V205 VanDerWaalsContact NE2-CG2 3.27Å; H201-V205 WeakPolarHBondContact NE2-CG2 3.4Å; H201-V205 WeakPolarHBondContact O-CG2 3.49Å; H201-V205 PolarHBondContact O-N 3.41Å; L202-V205 WeakPolarHBondContact O-CB 3.37Å; L202-V205 PolarHBondContact O-N 3.01Å; L202-V205 VanDerWaalsContact O-N 3.17Å; V205-D207 PolarHBondContact O-N 3.35Å; V205-A208 PolarHBondContact O-N 3.4Å; V205-Y209 VanDerWaalsContact O-CB 3.27Å; V205-Y209 WeakPolarHBondContact O-CB 3.35Å; V205-Y209 PolarHBondContact O-N 3.36Å |
| 206 | F | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 178.4 | -58.1 | -19.7 | 0 | 0 | 0 | 112.2 | L194 L202 Q203 K204 Y209 K210 I217 V237 V240 R241 | L194-F206 HydrophobicContact CD2-CE1 3.56Å; L194-F206 HydrophobicContact CD2-CZ 3.75Å; L202-F206 HydrophobicContact CB-CE1 4.27Å; L202-F206 HydrophobicContact CB-CE2 4.29Å; L202-F206 HydrophobicContact CB-CZ 3.92Å; L202-F206 HydrophobicContact CD2-CE1 4.28Å; L202-F206 HydrophobicContact CD2-CZ 4.48Å; L202-F206 VanDerWaalsContact O-CD1 3.27Å; L202-F206 WeakPolarHBondContact O-CD1 3.37Å; L202-F206 WeakPolarHBondContact O-CD2 3.47Å; L202-F206 WeakPolarHBondContact O-CG 3.21Å; L202-F206 PolarHBondContact O-N 3.36Å; Q203-F206 PolarHBondContact O-N 2.81Å; K204-F206 VanDerWaalsContact C-N 3.32Å; F206-Y209 PolarHBondContact O-N 2.79Å; F206-K210 PolarHBondContact O-N 3.46Å; F206-I217 HydrophobicContact CB-CG2 4.39Å; F206-I217 HydrophobicContact CD1-CB 4.34Å; F206-I217 HydrophobicContact CD1-CG2 3.74Å; F206-I217 HydrophobicContact CD2-CG2 4.34Å; F206-I217 HydrophobicContact CE1-CG2 4.07Å; F206-I217 HydrophobicContact CG-CG2 3.9Å; F206-I217 HydrophobicContact CZ-CG2 4.49Å; F206-V237 HydrophobicContact CD2-CG1 4.27Å; F206-V237 HydrophobicContact CE2-CB 4.39Å; F206-V237 HydrophobicContact CE2-CG1 3.74Å; F206-V237 HydrophobicContact CE2-CG2 4.43Å; F206-V237 HydrophobicContact CZ-CB 4.37Å; F206-V237 HydrophobicContact CZ-CG1 4.07Å; F206-V237 HydrophobicContact CZ-CG2 3.93Å; F206-V240 HydrophobicContact CD2-CG1 4.39Å; F206-V240 HydrophobicContact CE2-CB 4.09Å; F206-V240 HydrophobicContact CE2-CG1 3.54Å; F206-V240 HydrophobicContact CZ-CG1 4.13Å; F206-R241 HydrophobicContact CD2-CG 4.26Å; F206-R241 HydrophobicContact CE2-CG 4.45Å |
| 207 | D | 98.3 | Very high | 97.6 | Very high | 97 Ų | 97 | 46.3 Ų | 46.3 | 52% | 0.519 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.2 | -38.2 | 174.3 | -70.5 | -17.9 | 0 | 0 | 0 | 112.3 | Q203 K204 V205 K211 | Q203-D207 PolarHBondContact O-N 3.09Å; K204-D207 PolarHBondContact O-N 3.05Å; V205-D207 PolarHBondContact O-N 3.35Å; D207-K211 WeakPolarHBondContact O-CG 3.43Å |
| 208 | A | 98.6 | Very high | 97.6 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.6 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I168 A172 K204 V205 K210 K211 I212 | I168-A208 HydrophobicContact CG2-CB 3.92Å; A172-A208 HydrophobicContact CB-CB 3.76Å; K204-A208 PolarHBondContact O-N 2.89Å; V205-A208 PolarHBondContact O-N 3.4Å; A208-K210 PolarHBondContact O-N 3.34Å; A208-K211 WeakPolarHBondContact O-CB 3.43Å; A208-K211 PolarHBondContact O-N 3.06Å; A208-K211 VanDerWaalsContact O-N 3.15Å; A208-I212 WeakPolarHBondContact O-CG1 3.49Å; A208-I212 PolarHBondContact O-N 2.81Å |
| 209 | Y | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.7 | -50.6 | 176.8 | -178 | -91.4 | 0 | 0 | 0 | 110.7 | L175 V205 F206 K211 I212 S213 I217 S220 | L175-Y209 HydrophobicContact CB-CD2 3.82Å; L175-Y209 HydrophobicContact CB-CE2 3.79Å; V205-Y209 VanDerWaalsContact O-CB 3.27Å; V205-Y209 WeakPolarHBondContact O-CB 3.35Å; V205-Y209 PolarHBondContact O-N 3.36Å; F206-Y209 PolarHBondContact O-N 2.79Å; Y209-K211 PolarHBondContact O-N 2.63Å; Y209-K211 VanDerWaalsContact O-N 3.17Å; Y209-I212 WeakPolarHBondContact O-CA 3.44Å; Y209-I212 WeakPolarHBondContact O-CB 3.46Å; Y209-I212 PolarHBondContact O-N 3.45Å; Y209-S213 WeakPolarHBondContact CD1-OG 3.3Å; Y209-S213 WeakPolarHBondContact CE1-OG 3.43Å; Y209-S213 PolarHBondContact O-N 2.87Å; Y209-S213 PolarHBondContact O-OG 2.9Å; Y209-S213 VanDerWaalsContact O-OG 3.04Å; Y209-I217 HydrophobicContact CD1-CB 3.98Å; Y209-I217 HydrophobicContact CD1-CD1 4.05Å; Y209-I217 HydrophobicContact CD2-CD1 4.02Å; Y209-I217 HydrophobicContact CE1-CB 4.15Å; Y209-I217 HydrophobicContact CE1-CD1 3.76Å; Y209-I217 HydrophobicContact CE2-CD1 3.7Å; Y209-I217 HydrophobicContact CG-CD1 4.18Å; Y209-S220 WeakPolarHBondContact CE1-OG 3.16Å; Y209-S220 WeakPolarHBondContact OH-CB 3.41Å; Y209-S220 PolarHBondContact OH-OG 3.1Å |
| 210 | K | 98.3 | Very high | 97.5 | Very high | 92 Ų | 92 | 48.3 Ų | 48.3 | 40% | 0.4 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.1 | -34.1 | 179 | -171.4 | 175.7 | -163 | 145.5 | 0 | 113.4 | F206 A208 I212 G214 S215 D216 | F206-K210 PolarHBondContact O-N 3.46Å; A208-K210 PolarHBondContact O-N 3.34Å; K210-I212 VanDerWaalsContact C-N 3.31Å; K210-G214 VanDerWaalsContact O-CA 3.28Å; K210-G214 WeakPolarHBondContact O-CA 3.04Å; K210-G214 PolarHBondContact O-N 3.46Å; K210-S215 WeakPolarHBondContact CA-O 3.03Å; K210-D216 VanDerWaalsContact CD-OD1 3.31Å; K210-D216 WeakPolarHBondContact CD-OD1 3.1Å; K210-D216 WeakPolarHBondContact CE-OD1 3.35Å; K210-D216 IonicContact NZ-OD1 3.58Å; K210-D216 PolarHBondContact NZ-OD1 3.5Å; K210-D216 IonicContact NZ-OD2 3.68Å; K210-D216 PolarHBondContact NZ-OD2 3.39Å |
| 211 | K | 98.1 | Very high | 97.5 | Very high | 180 Ų | 180 | 43.1 Ų | 43.1 | 78% | 0.783 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -71.5 | -27.3 | 176.4 | -66.5 | 170.7 | -172.6 | 171.8 | 0 | 112.7 | D207 A208 Y209 | D207-K211 WeakPolarHBondContact O-CG 3.43Å; A208-K211 WeakPolarHBondContact O-CB 3.43Å; A208-K211 PolarHBondContact O-N 3.06Å; A208-K211 VanDerWaalsContact O-N 3.15Å; Y209-K211 PolarHBondContact O-N 2.63Å; Y209-K211 VanDerWaalsContact O-N 3.17Å |
| 212 | I | 96.5 | Very high | 97.4 | Very high | 64 Ų | 64 | 48.1 Ų | 48.1 | 33% | 0.328 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -87 | -51.8 | -178.7 | -65 | 165.2 | 0 | 0 | 0 | 110.6 | A172 K173 Y176 A208 Y209 K210 | A172-I212 HydrophobicContact CB-CD1 3.84Å; K173-I212 HydrophobicContact CG-CD1 3.81Å; Y176-I212 HydrophobicContact CD1-CG2 4.06Å; Y176-I212 HydrophobicContact CD2-CG2 4.41Å; Y176-I212 HydrophobicContact CG-CG2 3.94Å; A208-I212 WeakPolarHBondContact O-CG1 3.49Å; A208-I212 PolarHBondContact O-N 2.81Å; Y209-I212 WeakPolarHBondContact O-CA 3.44Å; Y209-I212 WeakPolarHBondContact O-CB 3.46Å; Y209-I212 PolarHBondContact O-N 3.45Å; K210-I212 VanDerWaalsContact C-N 3.31Å |
| 213 | S | 95.4 | Very high | 97.2 | Very high | 23 Ų | 23 | 51 Ų | 51 | 16% | 0.161 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -82.4 | -32.3 | -174.9 | 61.5 | 0 | 0 | 0 | 0 | 113 | E180 Y209 S215 | E180-S213 WeakPolarHBondContact OE2-CB 3.45Å; Y209-S213 WeakPolarHBondContact CD1-OG 3.3Å; Y209-S213 WeakPolarHBondContact CE1-OG 3.43Å; Y209-S213 PolarHBondContact O-N 2.87Å; Y209-S213 PolarHBondContact O-OG 2.9Å; Y209-S213 VanDerWaalsContact O-OG 3.04Å; S213-S215 PolarHBondContact OG-N 3.49Å; S213-S215 VanDerWaalsContact OG-N 3.08Å; S213-S215 PolarHBondContact OG-O 3.37Å |
| 214 | G | 95.8 | Very high | 96.9 | Very high | 61 Ų | 61 | 49.6 Ų | 49.6 | 63% | 0.629 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 83 | -7.1 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K210 | K210-G214 VanDerWaalsContact O-CA 3.28Å; K210-G214 WeakPolarHBondContact O-CA 3.04Å; K210-G214 PolarHBondContact O-N 3.46Å |
| 215 | S | 94.9 | Very high | 96.8 | Very high | 37 Ų | 37 | 46.1 Ų | 46.1 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -112.1 | 152.2 | -179.5 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | E180 K210 S213 | E180-S215 VanDerWaalsContact OE1-CB 3.26Å; E180-S215 WeakPolarHBondContact OE1-CB 3.34Å; E180-S215 PolarHBondContact OE1-OG 3.03Å; E180-S215 VanDerWaalsContact OE1-OG 3.08Å; K210-S215 WeakPolarHBondContact CA-O 3.03Å; S213-S215 PolarHBondContact OG-N 3.49Å; S213-S215 VanDerWaalsContact OG-N 3.08Å; S213-S215 PolarHBondContact OG-O 3.37Å |
| 216 | D | 97.4 | Very high | 96.6 | Very high | 50 Ų | 50 | 51.8 Ų | 51.8 | 27% | 0.267 | 30% | 0.297 | S | S | . | . | trans | -70.2 | 144.8 | 164.5 | -75.3 | -51.4 | 0 | 0 | 0 | 109.7 | K210 E218 D219 S220 | K210-D216 VanDerWaalsContact CD-OD1 3.31Å; K210-D216 WeakPolarHBondContact CD-OD1 3.1Å; K210-D216 WeakPolarHBondContact CE-OD1 3.35Å; K210-D216 IonicContact NZ-OD1 3.58Å; K210-D216 PolarHBondContact NZ-OD1 3.5Å; K210-D216 IonicContact NZ-OD2 3.68Å; K210-D216 PolarHBondContact NZ-OD2 3.39Å; D216-E218 PolarHBondContact O-N 3.31Å; D216-E218 VanDerWaalsContact O-N 3.13Å; D216-D219 PolarHBondContact O-N 3.31Å; D216-S220 PolarHBondContact O-N 3.37Å; D216-S220 PolarHBondContact O-OG 3.18Å | ||
| 217 | I | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.1 | -30.6 | -177.1 | -173.4 | 63.1 | 0 | 0 | 0 | 112.1 | L175 F190 F206 Y209 D219 S220 I221 V237 | L175-I217 HydrophobicContact CB-CD1 4.47Å; L175-I217 HydrophobicContact CD1-CD1 4.31Å; F190-I217 HydrophobicContact CE1-CD1 3.75Å; F190-I217 HydrophobicContact CZ-CD1 4.29Å; F206-I217 HydrophobicContact CB-CG2 4.39Å; F206-I217 HydrophobicContact CD1-CB 4.34Å; F206-I217 HydrophobicContact CD1-CG2 3.74Å; F206-I217 HydrophobicContact CD2-CG2 4.34Å; F206-I217 HydrophobicContact CE1-CG2 4.07Å; F206-I217 HydrophobicContact CG-CG2 3.9Å; F206-I217 HydrophobicContact CZ-CG2 4.49Å; Y209-I217 HydrophobicContact CD1-CB 3.98Å; Y209-I217 HydrophobicContact CD1-CD1 4.05Å; Y209-I217 HydrophobicContact CD2-CD1 4.02Å; Y209-I217 HydrophobicContact CE1-CB 4.15Å; Y209-I217 HydrophobicContact CE1-CD1 3.76Å; Y209-I217 HydrophobicContact CE2-CD1 3.7Å; Y209-I217 HydrophobicContact CG-CD1 4.18Å; I217-D219 VanDerWaalsContact C-N 3.32Å; I217-D219 PolarHBondContact O-N 3.35Å; I217-S220 PolarHBondContact O-N 3.47Å; I217-I221 HydrophobicContact CG1-CD1 4.07Å; I217-I221 HydrophobicContact CG1-CG1 4.48Å; I217-I221 WeakPolarHBondContact O-CD1 3.15Å; I217-I221 VanDerWaalsContact O-CG1 3.27Å; I217-I221 WeakPolarHBondContact O-CG1 3.35Å; I217-I221 PolarHBondContact O-N 2.88Å; I217-V237 HydrophobicContact CG2-CG1 3.75Å; I217-V237 HydrophobicContact CG2-CG2 4.26Å |
| 218 | E | 97.7 | Very high | 96.5 | Very high | 30 Ų | 30 | 51.9 Ų | 51.9 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 174.7 | -65.9 | 94.1 | 144.7 | 0 | 0 | 113.2 | D216 K222 L234 V237 R241 | D216-E218 PolarHBondContact O-N 3.31Å; D216-E218 VanDerWaalsContact O-N 3.13Å; E218-K222 WeakPolarHBondContact O-CG 3.34Å; E218-K222 PolarHBondContact O-N 2.98Å; E218-L234 HydrophobicContact CB-CD2 3.93Å; E218-L234 HydrophobicContact CG-CD2 4.19Å; E218-V237 VanDerWaalsContact CD-CG1 3.43Å; E218-V237 HydrophobicContact CG-CB 4.41Å; E218-V237 HydrophobicContact CG-CG1 3.7Å; E218-V237 WeakPolarHBondContact OE1-CG1 3.23Å; E218-R241 WeakPolarHBondContact OE1-CD 3.43Å; E218-R241 IonicContact OE1-CZ 3.09Å; E218-R241 IonicContact OE1-NE 2.93Å; E218-R241 PolarHBondContact OE1-NE 2.79Å; E218-R241 IonicContact OE1-NH2 3.73Å; E218-R241 IonicContact OE2-CZ 2.65Å; E218-R241 IonicContact OE2-NE 3.53Å; E218-R241 IonicContact OE2-NH2 2.94Å; E218-R241 PolarHBondContact OE2-NH2 3.24Å |
| 219 | D | 96.7 | Very high | 96.5 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 47% | 0.465 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72.7 | -39.4 | -179.8 | -65.3 | -32.9 | 0 | 0 | 0 | 110.3 | D216 I217 K222 G223 | D216-D219 PolarHBondContact O-N 3.31Å; I217-D219 VanDerWaalsContact C-N 3.32Å; I217-D219 PolarHBondContact O-N 3.35Å; D219-K222 PolarHBondContact O-N 3.45Å; D219-G223 PolarHBondContact O-N 2.62Å |
| 220 | S | 95.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 173.9 | -43.9 | 0 | 0 | 0 | 0 | 111.4 | E180 Y209 D216 I217 K222 G223 E224 | E180-S220 WeakPolarHBondContact OE1-CB 3.37Å; E180-S220 PolarHBondContact OE1-OG 3.05Å; Y209-S220 WeakPolarHBondContact CE1-OG 3.16Å; Y209-S220 WeakPolarHBondContact OH-CB 3.41Å; Y209-S220 PolarHBondContact OH-OG 3.1Å; D216-S220 PolarHBondContact O-N 3.37Å; D216-S220 PolarHBondContact O-OG 3.18Å; I217-S220 PolarHBondContact O-N 3.47Å; S220-K222 VanDerWaalsContact C-N 3.34Å; S220-K222 PolarHBondContact O-N 3.4Å; S220-G223 PolarHBondContact O-N 3.41Å; S220-E224 VanDerWaalsContact O-CB 3.24Å; S220-E224 WeakPolarHBondContact O-CB 3.4Å; S220-E224 VanDerWaalsContact O-CG 3.22Å; S220-E224 WeakPolarHBondContact O-CG 3.47Å; S220-E224 PolarHBondContact O-N 3.15Å |
| 221 | I | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 175.6 | -72.2 | 162.3 | 0 | 0 | 0 | 111.4 | F190 L194 I217 G223 E224 T225 E230 L233 L234 V237 | F190-I221 HydrophobicContact CD1-CG1 4.12Å; F190-I221 HydrophobicContact CE1-CG1 3.79Å; L194-I221 HydrophobicContact CD1-CD1 4.32Å; I217-I221 HydrophobicContact CG1-CD1 4.07Å; I217-I221 HydrophobicContact CG1-CG1 4.48Å; I217-I221 WeakPolarHBondContact O-CD1 3.15Å; I217-I221 VanDerWaalsContact O-CG1 3.27Å; I217-I221 WeakPolarHBondContact O-CG1 3.35Å; I217-I221 PolarHBondContact O-N 2.88Å; I221-G223 VanDerWaalsContact C-N 3.3Å; I221-G223 PolarHBondContact O-N 2.71Å; I221-E224 PolarHBondContact O-N 2.78Å; I221-T225 WeakPolarHBondContact CG2-OG1 3.29Å; I221-T225 PolarHBondContact O-N 3Å; I221-T225 PolarHBondContact O-OG1 3.26Å; I221-E230 HydrophobicContact CG2-CG 4.13Å; I221-L233 HydrophobicContact CD1-CB 4.13Å; I221-L233 HydrophobicContact CG1-CB 4.47Å; I221-L233 HydrophobicContact CG2-CB 3.8Å; I221-L233 HydrophobicContact CG2-CD1 4.27Å; I221-L234 HydrophobicContact CB-CD2 4.08Å; I221-L234 HydrophobicContact CG2-CD2 3.88Å; I221-L234 HydrophobicContact CG2-CG 3.86Å; I221-V237 HydrophobicContact CD1-CG2 3.68Å |
| 222 | K | 96.6 | Very high | 96.5 | Very high | 105 Ų | 105 | 44.4 Ų | 44.4 | 46% | 0.457 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.6 | -29.3 | 178.2 | -70 | 168.3 | -173.2 | 165.8 | 0 | 113.5 | E218 D219 S220 L234 | E218-K222 WeakPolarHBondContact O-CG 3.34Å; E218-K222 PolarHBondContact O-N 2.98Å; D219-K222 PolarHBondContact O-N 3.45Å; S220-K222 VanDerWaalsContact C-N 3.34Å; S220-K222 PolarHBondContact O-N 3.4Å; K222-L234 HydrophobicContact CG-CD1 3.9Å; K222-L234 HydrophobicContact CG-CD2 4.29Å |
| 223 | G | 93.3 | Very high | 96.6 | Very high | 62 Ų | 62 | 41.4 Ų | 41.4 | 64% | 0.639 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -77.8 | -30.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D219 S220 I221 | D219-G223 PolarHBondContact O-N 2.62Å; S220-G223 PolarHBondContact O-N 3.41Å; I221-G223 VanDerWaalsContact C-N 3.3Å; I221-G223 PolarHBondContact O-N 2.71Å |
| 224 | E | 93 | Very high | 96.8 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 25% | 0.248 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -107.1 | -18.5 | -166.6 | -67.8 | -55.1 | 138.6 | 0 | 0 | 113.9 | T185 S220 I221 | T185-E224 HydrophobicContact CG2-CB 3.89Å; T185-E224 VanDerWaalsContact OG1-CB 3.32Å; T185-E224 WeakPolarHBondContact OG1-CB 3.35Å; T185-E224 PolarHBondContact OG1-O 2.73Å; T185-E224 PolarHBondContact OG1-OE2 3.49Å; T185-E224 VanDerWaalsContact OG1-OE2 3.12Å; S220-E224 VanDerWaalsContact O-CB 3.24Å; S220-E224 WeakPolarHBondContact O-CB 3.4Å; S220-E224 VanDerWaalsContact O-CG 3.22Å; S220-E224 WeakPolarHBondContact O-CG 3.47Å; S220-E224 PolarHBondContact O-N 3.15Å; I221-E224 PolarHBondContact O-N 2.78Å |
| 225 | T | 94.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | trans | -128 | 165.8 | -179.8 | 62.7 | 0 | 0 | 0 | 0 | 110.9 | T185 I221 L229 E230 L233 | T185-T225 HydrophobicContact CG2-CG2 4.22Å; I221-T225 WeakPolarHBondContact CG2-OG1 3.29Å; I221-T225 PolarHBondContact O-N 3Å; I221-T225 PolarHBondContact O-OG1 3.26Å; T225-L229 HydrophobicContact CG2-CD2 4.23Å; T225-E230 VanDerWaalsContact OG1-CA 3.3Å; T225-E230 WeakPolarHBondContact OG1-CA 3.23Å; T225-E230 WeakPolarHBondContact OG1-CB 3.14Å; T225-L233 HydrophobicContact CG2-CD1 3.95Å | ||
| 226 | T | 94.8 | Very high | 97.1 | Very high | 119 Ų | 119 | 36.4 Ų | 36.4 | 73% | 0.73 | 22% | 0.216 | S | C | * | . | trans | -143.6 | 161.8 | 175.8 | 59.2 | 0 | 0 | 0 | 0 | 111.6 | E230 | T226-E230 WeakPolarHBondContact CA-OE2 3.32Š| ||
| 227 | G | 97.3 | Very high | 97.1 | Very high | 43 Ų | 43 | 34 Ų | 34 | 44% | 0.443 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | 64.5 | -150 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L229 E230 D231 | G227-L229 PolarHBondContact O-N 3Å; G227-L229 VanDerWaalsContact O-N 3.09Å; G227-E230 WeakPolarHBondContact O-CB 3.28Å; G227-E230 PolarHBondContact O-N 3.34Å; G227-D231 PolarHBondContact O-N 2.96Å; G227-D231 VanDerWaalsContact O-N 3.09Å |
| 228 | N | 97.9 | Very high | 97.2 | Very high | 59 Ų | 59 | 36.5 Ų | 36.5 | 32% | 0.316 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.7 | -26.6 | -171.8 | -61.8 | -8.8 | 0 | 0 | 0 | 114.3 | D105 Y147 L232 | D105-N228 PolarHBondContact OD1-ND2 3.37Å; D105-N228 PolarHBondContact OD2-ND2 2.85Å; Y147-N228 HydrophobicContact CD1-CB 3.99Å; Y147-N228 HydrophobicContact CD2-CB 3.68Å; Y147-N228 VanDerWaalsContact CD2-O 3.31Å; Y147-N228 WeakPolarHBondContact CD2-O 3.43Å; Y147-N228 HydrophobicContact CE1-CB 4Å; Y147-N228 HydrophobicContact CE2-CB 3.72Å; Y147-N228 HydrophobicContact CG-CB 3.81Å; N228-L232 VanDerWaalsContact O-CB 3.27Å; N228-L232 WeakPolarHBondContact O-CB 3.06Å; N228-L232 PolarHBondContact O-N 2.7Å |
| 229 | L | 98.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.2 | -45.6 | 174.4 | 178.8 | 63.2 | 0 | 0 | 0 | 111.1 | L150 E187 T225 G227 D231 L232 L233 | L150-L229 HydrophobicContact CD2-CD1 4.41Å; E187-L229 HydrophobicContact CB-CD2 4.2Å; E187-L229 HydrophobicContact CG-CD2 3.79Å; E187-L229 WeakPolarHBondContact OE1-CD2 3.27Å; T225-L229 HydrophobicContact CG2-CD2 4.23Å; G227-L229 PolarHBondContact O-N 3Å; G227-L229 VanDerWaalsContact O-N 3.09Å; L229-D231 VanDerWaalsContact C-N 3.35Å; L229-L232 PolarHBondContact O-N 3.41Å; L229-L233 HydrophobicContact CD1-CD1 3.97Å; L229-L233 HydrophobicContact CD1-CG 4.07Å; L229-L233 HydrophobicContact CG-CD1 3.85Å; L229-L233 HydrophobicContact CG-CG 4.37Å; L229-L233 WeakPolarHBondContact O-CB 3.39Å; L229-L233 VanDerWaalsContact O-CG 3.26Å; L229-L233 WeakPolarHBondContact O-CG 3.4Å; L229-L233 PolarHBondContact O-N 3.06Å |
| 230 | E | 98.4 | Very high | 97.3 | Very high | 41 Ų | 41 | 31.7 Ų | 31.7 | 19% | 0.192 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.8 | -50.5 | 175.4 | -173.2 | -166.4 | 140.9 | 0 | 0 | 110 | I221 T225 T226 G227 L232 L233 L234 | I221-E230 HydrophobicContact CG2-CG 4.13Å; T225-E230 VanDerWaalsContact OG1-CA 3.3Å; T225-E230 WeakPolarHBondContact OG1-CA 3.23Å; T225-E230 WeakPolarHBondContact OG1-CB 3.14Å; T226-E230 WeakPolarHBondContact CA-OE2 3.32Å; G227-E230 WeakPolarHBondContact O-CB 3.28Å; G227-E230 PolarHBondContact O-N 3.34Å; E230-L232 VanDerWaalsContact C-N 3.32Å; E230-L232 PolarHBondContact O-N 3.45Å; E230-L233 PolarHBondContact O-N 3.42Å; E230-L234 HydrophobicContact CG-CD1 4.01Å; E230-L234 HydrophobicContact CG-CG 4.46Å; E230-L234 WeakPolarHBondContact O-CB 3.39Å; E230-L234 VanDerWaalsContact O-CG 3.29Å; E230-L234 WeakPolarHBondContact O-CG 3.03Å; E230-L234 PolarHBondContact O-N 3.24Å |
| 231 | D | 98.6 | Very high | 97.4 | Very high | 80 Ų | 80 | 35.6 Ų | 35.6 | 43% | 0.428 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.9 | -43.1 | -179.7 | -70.9 | -29.5 | 0 | 0 | 0 | 112 | I109 G227 L229 A235 | I109-D231 HydrophobicContact CD1-CB 3.76Å; G227-D231 PolarHBondContact O-N 2.96Å; G227-D231 VanDerWaalsContact O-N 3.09Å; L229-D231 VanDerWaalsContact C-N 3.35Å; D231-A235 VanDerWaalsContact O-CB 3.32Å; D231-A235 WeakPolarHBondContact O-CB 3.2Å; D231-A235 PolarHBondContact O-N 2.78Å |
| 232 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.7 | -44.8 | 178.4 | -177.2 | 56 | 0 | 0 | 0 | 112.6 | I109 Y147 L150 L151 L154 N228 L229 E230 L234 A235 V236 | I109-L232 HydrophobicContact CB-CD1 4.25Å; I109-L232 HydrophobicContact CD1-CB 4.36Å; I109-L232 HydrophobicContact CG1-CB 4Å; I109-L232 HydrophobicContact CG1-CD1 3.99Å; I109-L232 HydrophobicContact CG2-CD1 4.07Å; Y147-L232 HydrophobicContact CD2-CB 4.13Å; Y147-L232 HydrophobicContact CD2-CD2 3.75Å; Y147-L232 HydrophobicContact CE2-CB 4.15Å; Y147-L232 HydrophobicContact CE2-CD2 3.86Å; L150-L232 HydrophobicContact CB-CD2 3.77Å; L150-L232 HydrophobicContact CD2-CB 4.42Å; L150-L232 HydrophobicContact CD2-CD2 3.7Å; L150-L232 HydrophobicContact CD2-CG 3.7Å; L150-L232 HydrophobicContact CG-CD2 3.6Å; L150-L232 HydrophobicContact CG-CG 4.02Å; L151-L232 HydrophobicContact CD2-CD1 4.03Å; L151-L232 HydrophobicContact CD2-CD2 3.53Å; L151-L232 HydrophobicContact CD2-CG 4.44Å; L151-L232 HydrophobicContact CG-CD2 3.77Å; L154-L232 HydrophobicContact CD1-CD1 3.76Å; L154-L232 HydrophobicContact CD1-CD2 4.49Å; L154-L232 HydrophobicContact CD1-CG 4.4Å; N228-L232 VanDerWaalsContact O-CB 3.27Å; N228-L232 WeakPolarHBondContact O-CB 3.06Å; N228-L232 PolarHBondContact O-N 2.7Å; L229-L232 PolarHBondContact O-N 3.41Å; E230-L232 VanDerWaalsContact C-N 3.32Å; E230-L232 PolarHBondContact O-N 3.45Å; L232-L234 VanDerWaalsContact C-N 3.35Å; L232-A235 PolarHBondContact O-N 2.8Å; L232-V236 HydrophobicContact CD1-CG2 4.44Å; L232-V236 WeakPolarHBondContact O-CG2 3.43Å; L232-V236 PolarHBondContact O-N 3.19Å |
| 233 | L | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 177.5 | -72.6 | 169.6 | 0 | 0 | 0 | 110.6 | L150 F190 L194 I221 T225 L229 E230 A235 V236 V237 | L150-L233 HydrophobicContact CD2-CD2 3.56Å; L150-L233 HydrophobicContact CD2-CG 4.02Å; F190-L233 HydrophobicContact CB-CD2 4.27Å; L194-L233 HydrophobicContact CD1-CD2 3.72Å; I221-L233 HydrophobicContact CD1-CB 4.13Å; I221-L233 HydrophobicContact CG1-CB 4.47Å; I221-L233 HydrophobicContact CG2-CB 3.8Å; I221-L233 HydrophobicContact CG2-CD1 4.27Å; T225-L233 HydrophobicContact CG2-CD1 3.95Å; L229-L233 HydrophobicContact CD1-CD1 3.97Å; L229-L233 HydrophobicContact CD1-CG 4.07Å; L229-L233 HydrophobicContact CG-CD1 3.85Å; L229-L233 HydrophobicContact CG-CG 4.37Å; L229-L233 WeakPolarHBondContact O-CB 3.39Å; L229-L233 VanDerWaalsContact O-CG 3.26Å; L229-L233 WeakPolarHBondContact O-CG 3.4Å; L229-L233 PolarHBondContact O-N 3.06Å; E230-L233 PolarHBondContact O-N 3.42Å; L233-A235 PolarHBondContact O-N 3.2Å; L233-V236 PolarHBondContact O-N 3.12Å; L233-V237 WeakPolarHBondContact O-CG2 3.27Å; L233-V237 PolarHBondContact O-N 3.11Å |
| 234 | L | 98.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 175.9 | -70.9 | 177.1 | 0 | 0 | 0 | 112 | E218 I221 K222 E230 L232 V236 V237 K238 | E218-L234 HydrophobicContact CB-CD2 3.93Å; E218-L234 HydrophobicContact CG-CD2 4.19Å; I221-L234 HydrophobicContact CB-CD2 4.08Å; I221-L234 HydrophobicContact CG2-CD2 3.88Å; I221-L234 HydrophobicContact CG2-CG 3.86Å; K222-L234 HydrophobicContact CG-CD1 3.9Å; K222-L234 HydrophobicContact CG-CD2 4.29Å; E230-L234 HydrophobicContact CG-CD1 4.01Å; E230-L234 HydrophobicContact CG-CG 4.46Å; E230-L234 WeakPolarHBondContact O-CB 3.39Å; E230-L234 VanDerWaalsContact O-CG 3.29Å; E230-L234 WeakPolarHBondContact O-CG 3.03Å; E230-L234 PolarHBondContact O-N 3.24Å; L232-L234 VanDerWaalsContact C-N 3.35Å; L234-V236 VanDerWaalsContact C-N 3.33Å; L234-V236 PolarHBondContact O-N 3.37Å; L234-V237 PolarHBondContact O-N 3.05Å; L234-K238 WeakPolarHBondContact O-CB 3.34Å; L234-K238 WeakPolarHBondContact O-CG 3.36Å; L234-K238 PolarHBondContact O-N 3.17Å |
| 235 | A | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I109 A113 D231 L232 L233 K238 C239 F246 | I109-A235 HydrophobicContact CG2-CB 3.42Å; I109-A235 VanDerWaalsContact CG2-CB 3.42Å; A113-A235 HydrophobicContact CB-CB 3.76Å; D231-A235 VanDerWaalsContact O-CB 3.32Å; D231-A235 WeakPolarHBondContact O-CB 3.2Å; D231-A235 PolarHBondContact O-N 2.78Å; L232-A235 PolarHBondContact O-N 2.8Å; L233-A235 PolarHBondContact O-N 3.2Å; A235-K238 PolarHBondContact O-N 3Å; A235-C239 WeakPolarHBondContact O-CB 3.25Å; A235-C239 PolarHBondContact O-N 3Å; A235-C239 PolarHBondContact O-SG 3.09Å; A235-F246 HydrophobicContact CB-CE2 3.8Å; A235-F246 HydrophobicContact CB-CZ 4.26Å |
| 236 | V | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61 | -49.8 | 175.1 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | A113 L154 L194 L232 L233 L234 K238 C239 V240 | A113-V236 HydrophobicContact CB-CG2 4.05Å; L154-V236 HydrophobicContact CD1-CG2 3.86Å; L154-V236 HydrophobicContact CD2-CG2 4.11Å; L194-V236 HydrophobicContact CB-CG1 4.25Å; L194-V236 WeakPolarHBondContact O-CG1 3.39Å; L232-V236 HydrophobicContact CD1-CG2 4.44Å; L232-V236 WeakPolarHBondContact O-CG2 3.43Å; L232-V236 PolarHBondContact O-N 3.19Å; L233-V236 PolarHBondContact O-N 3.12Å; L234-V236 VanDerWaalsContact C-N 3.33Å; L234-V236 PolarHBondContact O-N 3.37Å; V236-K238 PolarHBondContact O-N 3.13Å; V236-C239 PolarHBondContact O-N 3.3Å; V236-V240 HydrophobicContact CG1-CG2 4.4Å; V236-V240 WeakPolarHBondContact O-CB 3.5Å; V236-V240 VanDerWaalsContact O-CG2 3.29Å; V236-V240 WeakPolarHBondContact O-CG2 3.47Å; V236-V240 PolarHBondContact O-N 3.2Å |
| 237 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 179 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L194 F206 I217 E218 I221 L233 L234 C239 V240 R241 | L194-V237 HydrophobicContact CD1-CG2 4.28Å; L194-V237 HydrophobicContact CD2-CG2 4.3Å; F206-V237 HydrophobicContact CD2-CG1 4.27Å; F206-V237 HydrophobicContact CE2-CB 4.39Å; F206-V237 HydrophobicContact CE2-CG1 3.74Å; F206-V237 HydrophobicContact CE2-CG2 4.43Å; F206-V237 HydrophobicContact CZ-CB 4.37Å; F206-V237 HydrophobicContact CZ-CG1 4.07Å; F206-V237 HydrophobicContact CZ-CG2 3.93Å; I217-V237 HydrophobicContact CG2-CG1 3.75Å; I217-V237 HydrophobicContact CG2-CG2 4.26Å; E218-V237 VanDerWaalsContact CD-CG1 3.43Å; E218-V237 HydrophobicContact CG-CB 4.41Å; E218-V237 HydrophobicContact CG-CG1 3.7Å; E218-V237 WeakPolarHBondContact OE1-CG1 3.23Å; I221-V237 HydrophobicContact CD1-CG2 3.68Å; L233-V237 WeakPolarHBondContact O-CG2 3.27Å; L233-V237 PolarHBondContact O-N 3.11Å; L234-V237 PolarHBondContact O-N 3.05Å; V237-C239 PolarHBondContact O-N 2.88Å; V237-V240 PolarHBondContact O-N 3.49Å; V237-R241 WeakPolarHBondContact O-CG 2.99Å; V237-R241 PolarHBondContact O-N 3.37Å |
| 238 | K | 98.6 | Very high | 98.4 | Very high | 52 Ų | 52 | 24 Ų | 24 | 23% | 0.226 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 178.3 | -71.2 | 172.3 | -176.1 | -175.6 | 0 | 112 | L234 A235 V236 R241 N242 F246 E249 | L234-K238 WeakPolarHBondContact O-CB 3.34Å; L234-K238 WeakPolarHBondContact O-CG 3.36Å; L234-K238 PolarHBondContact O-N 3.17Å; A235-K238 PolarHBondContact O-N 3Å; V236-K238 PolarHBondContact O-N 3.13Å; K238-R241 PolarHBondContact O-N 3.44Å; K238-N242 CarbonylContact O-C 3.59Å; K238-N242 PolarHBondContact O-N 2.94Å; K238-F246 HydrophobicContact CB-CB 4.1Å; K238-F246 HydrophobicContact CB-CD2 4.03Å; K238-F246 HydrophobicContact CB-CG 4.5Å; K238-F246 HydrophobicContact CD-CD2 4.22Å; K238-E249 WeakPolarHBondContact CD-OE2 3.47Å; K238-E249 WeakPolarHBondContact CE-OE2 3.38Å; K238-E249 IonicContact NZ-OE1 2.8Å; K238-E249 PolarHBondContact NZ-OE1 3.24Å; K238-E249 IonicContact NZ-OE2 3.65Å; K238-E249 PolarHBondContact NZ-OE2 2.91Å |
| 239 | C | 98.5 | Very high | 98.5 | Very high | 10 Ų | 10 | 23.5 Ų | 23.5 | 7% | 0.068 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.3 | -40.1 | 176.8 | -72.3 | 0 | 0 | 0 | 0 | 112.3 | A113 A235 V236 V237 R241 N242 V243 F246 | A113-C239 WeakPolarHBondContact O-CB 3.3Å; A235-C239 WeakPolarHBondContact O-CB 3.25Å; A235-C239 PolarHBondContact O-N 3Å; A235-C239 PolarHBondContact O-SG 3.09Å; V236-C239 PolarHBondContact O-N 3.3Å; V237-C239 PolarHBondContact O-N 2.88Å; C239-R241 VanDerWaalsContact C-N 3.28Å; C239-R241 PolarHBondContact O-N 2.9Å; C239-N242 PolarHBondContact O-N 3.09Å; C239-V243 HydrophobicContact CB-CG2 4.03Å; C239-V243 VanDerWaalsContact O-CG2 3.23Å; C239-V243 WeakPolarHBondContact O-CG2 3.3Å; C239-V243 PolarHBondContact O-N 3.39Å; C239-F246 VanDerWaalsContact SG-CD1 3.52Å; C239-F246 VanDerWaalsContact SG-CG 3.59Å |
| 240 | V | 97.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 24 Ų | 24 | 4% | 0.036 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.4 | -40.3 | 174.2 | 163.9 | 0 | 0 | 0 | 0 | 111.5 | L202 Q203 F206 V236 V237 | L202-V240 HydrophobicContact CB-CG1 3.61Å; L202-V240 HydrophobicContact CB-CG2 4.48Å; L202-V240 HydrophobicContact CD1-CG1 4.44Å; L202-V240 HydrophobicContact CD1-CG2 3.8Å; Q203-V240 HydrophobicContact CG-CG1 4Å; Q203-V240 PolarHBondContact NE2-O 3Å; F206-V240 HydrophobicContact CD2-CG1 4.39Å; F206-V240 HydrophobicContact CE2-CB 4.09Å; F206-V240 HydrophobicContact CE2-CG1 3.54Å; F206-V240 HydrophobicContact CZ-CG1 4.13Å; V236-V240 HydrophobicContact CG1-CG2 4.4Å; V236-V240 WeakPolarHBondContact O-CB 3.5Å; V236-V240 VanDerWaalsContact O-CG2 3.29Å; V236-V240 WeakPolarHBondContact O-CG2 3.47Å; V236-V240 PolarHBondContact O-N 3.2Å; V237-V240 PolarHBondContact O-N 3.49Å |
| 241 | R | 97.2 | Very high | 98.5 | Very high | 84 Ų | 84 | 22.1 Ų | 22.1 | 32% | 0.317 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -74 | -49.2 | 178.2 | -69.3 | -170.7 | -172.9 | -88.6 | 13.2 | 112.3 | F206 E218 V237 K238 C239 | F206-R241 HydrophobicContact CD2-CG 4.26Å; F206-R241 HydrophobicContact CE2-CG 4.45Å; E218-R241 WeakPolarHBondContact OE1-CD 3.43Å; E218-R241 IonicContact OE1-CZ 3.09Å; E218-R241 IonicContact OE1-NE 2.93Å; E218-R241 PolarHBondContact OE1-NE 2.79Å; E218-R241 IonicContact OE1-NH2 3.73Å; E218-R241 IonicContact OE2-CZ 2.65Å; E218-R241 IonicContact OE2-NE 3.53Å; E218-R241 IonicContact OE2-NH2 2.94Å; E218-R241 PolarHBondContact OE2-NH2 3.24Å; V237-R241 WeakPolarHBondContact O-CG 2.99Å; V237-R241 PolarHBondContact O-N 3.37Å; K238-R241 PolarHBondContact O-N 3.44Å; C239-R241 VanDerWaalsContact C-N 3.28Å; C239-R241 PolarHBondContact O-N 2.9Å |
| 242 | N | 97.8 | Very high | 98.4 | Very high | 61 Ų | 61 | 21.1 Ų | 21.1 | 33% | 0.326 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -168.3 | 91.5 | -169.5 | -177 | 3.9 | 0 | 0 | 0 | 111.1 | K238 C239 P244 G245 F246 N283 | K238-N242 CarbonylContact O-C 3.59Å; K238-N242 PolarHBondContact O-N 2.94Å; C239-N242 PolarHBondContact O-N 3.09Å; N242-P244 WeakPolarHBondContact OD1-CD 3.41Å; N242-G245 WeakPolarHBondContact O-CA 3.43Å; N242-G245 PolarHBondContact O-N 2.93Å; N242-G245 PolarHBondContact OD1-N 3.45Å; N242-G245 VanDerWaalsContact OD1-N 3.08Å; N242-F246 PolarHBondContact O-N 3.46Å; N242-N283 PolarHBondContact ND2-OD1 2.97Å |
| 243 | V | 98.3 | Very high | 98.3 | Very high | 37 Ų | 37 | 24.1 Ų | 24.1 | 22% | 0.224 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -53.2 | -46.3 | 176.2 | 177.7 | 0 | 0 | 0 | 0 | 112.7 | C239 G245 F246 F247 | C239-V243 HydrophobicContact CB-CG2 4.03Å; C239-V243 VanDerWaalsContact O-CG2 3.23Å; C239-V243 WeakPolarHBondContact O-CG2 3.3Å; C239-V243 PolarHBondContact O-N 3.39Å; V243-G245 VanDerWaalsContact C-N 3.28Å; V243-G245 PolarHBondContact O-N 3.12Å; V243-F246 WeakPolarHBondContact O-CB 3.45Å; V243-F246 PolarHBondContact O-N 3.06Å; V243-F247 HydrophobicContact CG1-CD2 3.8Å; V243-F247 HydrophobicContact CG1-CE2 3.55Å; V243-F247 WeakPolarHBondContact O-CD2 3.49Å; V243-F247 PolarHBondContact O-N 3.25Å; V243-F247 VanDerWaalsContact O-N 3.13Å |
| 244 | P | 98.7 | Very high | 98.2 | Very high | 22 Ų | 22 | 24.3 Ų | 24.3 | 14% | 0.143 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58 | -36.7 | 173 | -27.4 | 32.6 | 0 | 0 | 0 | 114.5 | N242 F247 A248 D276 D279 I280 | N242-P244 WeakPolarHBondContact OD1-CD 3.41Å; P244-F247 PolarHBondContact O-N 3.14Å; P244-A248 WeakPolarHBondContact O-CB 3.38Å; P244-A248 PolarHBondContact O-N 3.43Å; P244-D276 HydrophobicContact CG-CB 4.37Å; P244-D279 HydrophobicContact CB-CB 3.75Å; P244-D279 HydrophobicContact CG-CB 3.72Å; P244-I280 HydrophobicContact CB-CG1 4Å |
| 245 | G | 98.7 | Very high | 98 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 7% | 0.072 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.3 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N242 V243 A248 E249 | N242-G245 WeakPolarHBondContact O-CA 3.43Å; N242-G245 PolarHBondContact O-N 2.93Å; N242-G245 PolarHBondContact OD1-N 3.45Å; N242-G245 VanDerWaalsContact OD1-N 3.08Å; V243-G245 VanDerWaalsContact C-N 3.28Å; V243-G245 PolarHBondContact O-N 3.12Å; G245-A248 PolarHBondContact O-N 3.43Å; G245-E249 PolarHBondContact O-N 2.91Å |
| 246 | F | 98.8 | Very high | 97.4 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 7% | 0.066 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.7 | -50.3 | 172.5 | 167.7 | -104.3 | 0 | 0 | 0 | 111.4 | E110 A235 K238 C239 N242 V243 A248 E249 S250 | E110-F246 HydrophobicContact CB-CZ 4.43Å; E110-F246 HydrophobicContact CG-CE1 3.91Å; E110-F246 HydrophobicContact CG-CZ 4.14Å; A235-F246 HydrophobicContact CB-CE2 3.8Å; A235-F246 HydrophobicContact CB-CZ 4.26Å; K238-F246 HydrophobicContact CB-CB 4.1Å; K238-F246 HydrophobicContact CB-CD2 4.03Å; K238-F246 HydrophobicContact CB-CG 4.5Å; K238-F246 HydrophobicContact CD-CD2 4.22Å; C239-F246 VanDerWaalsContact SG-CD1 3.52Å; C239-F246 VanDerWaalsContact SG-CG 3.59Å; N242-F246 PolarHBondContact O-N 3.46Å; V243-F246 WeakPolarHBondContact O-CB 3.45Å; V243-F246 PolarHBondContact O-N 3.06Å; F246-A248 VanDerWaalsContact C-N 3.35Å; F246-A248 PolarHBondContact O-N 3.01Å; F246-E249 PolarHBondContact O-N 3.31Å; F246-S250 PolarHBondContact O-N 2.92Å; F246-S250 PolarHBondContact O-OG 2.85Å |
| 247 | F | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.7 | -33.4 | 178.6 | -75 | -63.1 | 0 | 0 | 0 | 113.3 | E110 S114 V243 P244 E249 S250 L251 I268 R272 I280 | E110-F247 HydrophobicContact CG-CE1 3.8Å; S114-F247 WeakPolarHBondContact OG-CZ 3.28Å; V243-F247 HydrophobicContact CG1-CD2 3.8Å; V243-F247 HydrophobicContact CG1-CE2 3.55Å; V243-F247 WeakPolarHBondContact O-CD2 3.49Å; V243-F247 PolarHBondContact O-N 3.25Å; V243-F247 VanDerWaalsContact O-N 3.13Å; P244-F247 PolarHBondContact O-N 3.14Å; F247-E249 VanDerWaalsContact C-N 3.31Å; F247-E249 PolarHBondContact O-N 3.04Å; F247-S250 PolarHBondContact O-N 3.36Å; F247-L251 WeakPolarHBondContact O-CB 3.32Å; F247-L251 VanDerWaalsContact O-CG 3.3Å; F247-L251 WeakPolarHBondContact O-CG 3.47Å; F247-L251 PolarHBondContact O-N 3.2Å; F247-I268 HydrophobicContact CB-CG2 4.16Å; F247-I268 HydrophobicContact CD1-CB 4.43Å; F247-I268 HydrophobicContact CD1-CD1 4.04Å; F247-I268 HydrophobicContact CD1-CG1 3.85Å; F247-I268 HydrophobicContact CD1-CG2 3.8Å; F247-I268 HydrophobicContact CE1-CG1 4.21Å; F247-I268 HydrophobicContact CG-CG2 4.24Å; F247-R272 HydrophobicContact CD1-CG 4.31Å; F247-R272 HydrophobicContact CD2-CG 4.14Å; F247-R272 HydrophobicContact CE1-CG 4.42Å; F247-R272 HydrophobicContact CE2-CG 4.27Å; F247-R272 VanDerWaalsContact CE2-CZ 3.44Å; F247-R272 HydrophobicContact CG-CG 4.17Å; F247-R272 HydrophobicContact CZ-CG 4.41Å; F247-I280 HydrophobicContact CB-CD1 3.68Å; F247-I280 HydrophobicContact CB-CG1 4Å; F247-I280 HydrophobicContact CB-CG2 4.39Å; F247-I280 HydrophobicContact CD2-CD1 4.28Å; F247-I280 HydrophobicContact CG-CD1 4.21Å |
| 248 | A | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -42.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P244 G245 F246 Y252 I280 N283 F284 M287 | P244-A248 WeakPolarHBondContact O-CB 3.38Å; P244-A248 PolarHBondContact O-N 3.43Å; G245-A248 PolarHBondContact O-N 3.43Å; F246-A248 VanDerWaalsContact C-N 3.35Å; F246-A248 PolarHBondContact O-N 3.01Å; A248-Y252 PolarHBondContact O-N 3.46Å; A248-I280 HydrophobicContact CB-CG2 4.25Å; A248-N283 HydrophobicContact CB-CB 3.93Å; A248-F284 HydrophobicContact CB-CB 3.91Å; A248-F284 HydrophobicContact CB-CD2 4.25Å; A248-F284 VanDerWaalsContact O-CD2 3.27Å; A248-F284 WeakPolarHBondContact O-CD2 3.37Å; A248-M287 HydrophobicContact CB-SD 4.32Å |
| 249 | E | 98.4 | Very high | 94.3 | Very high | 49 Ų | 49 | 46.4 Ų | 46.4 | 23% | 0.229 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -44 | 174.9 | -173.8 | -176.7 | 166.3 | 0 | 0 | 112.6 | K238 G245 F246 F247 L251 Y252 N253 M287 Y288 | K238-E249 WeakPolarHBondContact CD-OE2 3.47Å; K238-E249 WeakPolarHBondContact CE-OE2 3.38Å; K238-E249 IonicContact NZ-OE1 2.8Å; K238-E249 PolarHBondContact NZ-OE1 3.24Å; K238-E249 IonicContact NZ-OE2 3.65Å; K238-E249 PolarHBondContact NZ-OE2 2.91Å; G245-E249 PolarHBondContact O-N 2.91Å; F246-E249 PolarHBondContact O-N 3.31Å; F247-E249 VanDerWaalsContact C-N 3.31Å; F247-E249 PolarHBondContact O-N 3.04Å; E249-L251 PolarHBondContact O-N 2.94Å; E249-Y252 PolarHBondContact O-N 3.43Å; E249-N253 WeakPolarHBondContact O-CB 3.43Å; E249-N253 PolarHBondContact O-N 2.74Å; E249-N253 PolarHBondContact O-ND2 2.87Å; E249-M287 HydrophobicContact CB-CE 4.13Å; E249-Y288 VanDerWaalsContact CA-OH 3.27Å; E249-Y288 WeakPolarHBondContact CA-OH 3.39Å; E249-Y288 WeakPolarHBondContact CG-OH 3.42Å |
| 250 | S | 98.3 | Very high | 94 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 16% | 0.161 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 177.3 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | F246 F247 Y252 N253 S254 | F246-S250 PolarHBondContact O-N 2.92Å; F246-S250 PolarHBondContact O-OG 2.85Å; F247-S250 PolarHBondContact O-N 3.36Å; S250-Y252 VanDerWaalsContact C-N 3.35Å; S250-Y252 PolarHBondContact O-N 2.91Å; S250-N253 PolarHBondContact O-N 2.88Å; S250-S254 PolarHBondContact O-N 2.73Å |
| 251 | L | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 174.6 | -74.4 | 168.6 | 0 | 0 | 0 | 112.6 | F247 E249 S254 M255 L265 I268 M269 I280 F284 L292 | F247-L251 WeakPolarHBondContact O-CB 3.32Å; F247-L251 VanDerWaalsContact O-CG 3.3Å; F247-L251 WeakPolarHBondContact O-CG 3.47Å; F247-L251 PolarHBondContact O-N 3.2Å; E249-L251 PolarHBondContact O-N 2.94Å; L251-S254 PolarHBondContact O-N 3.3Å; L251-S254 PolarHBondContact O-OG 3.28Å; L251-M255 HydrophobicContact CB-CE 4.4Å; L251-M255 WeakPolarHBondContact O-CE 3.45Å; L251-M255 PolarHBondContact O-N 3.25Å; L251-L265 HydrophobicContact CD2-CD1 3.58Å; L251-I268 HydrophobicContact CD1-CG2 3.87Å; L251-I268 HydrophobicContact CD2-CB 3.89Å; L251-I268 HydrophobicContact CD2-CD1 4.14Å; L251-I268 HydrophobicContact CD2-CG2 3.83Å; L251-I268 HydrophobicContact CG-CB 4.29Å; L251-I268 HydrophobicContact CG-CD1 4.07Å; L251-I268 HydrophobicContact CG-CG2 3.78Å; L251-M269 HydrophobicContact CD1-SD 4.37Å; L251-M269 HydrophobicContact CD2-CG 4.32Å; L251-M269 HydrophobicContact CD2-SD 4.12Å; L251-I280 HydrophobicContact CD1-CG2 3.65Å; L251-F284 HydrophobicContact CB-CD2 4.29Å; L251-F284 HydrophobicContact CB-CE2 4.03Å; L251-L292 HydrophobicContact CB-CD1 4.15Å; L251-L292 HydrophobicContact CD1-CD1 3.9Å; L251-L292 HydrophobicContact CD1-CD2 3.75Å; L251-L292 HydrophobicContact CG-CD1 4.49Å |
| 252 | Y | 97.3 | Very high | 93.9 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 23% | 0.231 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 177.6 | 179.3 | -103.7 | 0 | 0 | 0 | 110.8 | A248 E249 S250 S254 M255 R256 F284 Y288 | A248-Y252 PolarHBondContact O-N 3.46Å; E249-Y252 PolarHBondContact O-N 3.43Å; S250-Y252 VanDerWaalsContact C-N 3.35Å; S250-Y252 PolarHBondContact O-N 2.91Å; Y252-S254 VanDerWaalsContact C-N 3.3Å; Y252-S254 PolarHBondContact O-N 3Å; Y252-M255 PolarHBondContact O-N 3.28Å; Y252-R256 HydrophobicContact CE1-CG 4.42Å; Y252-R256 VanDerWaalsContact CZ-CD 3.47Å; Y252-R256 WeakPolarHBondContact O-CB 3.48Å; Y252-R256 PolarHBondContact O-N 2.9Å; Y252-R256 VanDerWaalsContact O-N 3.15Å; Y252-R256 VanDerWaalsContact OH-CD 3.31Å; Y252-R256 WeakPolarHBondContact OH-CD 3.19Å; Y252-F284 HydrophobicContact CD2-CE2 4.39Å; Y252-F284 AromaticContact CD2-CZ 3.99Å; Y252-F284 HydrophobicContact CD2-CZ 3.99Å; Y252-Y288 VanDerWaalsContact CB-CZ 3.49Å; Y252-Y288 AromaticContact CD1-CD1 3.81Å; Y252-Y288 HydrophobicContact CD1-CD1 3.81Å; Y252-Y288 AromaticContact CD1-CE1 3.3Å; Y252-Y288 HydrophobicContact CD1-CE1 3.3Å; Y252-Y288 HydrophobicContact CD1-CE2 4.17Å; Y252-Y288 HydrophobicContact CD1-CG 4.42Å; Y252-Y288 AromaticContact CD1-CZ 3.51Å; Y252-Y288 AromaticContact CD2-CD1 3.66Å; Y252-Y288 HydrophobicContact CD2-CD1 3.66Å; Y252-Y288 AromaticContact CD2-CD2 3.72Å; Y252-Y288 HydrophobicContact CD2-CD2 3.72Å; Y252-Y288 AromaticContact CD2-CE1 3.96Å; Y252-Y288 HydrophobicContact CD2-CE1 3.96Å; Y252-Y288 HydrophobicContact CD2-CE2 4.03Å; Y252-Y288 AromaticContact CD2-CG 3.53Å; Y252-Y288 HydrophobicContact CD2-CG 3.53Å; Y252-Y288 AromaticContact CE1-CD1 3.74Å; Y252-Y288 HydrophobicContact CE1-CD1 3.74Å; Y252-Y288 AromaticContact CE1-CE1 3.52Å; Y252-Y288 HydrophobicContact CE1-CE1 3.52Å; Y252-Y288 AromaticContact CE2-CD1 3.64Å; Y252-Y288 HydrophobicContact CE2-CD1 3.64Å; Y252-Y288 HydrophobicContact CE2-CD2 4.44Å; Y252-Y288 HydrophobicContact CE2-CE1 4.19Å; Y252-Y288 AromaticContact CE2-CG 3.79Å; Y252-Y288 HydrophobicContact CE2-CG 3.79Å; Y252-Y288 AromaticContact CG-CD1 3.75Å; Y252-Y288 HydrophobicContact CG-CD1 3.75Å; Y252-Y288 AromaticContact CG-CD2 3.81Å; Y252-Y288 HydrophobicContact CG-CD2 3.81Å; Y252-Y288 AromaticContact CG-CE1 3.52Å; Y252-Y288 HydrophobicContact CG-CE1 3.52Å; Y252-Y288 AromaticContact CG-CE2 3.6Å; Y252-Y288 HydrophobicContact CG-CE2 3.6Å; Y252-Y288 AromaticContact CG-CG 3.89Å; Y252-Y288 HydrophobicContact CG-CG 3.89Å; Y252-Y288 AromaticContact CG-CZ 3.44Å; Y252-Y288 VanDerWaalsContact CG-CZ 3.44Å; Y252-Y288 AromaticContact CZ-CD1 3.69Å; Y252-Y288 AromaticContact CZ-CE1 3.99Å |
| 253 | N | 96 | Very high | 93.9 | Very high | 63 Ų | 63 | 49.7 Ų | 49.7 | 34% | 0.337 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.7 | -31.7 | 178 | -73 | -30.6 | 0 | 0 | 0 | 112.9 | E249 S250 M255 | E249-N253 WeakPolarHBondContact O-CB 3.43Å; E249-N253 PolarHBondContact O-N 2.74Å; E249-N253 PolarHBondContact O-ND2 2.87Å; S250-N253 PolarHBondContact O-N 2.88Å; N253-M255 VanDerWaalsContact C-N 3.29Å; N253-M255 PolarHBondContact O-N 3.26Å |
| 254 | S | 96.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71 | -21.6 | 177.7 | 74 | 0 | 0 | 0 | 0 | 113.6 | S250 L251 Y252 T260 D261 | S250-S254 PolarHBondContact O-N 2.73Å; L251-S254 PolarHBondContact O-N 3.3Å; L251-S254 PolarHBondContact O-OG 3.28Å; Y252-S254 VanDerWaalsContact C-N 3.3Å; Y252-S254 PolarHBondContact O-N 3Å; S254-T260 WeakPolarHBondContact O-CA 3.39Å; S254-D261 PolarHBondContact O-N 3.49Å |
| 255 | M | 95.7 | Very high | 93.8 | Very high | 11 Ų | 11 | 47.4 Ų | 47.4 | 5% | 0.054 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -113.3 | 0.1 | -176.8 | -64.5 | -178.2 | -71.8 | 0 | 0 | 114.5 | L251 Y252 N253 T260 L265 F284 L292 T295 I296 D299 | L251-M255 HydrophobicContact CB-CE 4.4Å; L251-M255 WeakPolarHBondContact O-CE 3.45Å; L251-M255 PolarHBondContact O-N 3.25Å; Y252-M255 PolarHBondContact O-N 3.28Å; N253-M255 VanDerWaalsContact C-N 3.29Å; N253-M255 PolarHBondContact O-N 3.26Å; M255-T260 HydrophobicContact CG-CG2 4.17Å; M255-L265 HydrophobicContact CG-CD2 4.3Å; M255-L265 HydrophobicContact SD-CD1 4.19Å; M255-L265 HydrophobicContact SD-CD2 4.2Å; M255-F284 HydrophobicContact CE-CE2 4.33Å; M255-F284 HydrophobicContact CE-CZ 4.24Å; M255-L292 HydrophobicContact CE-CD1 3.75Å; M255-T295 HydrophobicContact CB-CG2 4.06Å; M255-T295 HydrophobicContact CE-CG2 3.6Å; M255-T295 HydrophobicContact SD-CG2 3.86Å; M255-I296 HydrophobicContact CE-CG1 4.16Å; M255-I296 HydrophobicContact SD-CB 4.48Å; M255-I296 HydrophobicContact SD-CG1 3.78Å; M255-D299 WeakPolarHBondContact CA-OD2 3.45Å; M255-D299 HydrophobicContact CB-CB 4.25Å; M255-D299 WeakPolarHBondContact CB-OD2 3.46Å; M255-D299 HydrophobicContact CG-CB 4.29Å; M255-D299 WeakPolarHBondContact CG-OD2 3.26Å; M255-D299 HydrophobicContact SD-CB 4.37Å |
| 256 | R | 85.3 | Confident | 93.8 | Very high | 162 Ų | 162 | 47.4 Ų | 47.4 | 61% | 0.611 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -91.2 | -17.4 | -176.3 | -171.7 | 175 | 73.6 | 108.6 | -0.6 | 114.4 | Y252 | Y252-R256 HydrophobicContact CE1-CG 4.42Å; Y252-R256 VanDerWaalsContact CZ-CD 3.47Å; Y252-R256 WeakPolarHBondContact O-CB 3.48Å; Y252-R256 PolarHBondContact O-N 2.9Å; Y252-R256 VanDerWaalsContact O-N 3.15Å; Y252-R256 VanDerWaalsContact OH-CD 3.31Å; Y252-R256 WeakPolarHBondContact OH-CD 3.19Å |
| 257 | R | 70.3 | Confident | 93.8 | Very high | 197 Ų | 197 | 47.1 Ų | 47.1 | 74% | 0.743 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -83.9 | 174.3 | -174.7 | -64.5 | -175.7 | 179.5 | -172.2 | 0.5 | 110.4 | G259 | R257-G259 CarbonylContact C-O 3.44Å; R257-G259 PolarHBondContact O-N 2.92Å; R257-G259 VanDerWaalsContact O-O 3.08Å |
| 258 | A | 75.9 | Confident | 93.8 | Very high | 115 Ų | 115 | 47.1 Ų | 47.1 | 95% | 0.95 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -66.9 | 103.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 259 | G | 83.9 | Confident | 93.8 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 51% | 0.505 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 87.5 | 170.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113 | R257 | R257-G259 CarbonylContact C-O 3.44Å; R257-G259 PolarHBondContact O-N 2.92Å; R257-G259 VanDerWaalsContact O-O 3.08Å |
| 260 | T | 93.8 | Very high | 93.8 | Very high | 33 Ų | 33 | 45.5 Ų | 45.5 | 20% | 0.202 | 24% | 0.243 | C | C | . | . | trans | -103.2 | 135.9 | -174.5 | -43.6 | 0 | 0 | 0 | 0 | 110.6 | S254 M255 D262 L265 D299 | S254-T260 WeakPolarHBondContact O-CA 3.39Å; M255-T260 HydrophobicContact CG-CG2 4.17Å; T260-D262 VanDerWaalsContact C-N 3.28Å; T260-D262 PolarHBondContact O-N 2.89Å; T260-D262 VanDerWaalsContact O-N 3.12Å; T260-L265 HydrophobicContact CG2-CD2 3.75Å; T260-D299 WeakPolarHBondContact CB-OD2 3.3Å; T260-D299 WeakPolarHBondContact CG2-OD2 3.4Å; T260-D299 PolarHBondContact OG1-O 2.94Å; T260-D299 PolarHBondContact OG1-OD2 3.32Å | ||
| 261 | D | 96.4 | Very high | 93.8 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 31% | 0.305 | 24% | 0.241 | S | C | . | . | trans | -79 | 84.4 | 160.1 | 176.1 | 1.4 | 0 | 0 | 0 | 108.8 | S254 D263 T264 L265 | S254-D261 PolarHBondContact O-N 3.49Å; D261-D263 VanDerWaalsContact C-N 3.27Å; D261-D263 PolarHBondContact O-N 2.87Å; D261-D263 PolarHBondContact OD1-N 3.24Å; D261-T264 PolarHBondContact O-N 3.15Å; D261-T264 PolarHBondContact OD1-N 3.36Å; D261-T264 PolarHBondContact OD1-OG1 3.43Å; D261-T264 WeakPolarHBondContact OD2-CB 3.38Å; D261-T264 PolarHBondContact OD2-OG1 3.39Å; D261-L265 WeakPolarHBondContact O-CB 3.38Å; D261-L265 PolarHBondContact O-N 3.49Å | ||
| 262 | D | 96.8 | Very high | 93.8 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 19% | 0.193 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -28.9 | -177.5 | -78 | -58.5 | 0 | 0 | 0 | 113.5 | L74 T260 M266 Y304 | L74-D262 HydrophobicContact CD1-CB 4.15Å; L74-D262 VanDerWaalsContact CD1-CG 3.49Å; L74-D262 VanDerWaalsContact CD1-OD2 3.27Å; L74-D262 WeakPolarHBondContact CD1-OD2 3.5Å; L74-D262 HydrophobicContact CD2-CB 3.77Å; T260-D262 VanDerWaalsContact C-N 3.28Å; T260-D262 PolarHBondContact O-N 2.89Å; T260-D262 VanDerWaalsContact O-N 3.12Å; D262-M266 WeakPolarHBondContact O-CB 3.4Å; D262-M266 PolarHBondContact O-N 3.24Å; D262-Y304 PolarHBondContact O-OH 3.05Å; D262-Y304 WeakPolarHBondContact OD1-CE1 3.42Å; D262-Y304 VanDerWaalsContact OD1-CZ 3.24Å; D262-Y304 PolarHBondContact OD1-OH 2.94Å |
| 263 | D | 96.3 | Very high | 93.9 | Very high | 104 Ų | 104 | 43.1 Ų | 43.1 | 56% | 0.556 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -68.4 | -43.8 | 179 | -76.5 | -23.7 | 0 | 0 | 0 | 110.5 | D261 R267 | D261-D263 VanDerWaalsContact C-N 3.27Å; D261-D263 PolarHBondContact O-N 2.87Å; D261-D263 PolarHBondContact OD1-N 3.24Å; D263-R267 WeakPolarHBondContact O-CB 3.2Å; D263-R267 PolarHBondContact O-N 3.16Å; D263-R267 PolarHBondContact O-NH1 3.45Å |
| 264 | T | 97.8 | Very high | 94 | Very high | 10 Ų | 10 | 42.5 Ų | 42.5 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.2 | -46.9 | 173.9 | -64.9 | 0 | 0 | 0 | 0 | 112 | D261 M266 R267 I268 | D261-T264 PolarHBondContact O-N 3.15Å; D261-T264 PolarHBondContact OD1-N 3.36Å; D261-T264 PolarHBondContact OD1-OG1 3.43Å; D261-T264 WeakPolarHBondContact OD2-CB 3.38Å; D261-T264 PolarHBondContact OD2-OG1 3.39Å; T264-M266 PolarHBondContact O-N 2.95Å; T264-R267 PolarHBondContact O-N 2.95Å; T264-R267 PolarHBondContact OG1-NH2 3.29Å; T264-I268 HydrophobicContact CG2-CD1 3.65Å; T264-I268 HydrophobicContact CG2-CG1 4.4Å; T264-I268 WeakPolarHBondContact O-CG1 3.37Å; T264-I268 PolarHBondContact O-N 2.98Å |
| 265 | L | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.7 | -52.3 | 177.9 | 176.7 | 56.6 | 0 | 0 | 0 | 111 | L251 M255 T260 D261 R267 I268 M269 I296 T300 L308 | L251-L265 HydrophobicContact CD2-CD1 3.58Å; M255-L265 HydrophobicContact CG-CD2 4.3Å; M255-L265 HydrophobicContact SD-CD1 4.19Å; M255-L265 HydrophobicContact SD-CD2 4.2Å; T260-L265 HydrophobicContact CG2-CD2 3.75Å; D261-L265 WeakPolarHBondContact O-CB 3.38Å; D261-L265 PolarHBondContact O-N 3.49Å; L265-R267 PolarHBondContact O-N 2.67Å; L265-I268 PolarHBondContact O-N 3.38Å; L265-M269 HydrophobicContact CD1-CG 3.76Å; L265-M269 HydrophobicContact CD1-SD 4.49Å; L265-M269 HydrophobicContact CG-CG 4.45Å; L265-M269 WeakPolarHBondContact O-CB 3.39Å; L265-M269 WeakPolarHBondContact O-CG 3.21Å; L265-M269 PolarHBondContact O-N 3.33Å; L265-I296 HydrophobicContact CD1-CG1 4.33Å; L265-T300 HydrophobicContact CD2-CG2 3.79Å; L265-L308 HydrophobicContact CD2-CD1 3.64Å; L265-L308 HydrophobicContact CG-CD1 4.01Å; L265-L308 HydrophobicContact CG-CD2 4.44Å |
| 266 | M | 98.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 179.5 | -175.5 | -172.3 | -54.6 | 0 | 0 | 111.9 | L74 N77 L78 D262 T264 I268 M269 V270 Y304 | L74-M266 HydrophobicContact CD2-CE 4.31Å; N77-M266 HydrophobicContact CB-CE 3.6Å; N77-M266 HydrophobicContact CB-SD 3.84Å; L78-M266 HydrophobicContact CB-CE 4.18Å; L78-M266 HydrophobicContact CB-CG 4.2Å; L78-M266 HydrophobicContact CB-SD 4.17Å; L78-M266 HydrophobicContact CD1-CG 3.74Å; D262-M266 WeakPolarHBondContact O-CB 3.4Å; D262-M266 PolarHBondContact O-N 3.24Å; T264-M266 PolarHBondContact O-N 2.95Å; M266-I268 PolarHBondContact O-N 3.49Å; M266-M269 PolarHBondContact O-N 3.36Å; M266-V270 HydrophobicContact CG-CG2 4.36Å; M266-V270 WeakPolarHBondContact O-CB 3.46Å; M266-V270 VanDerWaalsContact O-CG2 3.23Å; M266-V270 WeakPolarHBondContact O-CG2 3.36Å; M266-V270 PolarHBondContact O-N 2.95Å; M266-Y304 HydrophobicContact CE-CE2 3.86Å |
| 267 | R | 98.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 3% | 0.03 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.8 | -47.3 | -179.5 | 176.4 | 174.4 | 65.6 | -107.8 | 3 | 111.6 | L93 E110 D263 T264 L265 T271 | L93-R267 HydrophobicContact CD1-CG 3.69Å; E110-R267 VanDerWaalsContact CD-NE 3.27Å; E110-R267 WeakPolarHBondContact OE1-CD 3.24Å; E110-R267 IonicContact OE1-CZ 3.74Å; E110-R267 IonicContact OE1-NE 3.51Å; E110-R267 PolarHBondContact OE1-NE 2.89Å; E110-R267 IonicContact OE1-NH2 3.36Å; E110-R267 IonicContact OE2-CZ 3.33Å; E110-R267 IonicContact OE2-NE 2.79Å; E110-R267 PolarHBondContact OE2-NE 2.7Å; E110-R267 VanDerWaalsContact OE2-NE 3.13Å; E110-R267 IonicContact OE2-NH2 2.74Å; E110-R267 PolarHBondContact OE2-NH2 2.86Å; D263-R267 WeakPolarHBondContact O-CB 3.2Å; D263-R267 PolarHBondContact O-N 3.16Å; D263-R267 PolarHBondContact O-NH1 3.45Å; T264-R267 PolarHBondContact O-N 2.95Å; T264-R267 PolarHBondContact OG1-NH2 3.29Å; L265-R267 PolarHBondContact O-N 2.67Å; R267-T271 HydrophobicContact CG-CG2 4.49Å; R267-T271 WeakPolarHBondContact O-CB 3.47Å; R267-T271 VanDerWaalsContact O-CG2 3.23Å; R267-T271 WeakPolarHBondContact O-CG2 3.41Å; R267-T271 PolarHBondContact O-N 2.87Å; R267-T271 PolarHBondContact O-OG1 3.44Å |
| 268 | I | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.3 | -47.2 | -179.8 | -62.8 | 170.6 | 0 | 0 | 0 | 110.3 | F247 L251 T264 L265 M266 V270 T271 R272 | F247-I268 HydrophobicContact CB-CG2 4.16Å; F247-I268 HydrophobicContact CD1-CB 4.43Å; F247-I268 HydrophobicContact CD1-CD1 4.04Å; F247-I268 HydrophobicContact CD1-CG1 3.85Å; F247-I268 HydrophobicContact CD1-CG2 3.8Å; F247-I268 HydrophobicContact CE1-CG1 4.21Å; F247-I268 HydrophobicContact CG-CG2 4.24Å; L251-I268 HydrophobicContact CD1-CG2 3.87Å; L251-I268 HydrophobicContact CD2-CB 3.89Å; L251-I268 HydrophobicContact CD2-CD1 4.14Å; L251-I268 HydrophobicContact CD2-CG2 3.83Å; L251-I268 HydrophobicContact CG-CB 4.29Å; L251-I268 HydrophobicContact CG-CD1 4.07Å; L251-I268 HydrophobicContact CG-CG2 3.78Å; T264-I268 HydrophobicContact CG2-CD1 3.65Å; T264-I268 HydrophobicContact CG2-CG1 4.4Å; T264-I268 WeakPolarHBondContact O-CG1 3.37Å; T264-I268 PolarHBondContact O-N 2.98Å; L265-I268 PolarHBondContact O-N 3.38Å; M266-I268 PolarHBondContact O-N 3.49Å; I268-V270 VanDerWaalsContact C-N 3.28Å; I268-V270 PolarHBondContact O-N 3.21Å; I268-T271 PolarHBondContact O-N 3.46Å; I268-R272 HydrophobicContact CG2-CG 3.88Å; I268-R272 VanDerWaalsContact O-CB 3.31Å; I268-R272 WeakPolarHBondContact O-CB 3.37Å; I268-R272 VanDerWaalsContact O-CG 3.31Å; I268-R272 WeakPolarHBondContact O-CG 3.29Å; I268-R272 PolarHBondContact O-N 2.89Å |
| 269 | M | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.9 | -37.8 | -179 | -66.7 | -57.3 | -66.6 | 0 | 0 | 112 | L251 L265 M266 S273 M277 L292 I296 L308 L311 C312 | L251-M269 HydrophobicContact CD1-SD 4.37Å; L251-M269 HydrophobicContact CD2-CG 4.32Å; L251-M269 HydrophobicContact CD2-SD 4.12Å; L265-M269 HydrophobicContact CD1-CG 3.76Å; L265-M269 HydrophobicContact CD1-SD 4.49Å; L265-M269 HydrophobicContact CG-CG 4.45Å; L265-M269 WeakPolarHBondContact O-CB 3.39Å; L265-M269 WeakPolarHBondContact O-CG 3.21Å; L265-M269 PolarHBondContact O-N 3.33Å; M266-M269 PolarHBondContact O-N 3.36Å; M269-S273 WeakPolarHBondContact O-CB 3.36Å; M269-S273 PolarHBondContact O-N 3.35Å; M269-M277 HydrophobicContact CE-CE 3.89Å; M269-M277 HydrophobicContact CE-SD 4.21Å; M269-M277 HydrophobicContact SD-CE 3.55Å; M269-M277 VanDerWaalsContact SD-CE 3.55Å; M269-M277 HydrophobicContact SD-SD 4.07Å; M269-L292 HydrophobicContact SD-CD2 4.28Å; M269-I296 HydrophobicContact CE-CD1 3.79Å; M269-I296 HydrophobicContact SD-CD1 4.07Å; M269-L308 HydrophobicContact CB-CD2 3.89Å; M269-L308 WeakPolarHBondContact CE-O 3.34Å; M269-L308 HydrophobicContact CG-CD2 3.94Å; M269-L311 HydrophobicContact CB-CD1 4.23Å; M269-L311 HydrophobicContact CE-CB 4.05Å; M269-C312 HydrophobicContact CE-CB 3.61Å; M269-C312 VanDerWaalsContact CE-N 3.34Å |
| 270 | V | 98.5 | Very high | 97.9 | Very high | 15 Ų | 15 | 24.6 Ų | 24.6 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.1 | -56 | 174.9 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | L78 A81 L82 Y89 M266 I268 R272 S273 L311 | L78-V270 HydrophobicContact CD1-CG2 3.5Å; L78-V270 VanDerWaalsContact CD1-CG2 3.5Å; A81-V270 HydrophobicContact CB-CG1 4.29Å; A81-V270 HydrophobicContact CB-CG2 3.91Å; L82-V270 HydrophobicContact CD2-CG1 4.32Å; L82-V270 HydrophobicContact CD2-CG2 3.96Å; L82-V270 HydrophobicContact CG-CG2 4.22Å; Y89-V270 HydrophobicContact CD1-CG1 4.11Å; Y89-V270 HydrophobicContact CE1-CB 4.26Å; Y89-V270 HydrophobicContact CE1-CG1 3.91Å; M266-V270 HydrophobicContact CG-CG2 4.36Å; M266-V270 WeakPolarHBondContact O-CB 3.46Å; M266-V270 VanDerWaalsContact O-CG2 3.23Å; M266-V270 WeakPolarHBondContact O-CG2 3.36Å; M266-V270 PolarHBondContact O-N 2.95Å; I268-V270 VanDerWaalsContact C-N 3.28Å; I268-V270 PolarHBondContact O-N 3.21Å; V270-R272 VanDerWaalsContact C-N 3.3Å; V270-R272 PolarHBondContact O-N 3.41Å; V270-S273 PolarHBondContact O-OG 2.97Å; V270-L311 HydrophobicContact CG2-CD1 4.44Å |
| 271 | T | 98.5 | Very high | 98.1 | Very high | 20 Ų | 20 | 24.2 Ų | 24.2 | 12% | 0.123 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.5 | -24.5 | -169.8 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | Y89 R267 I268 V275 | Y89-T271 HydrophobicContact CD1-CG2 3.76Å; Y89-T271 HydrophobicContact CE1-CG2 3.94Å; R267-T271 HydrophobicContact CG-CG2 4.49Å; R267-T271 WeakPolarHBondContact O-CB 3.47Å; R267-T271 VanDerWaalsContact O-CG2 3.23Å; R267-T271 WeakPolarHBondContact O-CG2 3.41Å; R267-T271 PolarHBondContact O-N 2.87Å; R267-T271 PolarHBondContact O-OG1 3.44Å; I268-T271 PolarHBondContact O-N 3.46Å; T271-V275 WeakPolarHBondContact O-CG2 3.3Å |
| 272 | R | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 24.2 Ų | 24.2 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -103.1 | -12.4 | -176.9 | -50 | -47.3 | -62.1 | -169.6 | -9.4 | 114.3 | F247 I268 V270 E274 V275 D276 M277 I280 | F247-R272 HydrophobicContact CD1-CG 4.31Å; F247-R272 HydrophobicContact CD2-CG 4.14Å; F247-R272 HydrophobicContact CE1-CG 4.42Å; F247-R272 HydrophobicContact CE2-CG 4.27Å; F247-R272 VanDerWaalsContact CE2-CZ 3.44Å; F247-R272 HydrophobicContact CG-CG 4.17Å; F247-R272 HydrophobicContact CZ-CG 4.41Å; I268-R272 HydrophobicContact CG2-CG 3.88Å; I268-R272 VanDerWaalsContact O-CB 3.31Å; I268-R272 WeakPolarHBondContact O-CB 3.37Å; I268-R272 VanDerWaalsContact O-CG 3.31Å; I268-R272 WeakPolarHBondContact O-CG 3.29Å; I268-R272 PolarHBondContact O-N 2.89Å; V270-R272 VanDerWaalsContact C-N 3.3Å; V270-R272 PolarHBondContact O-N 3.41Å; R272-E274 PolarHBondContact O-N 3.24Å; R272-E274 VanDerWaalsContact O-N 3.13Å; R272-V275 PolarHBondContact O-N 3.33Å; R272-D276 IonicContact CZ-OD1 2.9Å; R272-D276 IonicContact CZ-OD2 3.13Å; R272-D276 IonicContact NE-OD1 3.89Å; R272-D276 PolarHBondContact NE-OD1 3.33Å; R272-D276 IonicContact NE-OD2 3.36Å; R272-D276 IonicContact NH2-OD1 3.99Å; R272-D276 PolarHBondContact NH2-OD1 3.42Å; R272-D276 VanDerWaalsContact NH2-OD1 3.12Å; R272-D276 IonicContact NH2-OD2 2.73Å; R272-D276 PolarHBondContact NH2-OD2 2.92Å; R272-D276 PolarHBondContact O-N 3Å; R272-M277 HydrophobicContact CB-CE 3.98Å; R272-M277 PolarHBondContact O-N 3.33Å; R272-I280 HydrophobicContact CB-CD1 3.5Å; R272-I280 VanDerWaalsContact CB-CD1 3.5Å; R272-I280 HydrophobicContact CG-CD1 3.7Å |
| 273 | S | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.014 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -33 | -177.9 | 56.3 | 0 | 0 | 0 | 0 | 114.3 | G5 S6 V7 M269 V270 | G5-S273 CarbonylContact C-O 3.57Å; G5-S273 VanDerWaalsContact CA-O 3.3Å; G5-S273 WeakPolarHBondContact CA-O 3.41Å; S6-S273 PolarHBondContact N-O 3.15Å; S6-S273 PolarHBondContact OG-O 3.17Å; S6-S273 VanDerWaalsContact OG-O 3.06Å; V7-S273 PolarHBondContact N-O 2.89Å; M269-S273 WeakPolarHBondContact O-CB 3.36Å; M269-S273 PolarHBondContact O-N 3.35Å; V270-S273 PolarHBondContact O-OG 2.97Å |
| 274 | E | 98.2 | Very high | 98.3 | Very high | 49 Ų | 49 | 18.8 Ų | 18.8 | 23% | 0.229 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 9.9 | -179.4 | -68.3 | -178.4 | -134.3 | 0 | 0 | 113.6 | Y3 V7 S44 N45 R48 R272 | Y3-E274 WeakPolarHBondContact OH-CA 3.24Å; Y3-E274 VanDerWaalsContact OH-CB 3.3Å; Y3-E274 WeakPolarHBondContact OH-CB 3.2Å; Y3-E274 PolarHBondContact OH-O 3.37Å; V7-E274 HydrophobicContact CB-CG 3.87Å; V7-E274 HydrophobicContact CG1-CG 4.07Å; S44-E274 WeakPolarHBondContact CA-OE1 3.35Å; S44-E274 WeakPolarHBondContact CB-OE2 3.39Å; N45-E274 PolarHBondContact N-OE1 2.87Å; N45-E274 PolarHBondContact N-OE2 2.91Å; R48-E274 IonicContact NH2-OE1 3.68Å; R272-E274 PolarHBondContact O-N 3.24Å; R272-E274 VanDerWaalsContact O-N 3.13Å |
| 275 | V | 97.8 | Very high | 98.3 | Very high | 64 Ų | 64 | 22.4 Ų | 22.4 | 39% | 0.388 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | -74.2 | -174.5 | -174.7 | 0 | 0 | 0 | 0 | 110.7 | R4 G5 T271 R272 | R4-V275 CarbonylContact C-O 3.46Å; G5-V275 PolarHBondContact N-O 3.37Å; T271-V275 WeakPolarHBondContact O-CG2 3.3Å; R272-V275 PolarHBondContact O-N 3.33Å |
| 276 | D | 98.1 | Very high | 98.3 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 8% | 0.075 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -146.3 | 20.5 | -167.1 | 60.7 | -11.5 | 0 | 0 | 0 | 113.2 | R4 P244 R272 L278 D279 I280 | R4-D276 CarbonylContact O-C 3.4Å; P244-D276 HydrophobicContact CG-CB 4.37Å; R272-D276 IonicContact CZ-OD1 2.9Å; R272-D276 IonicContact CZ-OD2 3.13Å; R272-D276 IonicContact NE-OD1 3.89Å; R272-D276 PolarHBondContact NE-OD1 3.33Å; R272-D276 IonicContact NE-OD2 3.36Å; R272-D276 IonicContact NH2-OD1 3.99Å; R272-D276 PolarHBondContact NH2-OD1 3.42Å; R272-D276 VanDerWaalsContact NH2-OD1 3.12Å; R272-D276 IonicContact NH2-OD2 2.73Å; R272-D276 PolarHBondContact NH2-OD2 2.92Å; R272-D276 PolarHBondContact O-N 3Å; D276-L278 PolarHBondContact O-N 2.91Å; D276-D279 HydrophobicContact CB-CB 4.45Å; D276-D279 WeakPolarHBondContact O-CA 3.37Å; D276-D279 WeakPolarHBondContact O-CB 3.31Å; D276-D279 PolarHBondContact O-N 3.35Å; D276-I280 PolarHBondContact O-N 3.46Å; D276-I280 WeakPolarHBondContact OD1-CD1 3.46Å |
| 277 | M | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -52.3 | -33 | 179.6 | -173.2 | 56.4 | 70 | 0 | 0 | 113.7 | R4 S6 M269 R272 I280 R281 L292 | R4-M277 PolarHBondContact O-N 3.21Å; S6-M277 WeakPolarHBondContact OG-CB 3.28Å; S6-M277 WeakPolarHBondContact OG-CG 3.49Å; M269-M277 HydrophobicContact CE-CE 3.89Å; M269-M277 HydrophobicContact CE-SD 4.21Å; M269-M277 HydrophobicContact SD-CE 3.55Å; M269-M277 VanDerWaalsContact SD-CE 3.55Å; M269-M277 HydrophobicContact SD-SD 4.07Å; R272-M277 HydrophobicContact CB-CE 3.98Å; R272-M277 PolarHBondContact O-N 3.33Å; M277-I280 PolarHBondContact O-N 2.82Å; M277-I280 HydrophobicContact SD-CB 4.42Å; M277-I280 HydrophobicContact SD-CG2 4.46Å; M277-R281 WeakPolarHBondContact O-CB 3.38Å; M277-R281 VanDerWaalsContact O-CG 3.26Å; M277-R281 WeakPolarHBondContact O-CG 3.32Å; M277-R281 PolarHBondContact O-N 3.08Å; M277-L292 HydrophobicContact SD-CD2 4Å |
| 278 | L | 98 | Very high | 98.1 | Very high | 41 Ų | 41 | 36.8 Ų | 36.8 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.8 | -33.3 | 176.2 | -59.7 | -177.9 | 0 | 0 | 0 | 112.7 | R4 D276 R281 A282 | R4-L278 VanDerWaalsContact O-CB 3.28Å; R4-L278 WeakPolarHBondContact O-CB 3.26Å; R4-L278 VanDerWaalsContact O-CG 3.27Å; R4-L278 WeakPolarHBondContact O-CG 3.33Å; R4-L278 PolarHBondContact O-N 3.17Å; D276-L278 PolarHBondContact O-N 2.91Å; L278-R281 VanDerWaalsContact CD2-NH1 3.33Å; L278-A282 PolarHBondContact O-N 3.09Å |
| 279 | D | 98.3 | Very high | 98 | Very high | 44 Ų | 44 | 40 Ų | 40 | 24% | 0.235 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -76.5 | -36.1 | 174.5 | -65 | -46.8 | 0 | 0 | 0 | 111.7 | R4 P244 D276 R281 A282 N283 | R4-D279 VanDerWaalsContact CB-OD2 3.29Å; R4-D279 WeakPolarHBondContact CB-OD2 3.43Å; R4-D279 VanDerWaalsContact CG-OD2 3.24Å; R4-D279 WeakPolarHBondContact CG-OD2 3.46Å; R4-D279 IonicContact CZ-OD1 3.13Å; R4-D279 VanDerWaalsContact NE-CG 3.34Å; R4-D279 IonicContact NE-OD1 3.19Å; R4-D279 PolarHBondContact NE-OD1 2.65Å; R4-D279 IonicContact NE-OD2 2.75Å; R4-D279 PolarHBondContact NE-OD2 3.27Å; R4-D279 VanDerWaalsContact NE-OD2 3.09Å; R4-D279 IonicContact NH2-OD1 3.94Å; R4-D279 PolarHBondContact NH2-OD1 3.45Å; P244-D279 HydrophobicContact CB-CB 3.75Å; P244-D279 HydrophobicContact CG-CB 3.72Å; D276-D279 HydrophobicContact CB-CB 4.45Å; D276-D279 WeakPolarHBondContact O-CA 3.37Å; D276-D279 WeakPolarHBondContact O-CB 3.31Å; D276-D279 PolarHBondContact O-N 3.35Å; D279-R281 VanDerWaalsContact C-N 3.34Å; D279-A282 PolarHBondContact O-N 3.04Å; D279-N283 PolarHBondContact O-N 2.91Å; D279-N283 PolarHBondContact O-ND2 2.94Å |
| 280 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 173.7 | -67.2 | 170.9 | 0 | 0 | 0 | 109.6 | P244 F247 A248 L251 R272 D276 M277 A282 N283 F284 L292 | P244-I280 HydrophobicContact CB-CG1 4Å; F247-I280 HydrophobicContact CB-CD1 3.68Å; F247-I280 HydrophobicContact CB-CG1 4Å; F247-I280 HydrophobicContact CB-CG2 4.39Å; F247-I280 HydrophobicContact CD2-CD1 4.28Å; F247-I280 HydrophobicContact CG-CD1 4.21Å; A248-I280 HydrophobicContact CB-CG2 4.25Å; L251-I280 HydrophobicContact CD1-CG2 3.65Å; R272-I280 HydrophobicContact CB-CD1 3.5Å; R272-I280 VanDerWaalsContact CB-CD1 3.5Å; R272-I280 HydrophobicContact CG-CD1 3.7Å; D276-I280 PolarHBondContact O-N 3.46Å; D276-I280 WeakPolarHBondContact OD1-CD1 3.46Å; M277-I280 PolarHBondContact O-N 2.82Å; M277-I280 HydrophobicContact SD-CB 4.42Å; M277-I280 HydrophobicContact SD-CG2 4.46Å; I280-A282 PolarHBondContact O-N 3.33Å; I280-N283 PolarHBondContact O-N 3.29Å; I280-F284 VanDerWaalsContact O-CB 3.32Å; I280-F284 WeakPolarHBondContact O-CB 3.36Å; I280-F284 PolarHBondContact O-N 3.34Å; I280-L292 HydrophobicContact CG2-CD2 4.46Å |
| 281 | R | 98.4 | Very high | 97.7 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.1 | -46.8 | 176.1 | -75.4 | 169.6 | 59.5 | -156 | -10.4 | 112.7 | M277 L278 D279 N283 F284 K285 L292 C312 G314 D316 | M277-R281 WeakPolarHBondContact O-CB 3.38Å; M277-R281 VanDerWaalsContact O-CG 3.26Å; M277-R281 WeakPolarHBondContact O-CG 3.32Å; M277-R281 PolarHBondContact O-N 3.08Å; L278-R281 VanDerWaalsContact CD2-NH1 3.33Å; D279-R281 VanDerWaalsContact C-N 3.34Å; R281-N283 VanDerWaalsContact C-N 3.35Å; R281-N283 PolarHBondContact O-N 3.43Å; R281-F284 PolarHBondContact O-N 3.1Å; R281-K285 WeakPolarHBondContact O-CB 3.32Å; R281-K285 PolarHBondContact O-N 3.47Å; R281-L292 HydrophobicContact CG-CB 4.19Å; R281-L292 HydrophobicContact CG-CD2 3.9Å; R281-C312 WeakPolarHBondContact CD-O 3.21Å; R281-C312 PolarHBondContact NH1-O 3.33Å; R281-G314 PolarHBondContact NH2-O 2.93Å; R281-D316 IonicContact CZ-OD1 3.06Å; R281-D316 VanDerWaalsContact CZ-OD1 3.23Å; R281-D316 IonicContact NE-OD1 3.35Å; R281-D316 PolarHBondContact NE-OD1 3.39Å; R281-D316 IonicContact NH2-OD1 3.48Å; R281-D316 PolarHBondContact NH2-OD1 3.38Å |
| 282 | A | 97.9 | Very high | 97.6 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 46% | 0.463 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.8 | -42.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L278 D279 I280 K286 | L278-A282 PolarHBondContact O-N 3.09Å; D279-A282 PolarHBondContact O-N 3.04Å; I280-A282 PolarHBondContact O-N 3.33Å; A282-K286 VanDerWaalsContact O-CB 3.31Å; A282-K286 WeakPolarHBondContact O-CB 3.17Å; A282-K286 PolarHBondContact O-N 3.05Å |
| 283 | N | 98.4 | Very high | 97.6 | Very high | 26 Ų | 26 | 44 Ų | 44 | 14% | 0.139 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.7 | -44.4 | 175.5 | -80.6 | -80.8 | 0 | 0 | 0 | 111.9 | N242 A248 D279 I280 R281 K285 K286 M287 | N242-N283 PolarHBondContact ND2-OD1 2.97Å; A248-N283 HydrophobicContact CB-CB 3.93Å; D279-N283 PolarHBondContact O-N 2.91Å; D279-N283 PolarHBondContact O-ND2 2.94Å; I280-N283 PolarHBondContact O-N 3.29Å; R281-N283 VanDerWaalsContact C-N 3.35Å; R281-N283 PolarHBondContact O-N 3.43Å; N283-K285 PolarHBondContact O-N 2.81Å; N283-K286 PolarHBondContact O-N 3.48Å; N283-K286 VanDerWaalsContact O-N 3.17Å; N283-M287 HydrophobicContact CB-SD 4.39Å; N283-M287 WeakPolarHBondContact O-CB 3.48Å; N283-M287 WeakPolarHBondContact O-CG 3.33Å; N283-M287 PolarHBondContact O-N 2.98Å |
| 284 | F | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.2 | -50.2 | 177.7 | -167.1 | -79.5 | 0 | 0 | 0 | 111.1 | A248 L251 Y252 M255 I280 R281 K286 M287 Y288 Q290 L292 T295 | A248-F284 HydrophobicContact CB-CB 3.91Å; A248-F284 HydrophobicContact CB-CD2 4.25Å; A248-F284 VanDerWaalsContact O-CD2 3.27Å; A248-F284 WeakPolarHBondContact O-CD2 3.37Å; L251-F284 HydrophobicContact CB-CD2 4.29Å; L251-F284 HydrophobicContact CB-CE2 4.03Å; Y252-F284 HydrophobicContact CD2-CE2 4.39Å; Y252-F284 AromaticContact CD2-CZ 3.99Å; Y252-F284 HydrophobicContact CD2-CZ 3.99Å; M255-F284 HydrophobicContact CE-CE2 4.33Å; M255-F284 HydrophobicContact CE-CZ 4.24Å; I280-F284 VanDerWaalsContact O-CB 3.32Å; I280-F284 WeakPolarHBondContact O-CB 3.36Å; I280-F284 PolarHBondContact O-N 3.34Å; R281-F284 PolarHBondContact O-N 3.1Å; F284-K286 PolarHBondContact O-N 3.42Å; F284-M287 PolarHBondContact O-N 3.07Å; F284-Y288 HydrophobicContact CD1-CD2 4.11Å; F284-Y288 HydrophobicContact CD2-CD2 4.04Å; F284-Y288 HydrophobicContact CD2-CE2 4.24Å; F284-Y288 HydrophobicContact CE1-CD2 4.24Å; F284-Y288 HydrophobicContact CE2-CD2 4.17Å; F284-Y288 HydrophobicContact CE2-CE2 4.42Å; F284-Y288 HydrophobicContact CG-CD2 4.01Å; F284-Y288 HydrophobicContact CZ-CD2 4.26Å; F284-Y288 VanDerWaalsContact O-CD2 3.31Å; F284-Y288 WeakPolarHBondContact O-CD2 3.33Å; F284-Y288 PolarHBondContact O-N 2.63Å; F284-Q290 WeakPolarHBondContact CD1-O 3.2Å; F284-Q290 HydrophobicContact CE1-CG 4.02Å; F284-L292 HydrophobicContact CB-CB 4.35Å; F284-L292 HydrophobicContact CD1-CB 3.97Å; F284-L292 HydrophobicContact CD2-CB 4.41Å; F284-L292 HydrophobicContact CD2-CD1 3.92Å; F284-L292 HydrophobicContact CE1-CB 4.35Å; F284-L292 HydrophobicContact CE1-CD1 4.49Å; F284-L292 HydrophobicContact CE2-CD1 3.75Å; F284-L292 HydrophobicContact CG-CB 4Å; F284-L292 HydrophobicContact CG-CD1 4.36Å; F284-L292 HydrophobicContact CZ-CD1 4.07Å; F284-T295 HydrophobicContact CZ-CG2 4.22Å |
| 285 | K | 97.6 | Very high | 97.4 | Very high | 86 Ų | 86 | 44.1 Ų | 44.1 | 37% | 0.374 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 177.1 | -175.5 | 168.4 | -179.9 | 162.2 | 0 | 112.5 | R281 N283 G289 Q290 D316 | R281-K285 WeakPolarHBondContact O-CB 3.32Å; R281-K285 PolarHBondContact O-N 3.47Å; N283-K285 PolarHBondContact O-N 2.81Å; K285-G289 WeakPolarHBondContact O-CA 3.43Å; K285-G289 PolarHBondContact O-N 3.49Å; K285-Q290 WeakPolarHBondContact CA-O 3.46Å; K285-D316 PolarHBondContact NZ-O 2.8Å; K285-D316 PolarHBondContact NZ-OXT 3.07Å |
| 286 | K | 97.9 | Very high | 97.4 | Very high | 178 Ų | 178 | 41.1 Ų | 41.1 | 77% | 0.774 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.4 | -40.2 | 176.8 | 179.6 | -177.8 | 174.6 | -173.3 | 0 | 112.3 | A282 N283 F284 | A282-K286 VanDerWaalsContact O-CB 3.31Å; A282-K286 WeakPolarHBondContact O-CB 3.17Å; A282-K286 PolarHBondContact O-N 3.05Å; N283-K286 PolarHBondContact O-N 3.48Å; N283-K286 VanDerWaalsContact O-N 3.17Å; F284-K286 PolarHBondContact O-N 3.42Å |
| 287 | M | 97.4 | Very high | 97.3 | Very high | 84 Ų | 84 | 44.2 Ų | 44.2 | 41% | 0.414 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -80.4 | -37 | -174.3 | -69.6 | 169.3 | 68.6 | 0 | 0 | 112.6 | A248 E249 N283 F284 | A248-M287 HydrophobicContact CB-SD 4.32Å; E249-M287 HydrophobicContact CB-CE 4.13Å; N283-M287 HydrophobicContact CB-SD 4.39Å; N283-M287 WeakPolarHBondContact O-CB 3.48Å; N283-M287 WeakPolarHBondContact O-CG 3.33Å; N283-M287 PolarHBondContact O-N 2.98Å; F284-M287 PolarHBondContact O-N 3.07Å |
| 288 | Y | 96.1 | Very high | 97.1 | Very high | 56 Ų | 56 | 51.1 Ų | 51.1 | 22% | 0.22 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -117 | -5.8 | -169 | -55.1 | -61.6 | 0 | 0 | 0 | 114.5 | E249 Y252 F284 Q290 | E249-Y288 VanDerWaalsContact CA-OH 3.27Å; E249-Y288 WeakPolarHBondContact CA-OH 3.39Å; E249-Y288 WeakPolarHBondContact CG-OH 3.42Å; Y252-Y288 VanDerWaalsContact CB-CZ 3.49Å; Y252-Y288 AromaticContact CD1-CD1 3.81Å; Y252-Y288 HydrophobicContact CD1-CD1 3.81Å; Y252-Y288 AromaticContact CD1-CE1 3.3Å; Y252-Y288 HydrophobicContact CD1-CE1 3.3Å; Y252-Y288 HydrophobicContact CD1-CE2 4.17Å; Y252-Y288 HydrophobicContact CD1-CG 4.42Å; Y252-Y288 AromaticContact CD1-CZ 3.51Å; Y252-Y288 AromaticContact CD2-CD1 3.66Å; Y252-Y288 HydrophobicContact CD2-CD1 3.66Å; Y252-Y288 AromaticContact CD2-CD2 3.72Å; Y252-Y288 HydrophobicContact CD2-CD2 3.72Å; Y252-Y288 AromaticContact CD2-CE1 3.96Å; Y252-Y288 HydrophobicContact CD2-CE1 3.96Å; Y252-Y288 HydrophobicContact CD2-CE2 4.03Å; Y252-Y288 AromaticContact CD2-CG 3.53Å; Y252-Y288 HydrophobicContact CD2-CG 3.53Å; Y252-Y288 AromaticContact CE1-CD1 3.74Å; Y252-Y288 HydrophobicContact CE1-CD1 3.74Å; Y252-Y288 AromaticContact CE1-CE1 3.52Å; Y252-Y288 HydrophobicContact CE1-CE1 3.52Å; Y252-Y288 AromaticContact CE2-CD1 3.64Å; Y252-Y288 HydrophobicContact CE2-CD1 3.64Å; Y252-Y288 HydrophobicContact CE2-CD2 4.44Å; Y252-Y288 HydrophobicContact CE2-CE1 4.19Å; Y252-Y288 AromaticContact CE2-CG 3.79Å; Y252-Y288 HydrophobicContact CE2-CG 3.79Å; Y252-Y288 AromaticContact CG-CD1 3.75Å; Y252-Y288 HydrophobicContact CG-CD1 3.75Å; Y252-Y288 AromaticContact CG-CD2 3.81Å; Y252-Y288 HydrophobicContact CG-CD2 3.81Å; Y252-Y288 AromaticContact CG-CE1 3.52Å; Y252-Y288 HydrophobicContact CG-CE1 3.52Å; Y252-Y288 AromaticContact CG-CE2 3.6Å; Y252-Y288 HydrophobicContact CG-CE2 3.6Å; Y252-Y288 AromaticContact CG-CG 3.89Å; Y252-Y288 HydrophobicContact CG-CG 3.89Å; Y252-Y288 AromaticContact CG-CZ 3.44Å; Y252-Y288 VanDerWaalsContact CG-CZ 3.44Å; Y252-Y288 AromaticContact CZ-CD1 3.69Å; Y252-Y288 AromaticContact CZ-CE1 3.99Å; F284-Y288 HydrophobicContact CD1-CD2 4.11Å; F284-Y288 HydrophobicContact CD2-CD2 4.04Å; F284-Y288 HydrophobicContact CD2-CE2 4.24Å; F284-Y288 HydrophobicContact CE1-CD2 4.24Å; F284-Y288 HydrophobicContact CE2-CD2 4.17Å; F284-Y288 HydrophobicContact CE2-CE2 4.42Å; F284-Y288 HydrophobicContact CG-CD2 4.01Å; F284-Y288 HydrophobicContact CZ-CD2 4.26Å; F284-Y288 VanDerWaalsContact O-CD2 3.31Å; F284-Y288 WeakPolarHBondContact O-CD2 3.33Å; F284-Y288 PolarHBondContact O-N 2.63Å; Y288-Q290 PolarHBondContact O-N 3.27Å; Y288-Q290 VanDerWaalsContact O-N 3.13Å |
| 289 | G | 95.7 | Very high | 97 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 71% | 0.711 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 70.7 | 3.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K285 | K285-G289 WeakPolarHBondContact O-CA 3.43Å; K285-G289 PolarHBondContact O-N 3.49Å |
| 290 | Q | 93.6 | Very high | 96.9 | Very high | 73 Ų | 73 | 50.2 Ų | 50.2 | 34% | 0.341 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -126.5 | 151.5 | 178.8 | 66.3 | -170.8 | 35.6 | 0 | 0 | 110.3 | F284 K285 Y288 T295 | F284-Q290 WeakPolarHBondContact CD1-O 3.2Å; F284-Q290 HydrophobicContact CE1-CG 4.02Å; K285-Q290 WeakPolarHBondContact CA-O 3.46Å; Y288-Q290 PolarHBondContact O-N 3.27Å; Y288-Q290 VanDerWaalsContact O-N 3.13Å; Q290-T295 PolarHBondContact NE2-OG1 3.39Å |
| 291 | S | 97 | Very high | 96.8 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 8% | 0.077 | 29% | 0.292 | C | S | . | . | trans | -76.4 | 143.6 | 179.1 | 82.2 | 0 | 0 | 0 | 0 | 110.9 | Y293 T294 T295 | S291-Y293 PolarHBondContact O-N 3.04Å; S291-T294 PolarHBondContact O-N 3.45Å; S291-T294 WeakPolarHBondContact OG-CB 3.31Å; S291-T294 PolarHBondContact OG-N 3.03Å; S291-T294 PolarHBondContact OG-OG1 2.94Å; S291-T295 PolarHBondContact O-N 3.23Å; S291-T295 VanDerWaalsContact O-N 3.09Å; S291-T295 PolarHBondContact O-OG1 3.36Å; S291-T295 VanDerWaalsContact O-OG1 3.11Å | ||
| 292 | L | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.2 | -39.8 | 173.7 | 175.4 | 61.9 | 0 | 0 | 0 | 111 | L251 M255 M269 M277 I280 R281 F284 T294 T295 I296 | L251-L292 HydrophobicContact CB-CD1 4.15Å; L251-L292 HydrophobicContact CD1-CD1 3.9Å; L251-L292 HydrophobicContact CD1-CD2 3.75Å; L251-L292 HydrophobicContact CG-CD1 4.49Å; M255-L292 HydrophobicContact CE-CD1 3.75Å; M269-L292 HydrophobicContact SD-CD2 4.28Å; M277-L292 HydrophobicContact SD-CD2 4Å; I280-L292 HydrophobicContact CG2-CD2 4.46Å; R281-L292 HydrophobicContact CG-CB 4.19Å; R281-L292 HydrophobicContact CG-CD2 3.9Å; F284-L292 HydrophobicContact CB-CB 4.35Å; F284-L292 HydrophobicContact CD1-CB 3.97Å; F284-L292 HydrophobicContact CD2-CB 4.41Å; F284-L292 HydrophobicContact CD2-CD1 3.92Å; F284-L292 HydrophobicContact CE1-CB 4.35Å; F284-L292 HydrophobicContact CE1-CD1 4.49Å; F284-L292 HydrophobicContact CE2-CD1 3.75Å; F284-L292 HydrophobicContact CG-CB 4Å; F284-L292 HydrophobicContact CG-CD1 4.36Å; F284-L292 HydrophobicContact CZ-CD1 4.07Å; L292-T294 PolarHBondContact O-N 3.26Å; L292-T295 PolarHBondContact O-N 3.31Å; L292-I296 HydrophobicContact CD1-CD1 3.99Å; L292-I296 HydrophobicContact CD1-CG1 4.2Å; L292-I296 HydrophobicContact CG-CD1 3.89Å; L292-I296 WeakPolarHBondContact O-CG1 3.45Å; L292-I296 PolarHBondContact O-N 3.32Å |
| 293 | Y | 98.1 | Very high | 96.6 | Very high | 46 Ų | 46 | 54 Ų | 54 | 18% | 0.18 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -49.9 | 177.6 | -172.8 | -73.6 | 0 | 0 | 0 | 111.8 | S291 T295 I296 Q297 L309 C312 G313 K315 | S291-Y293 PolarHBondContact O-N 3.04Å; Y293-T295 VanDerWaalsContact C-N 3.34Å; Y293-I296 PolarHBondContact O-N 2.91Å; Y293-Q297 WeakPolarHBondContact O-CB 3.5Å; Y293-Q297 PolarHBondContact O-N 2.95Å; Y293-L309 HydrophobicContact CD1-CD2 3.84Å; Y293-L309 HydrophobicContact CD2-CB 4.4Å; Y293-L309 HydrophobicContact CD2-CD2 3.84Å; Y293-L309 HydrophobicContact CE1-CD1 4.05Å; Y293-L309 HydrophobicContact CE1-CD2 3.78Å; Y293-L309 HydrophobicContact CE1-CG 4.39Å; Y293-L309 HydrophobicContact CE2-CB 3.74Å; Y293-L309 HydrophobicContact CE2-CD1 4.47Å; Y293-L309 HydrophobicContact CE2-CD2 3.81Å; Y293-L309 HydrophobicContact CE2-CG 4.19Å; Y293-L309 HydrophobicContact CG-CD2 3.86Å; Y293-L309 VanDerWaalsContact O-CD2 3.3Å; Y293-L309 WeakPolarHBondContact O-CD2 3.4Å; Y293-C312 HydrophobicContact CD2-CB 4.49Å; Y293-G313 WeakPolarHBondContact CD2-O 3.32Å; Y293-G313 VanDerWaalsContact CE2-O 3.23Å; Y293-G313 WeakPolarHBondContact CE2-O 3.24Å; Y293-K315 HydrophobicContact CD1-CD 4.24Å; Y293-K315 HydrophobicContact CD1-CG 3.55Å; Y293-K315 HydrophobicContact CD2-CG 4.4Å; Y293-K315 HydrophobicContact CE1-CD 4.31Å; Y293-K315 HydrophobicContact CE1-CG 3.87Å; Y293-K315 HydrophobicContact CG-CG 3.87Å |
| 294 | T | 95.9 | Very high | 96.6 | Very high | 42 Ų | 42 | 53.3 Ų | 53.3 | 26% | 0.258 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | -179.8 | -60.8 | 0 | 0 | 0 | 0 | 110.8 | S291 L292 I296 Q297 E298 | S291-T294 PolarHBondContact O-N 3.45Å; S291-T294 WeakPolarHBondContact OG-CB 3.31Å; S291-T294 PolarHBondContact OG-N 3.03Å; S291-T294 PolarHBondContact OG-OG1 2.94Å; L292-T294 PolarHBondContact O-N 3.26Å; T294-I296 PolarHBondContact O-N 2.86Å; T294-Q297 WeakPolarHBondContact O-CB 3.29Å; T294-Q297 PolarHBondContact O-N 3.46Å; T294-Q297 VanDerWaalsContact O-N 3.13Å; T294-E298 HydrophobicContact CG2-CG 4.36Å; T294-E298 WeakPolarHBondContact CG2-OE1 3.35Å; T294-E298 WeakPolarHBondContact O-CG 3.36Å; T294-E298 PolarHBondContact O-N 3.27Å |
| 295 | T | 96.1 | Very high | 96.5 | Very high | 11 Ų | 11 | 55 Ų | 55 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 178 | -51.9 | 0 | 0 | 0 | 0 | 111.8 | M255 F284 Q290 S291 L292 Y293 Q297 E298 D299 | M255-T295 HydrophobicContact CB-CG2 4.06Å; M255-T295 HydrophobicContact CE-CG2 3.6Å; M255-T295 HydrophobicContact SD-CG2 3.86Å; F284-T295 HydrophobicContact CZ-CG2 4.22Å; Q290-T295 PolarHBondContact NE2-OG1 3.39Å; S291-T295 PolarHBondContact O-N 3.23Å; S291-T295 VanDerWaalsContact O-N 3.09Å; S291-T295 PolarHBondContact O-OG1 3.36Å; S291-T295 VanDerWaalsContact O-OG1 3.11Å; L292-T295 PolarHBondContact O-N 3.31Å; Y293-T295 VanDerWaalsContact C-N 3.34Å; T295-Q297 VanDerWaalsContact C-N 3.3Å; T295-Q297 PolarHBondContact O-N 3.43Å; T295-E298 PolarHBondContact O-N 2.87Å; T295-D299 WeakPolarHBondContact O-CB 3.38Å; T295-D299 PolarHBondContact O-N 2.96Å; T295-D299 VanDerWaalsContact O-N 3.07Å |
| 296 | I | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.1 | -41.2 | 173.9 | -67 | 167.3 | 0 | 0 | 0 | 110.9 | M255 L265 M269 L292 Y293 T294 E298 D299 T300 L308 L309 C312 | M255-I296 HydrophobicContact CE-CG1 4.16Å; M255-I296 HydrophobicContact SD-CB 4.48Å; M255-I296 HydrophobicContact SD-CG1 3.78Å; L265-I296 HydrophobicContact CD1-CG1 4.33Å; M269-I296 HydrophobicContact CE-CD1 3.79Å; M269-I296 HydrophobicContact SD-CD1 4.07Å; L292-I296 HydrophobicContact CD1-CD1 3.99Å; L292-I296 HydrophobicContact CD1-CG1 4.2Å; L292-I296 HydrophobicContact CG-CD1 3.89Å; L292-I296 WeakPolarHBondContact O-CG1 3.45Å; L292-I296 PolarHBondContact O-N 3.32Å; Y293-I296 PolarHBondContact O-N 2.91Å; T294-I296 PolarHBondContact O-N 2.86Å; I296-E298 VanDerWaalsContact C-N 3.26Å; I296-E298 PolarHBondContact O-N 3.29Å; I296-D299 PolarHBondContact O-N 3.15Å; I296-T300 PolarHBondContact O-N 3.08Å; I296-T300 VanDerWaalsContact O-N 3.11Å; I296-T300 PolarHBondContact O-OG1 2.93Å; I296-L308 HydrophobicContact CG2-CB 3.74Å; I296-L308 HydrophobicContact CG2-CD1 4.05Å; I296-L309 HydrophobicContact CB-CD2 3.84Å; I296-L309 HydrophobicContact CG2-CD2 3.62Å; I296-L309 HydrophobicContact CG2-CG 4.11Å; I296-C312 HydrophobicContact CD1-CB 4.19Å |
| 297 | Q | 96.3 | Very high | 96.4 | Very high | 80 Ų | 80 | 46.3 Ų | 46.3 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.8 | -29.9 | 179.6 | 178 | 166.2 | 53.4 | 0 | 0 | 113 | Y293 T294 T295 Q305 L309 | Y293-Q297 WeakPolarHBondContact O-CB 3.5Å; Y293-Q297 PolarHBondContact O-N 2.95Å; T294-Q297 WeakPolarHBondContact O-CB 3.29Å; T294-Q297 PolarHBondContact O-N 3.46Å; T294-Q297 VanDerWaalsContact O-N 3.13Å; T295-Q297 VanDerWaalsContact C-N 3.3Å; T295-Q297 PolarHBondContact O-N 3.43Å; Q297-Q305 VanDerWaalsContact C-NE2 3.31Å; Q297-Q305 VanDerWaalsContact CA-NE2 3.35Å; Q297-Q305 PolarHBondContact O-NE2 3.35Å; Q297-L309 HydrophobicContact CB-CD1 4.34Å; Q297-L309 HydrophobicContact CB-CD2 4.3Å |
| 298 | E | 94.6 | Very high | 96.5 | Very high | 145 Ų | 145 | 42.3 Ų | 42.3 | 68% | 0.678 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -86.1 | -30.3 | 179.6 | -71.5 | 171.9 | 173 | 0 | 0 | 112.5 | T294 T295 I296 | T294-E298 HydrophobicContact CG2-CG 4.36Å; T294-E298 WeakPolarHBondContact CG2-OE1 3.35Å; T294-E298 WeakPolarHBondContact O-CG 3.36Å; T294-E298 PolarHBondContact O-N 3.27Å; T295-E298 PolarHBondContact O-N 2.87Å; I296-E298 VanDerWaalsContact C-N 3.26Å; I296-E298 PolarHBondContact O-N 3.29Å |
| 299 | D | 95.6 | Very high | 96.5 | Very high | 50 Ų | 50 | 40.2 Ų | 40.2 | 27% | 0.267 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -97.7 | -20.4 | -169.8 | -152.1 | 55 | 0 | 0 | 0 | 114.2 | M255 T260 T295 I296 | M255-D299 WeakPolarHBondContact CA-OD2 3.45Å; M255-D299 HydrophobicContact CB-CB 4.25Å; M255-D299 WeakPolarHBondContact CB-OD2 3.46Å; M255-D299 HydrophobicContact CG-CB 4.29Å; M255-D299 WeakPolarHBondContact CG-OD2 3.26Å; M255-D299 HydrophobicContact SD-CB 4.37Å; T260-D299 WeakPolarHBondContact CB-OD2 3.3Å; T260-D299 WeakPolarHBondContact CG2-OD2 3.4Å; T260-D299 PolarHBondContact OG1-O 2.94Å; T260-D299 PolarHBondContact OG1-OD2 3.32Å; T295-D299 WeakPolarHBondContact O-CB 3.38Å; T295-D299 PolarHBondContact O-N 2.96Å; T295-D299 VanDerWaalsContact O-N 3.07Å; I296-D299 PolarHBondContact O-N 3.15Å |
| 300 | T | 96.3 | Very high | 96.5 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 9% | 0.092 | 22% | 0.224 | C | C | . | . | trans | -116 | 174.6 | -177.2 | 65.2 | 0 | 0 | 0 | 0 | 112.2 | L265 I296 Y304 Q305 L308 | L265-T300 HydrophobicContact CD2-CG2 3.79Å; I296-T300 PolarHBondContact O-N 3.08Å; I296-T300 VanDerWaalsContact O-N 3.11Å; I296-T300 PolarHBondContact O-OG1 2.93Å; T300-Y304 HydrophobicContact CG2-CD1 4.39Å; T300-Y304 HydrophobicContact CG2-CE1 3.93Å; T300-Q305 PolarHBondContact O-NE2 2.85Å; T300-Q305 WeakPolarHBondContact OG1-CA 3.23Å; T300-Q305 WeakPolarHBondContact OG1-CB 3.45Å; T300-Q305 VanDerWaalsContact OG1-CG 3.3Å; T300-Q305 WeakPolarHBondContact OG1-CG 3.23Å; T300-L308 HydrophobicContact CG2-CD1 3.93Å | ||
| 301 | A | 96.1 | Very high | 96.7 | Very high | 74 Ų | 74 | 38.6 Ų | 38.6 | 61% | 0.612 | 21% | 0.208 | S | C | * | . | trans | -148.7 | 169.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q305 | A301-Q305 PolarHBondContact O-N 3.42Š| ||
| 302 | G | 96.7 | Very high | 96.7 | Very high | 47 Ų | 47 | 38.1 Ų | 38.1 | 49% | 0.485 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | 66.3 | -155.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y304 Q305 K306 | G302-Y304 VanDerWaalsContact C-N 3.25Å; G302-Y304 PolarHBondContact O-N 3.27Å; G302-Q305 WeakPolarHBondContact O-CB 3.32Å; G302-Q305 PolarHBondContact O-N 3.39Å; G302-K306 PolarHBondContact O-N 2.96Å; G302-K306 VanDerWaalsContact O-N 3.15Å |
| 303 | D | 96.3 | Very high | 96.4 | Very high | 41 Ų | 41 | 39.3 Ų | 39.3 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.5 | -25.9 | -177 | -56.7 | -45.2 | 0 | 0 | 0 | 112.8 | E33 L37 F75 K306 A307 | E33-D303 HydrophobicContact CB-CB 4.49Å; L37-D303 WeakPolarHBondContact CD1-O 3.47Å; F75-D303 HydrophobicContact CD1-CB 4.02Å; F75-D303 HydrophobicContact CD2-CB 3.92Å; F75-D303 HydrophobicContact CE1-CB 4.17Å; F75-D303 HydrophobicContact CE2-CB 4.09Å; F75-D303 HydrophobicContact CG-CB 3.9Å; F75-D303 HydrophobicContact CZ-CB 4.22Å; D303-K306 PolarHBondContact O-N 3.44Å; D303-K306 IonicContact OD1-NZ 2.81Å; D303-K306 PolarHBondContact OD1-NZ 3.29Å; D303-A307 WeakPolarHBondContact O-CB 3.31Å; D303-A307 PolarHBondContact O-N 2.9Å |
| 304 | Y | 97.4 | Very high | 95.6 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.3 | -49.8 | 169.4 | 174.6 | -114.1 | 0 | 0 | 0 | 111.5 | L74 L78 D262 M266 T300 G302 K306 A307 L308 | L74-Y304 HydrophobicContact CB-CD1 4.1Å; L74-Y304 HydrophobicContact CB-CD2 3.77Å; L74-Y304 HydrophobicContact CB-CE1 4.38Å; L74-Y304 HydrophobicContact CB-CE2 4.09Å; L74-Y304 HydrophobicContact CB-CG 3.75Å; L74-Y304 HydrophobicContact CD1-CD1 4.01Å; L74-Y304 HydrophobicContact CD1-CE1 3.96Å; L78-Y304 HydrophobicContact CB-CD2 4.13Å; L78-Y304 HydrophobicContact CB-CE2 4.23Å; L78-Y304 HydrophobicContact CD2-CD2 3.81Å; L78-Y304 HydrophobicContact CD2-CE2 4.05Å; D262-Y304 PolarHBondContact O-OH 3.05Å; D262-Y304 WeakPolarHBondContact OD1-CE1 3.42Å; D262-Y304 VanDerWaalsContact OD1-CZ 3.24Å; D262-Y304 PolarHBondContact OD1-OH 2.94Å; M266-Y304 HydrophobicContact CE-CE2 3.86Å; T300-Y304 HydrophobicContact CG2-CD1 4.39Å; T300-Y304 HydrophobicContact CG2-CE1 3.93Å; G302-Y304 VanDerWaalsContact C-N 3.25Å; G302-Y304 PolarHBondContact O-N 3.27Å; Y304-K306 PolarHBondContact O-N 3.42Å; Y304-A307 PolarHBondContact O-N 3.41Å; Y304-L308 HydrophobicContact CD1-CD1 4.05Å; Y304-L308 HydrophobicContact CD2-CD1 4.38Å; Y304-L308 HydrophobicContact CD2-CG 4.31Å; Y304-L308 HydrophobicContact CE1-CD1 3.5Å; Y304-L308 HydrophobicContact CE1-CG 4.41Å; Y304-L308 HydrophobicContact CE2-CD1 3.87Å; Y304-L308 HydrophobicContact CE2-CD2 4.06Å; Y304-L308 HydrophobicContact CE2-CG 3.96Å; Y304-L308 HydrophobicContact CG-CD1 4.47Å; Y304-L308 VanDerWaalsContact CZ-CD1 3.44Å; Y304-L308 WeakPolarHBondContact O-CG 3.49Å; Y304-L308 PolarHBondContact O-N 3.24Å |
| 305 | Q | 97.4 | Very high | 94.5 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 17% | 0.168 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.8 | -51.9 | 173.5 | 173.4 | 179.2 | 91.5 | 0 | 0 | 111.3 | Q297 T300 A301 G302 A307 L308 L309 | Q297-Q305 VanDerWaalsContact C-NE2 3.31Å; Q297-Q305 VanDerWaalsContact CA-NE2 3.35Å; Q297-Q305 PolarHBondContact O-NE2 3.35Å; T300-Q305 PolarHBondContact O-NE2 2.85Å; T300-Q305 WeakPolarHBondContact OG1-CA 3.23Å; T300-Q305 WeakPolarHBondContact OG1-CB 3.45Å; T300-Q305 VanDerWaalsContact OG1-CG 3.3Å; T300-Q305 WeakPolarHBondContact OG1-CG 3.23Å; A301-Q305 PolarHBondContact O-N 3.42Å; G302-Q305 WeakPolarHBondContact O-CB 3.32Å; G302-Q305 PolarHBondContact O-N 3.39Å; Q305-A307 PolarHBondContact O-N 2.94Å; Q305-L308 PolarHBondContact O-N 3.07Å; Q305-L309 HydrophobicContact CG-CD1 3.73Å; Q305-L309 HydrophobicContact CG-CG 4.11Å; Q305-L309 VanDerWaalsContact O-CG 3.3Å; Q305-L309 WeakPolarHBondContact O-CG 3.42Å; Q305-L309 PolarHBondContact O-N 2.99Å |
| 306 | K | 96.8 | Very high | 93 | Very high | 80 Ų | 80 | 46.7 Ų | 46.7 | 35% | 0.348 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -53.9 | -44.7 | -178.5 | -67.6 | 176.8 | -169.5 | 162.2 | 0 | 110.7 | D34 L37 G302 D303 Y304 L309 Y310 | D34-K306 IonicContact OD1-NZ 3.96Å; D34-K306 PolarHBondContact OD1-NZ 2.69Å; D34-K306 IonicContact OD2-NZ 2.81Å; L37-K306 HydrophobicContact CD1-CB 3.52Å; L37-K306 HydrophobicContact CD1-CD 4.46Å; G302-K306 PolarHBondContact O-N 2.96Å; G302-K306 VanDerWaalsContact O-N 3.15Å; D303-K306 PolarHBondContact O-N 3.44Å; D303-K306 IonicContact OD1-NZ 2.81Å; D303-K306 PolarHBondContact OD1-NZ 3.29Å; Y304-K306 PolarHBondContact O-N 3.42Å; K306-L309 PolarHBondContact O-N 3.46Å; K306-Y310 VanDerWaalsContact O-CD2 3.3Å; K306-Y310 WeakPolarHBondContact O-CD2 3.41Å; K306-Y310 PolarHBondContact O-N 3.14Å |
| 307 | A | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -43.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L37 F75 L78 D303 Y304 Q305 L309 Y310 L311 | L37-A307 HydrophobicContact CD1-CB 3.72Å; L37-A307 HydrophobicContact CG-CB 4.11Å; F75-A307 HydrophobicContact CD2-CB 4.38Å; F75-A307 HydrophobicContact CE2-CB 4.13Å; L78-A307 HydrophobicContact CD2-CB 3.43Å; L78-A307 VanDerWaalsContact CD2-CB 3.43Å; D303-A307 WeakPolarHBondContact O-CB 3.31Å; D303-A307 PolarHBondContact O-N 2.9Å; Y304-A307 PolarHBondContact O-N 3.41Å; Q305-A307 PolarHBondContact O-N 2.94Å; A307-L309 VanDerWaalsContact C-N 3.31Å; A307-L309 PolarHBondContact O-N 3.27Å; A307-Y310 WeakPolarHBondContact O-CB 3.44Å; A307-Y310 PolarHBondContact O-N 3.24Å; A307-L311 WeakPolarHBondContact O-CG 3.33Å; A307-L311 PolarHBondContact O-N 3.38Å |
| 308 | L | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.3 | -41 | 174.4 | -68.6 | 177 | 0 | 0 | 0 | 112.1 | L78 L265 M269 I296 T300 Y304 Q305 Y310 L311 C312 | L78-L308 HydrophobicContact CD1-CD2 4.36Å; L78-L308 HydrophobicContact CD2-CD2 3.97Å; L78-L308 HydrophobicContact CD2-CG 4.16Å; L265-L308 HydrophobicContact CD2-CD1 3.64Å; L265-L308 HydrophobicContact CG-CD1 4.01Å; L265-L308 HydrophobicContact CG-CD2 4.44Å; M269-L308 HydrophobicContact CB-CD2 3.89Å; M269-L308 WeakPolarHBondContact CE-O 3.34Å; M269-L308 HydrophobicContact CG-CD2 3.94Å; I296-L308 HydrophobicContact CG2-CB 3.74Å; I296-L308 HydrophobicContact CG2-CD1 4.05Å; T300-L308 HydrophobicContact CG2-CD1 3.93Å; Y304-L308 HydrophobicContact CD1-CD1 4.05Å; Y304-L308 HydrophobicContact CD2-CD1 4.38Å; Y304-L308 HydrophobicContact CD2-CG 4.31Å; Y304-L308 HydrophobicContact CE1-CD1 3.5Å; Y304-L308 HydrophobicContact CE1-CG 4.41Å; Y304-L308 HydrophobicContact CE2-CD1 3.87Å; Y304-L308 HydrophobicContact CE2-CD2 4.06Å; Y304-L308 HydrophobicContact CE2-CG 3.96Å; Y304-L308 HydrophobicContact CG-CD1 4.47Å; Y304-L308 VanDerWaalsContact CZ-CD1 3.44Å; Y304-L308 WeakPolarHBondContact O-CG 3.49Å; Y304-L308 PolarHBondContact O-N 3.24Å; Q305-L308 PolarHBondContact O-N 3.07Å; L308-Y310 VanDerWaalsContact C-N 3.33Å; L308-Y310 PolarHBondContact O-N 3.41Å; L308-L311 CarbonylContact O-C 3.51Å; L308-L311 PolarHBondContact O-N 3.34Å; L308-C312 WeakPolarHBondContact O-CB 3.36Å; L308-C312 PolarHBondContact O-N 3.11Å |
| 309 | L | 97.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 42 Ų | 42 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 177 | -66.8 | 178.2 | 0 | 0 | 0 | 111.6 | Y293 I296 Q297 Q305 K306 A307 C312 G313 | Y293-L309 HydrophobicContact CD1-CD2 3.84Å; Y293-L309 HydrophobicContact CD2-CB 4.4Å; Y293-L309 HydrophobicContact CD2-CD2 3.84Å; Y293-L309 HydrophobicContact CE1-CD1 4.05Å; Y293-L309 HydrophobicContact CE1-CD2 3.78Å; Y293-L309 HydrophobicContact CE1-CG 4.39Å; Y293-L309 HydrophobicContact CE2-CB 3.74Å; Y293-L309 HydrophobicContact CE2-CD1 4.47Å; Y293-L309 HydrophobicContact CE2-CD2 3.81Å; Y293-L309 HydrophobicContact CE2-CG 4.19Å; Y293-L309 HydrophobicContact CG-CD2 3.86Å; Y293-L309 VanDerWaalsContact O-CD2 3.3Å; Y293-L309 WeakPolarHBondContact O-CD2 3.4Å; I296-L309 HydrophobicContact CB-CD2 3.84Å; I296-L309 HydrophobicContact CG2-CD2 3.62Å; I296-L309 HydrophobicContact CG2-CG 4.11Å; Q297-L309 HydrophobicContact CB-CD1 4.34Å; Q297-L309 HydrophobicContact CB-CD2 4.3Å; Q305-L309 HydrophobicContact CG-CD1 3.73Å; Q305-L309 HydrophobicContact CG-CG 4.11Å; Q305-L309 VanDerWaalsContact O-CG 3.3Å; Q305-L309 WeakPolarHBondContact O-CG 3.42Å; Q305-L309 PolarHBondContact O-N 2.99Å; K306-L309 PolarHBondContact O-N 3.46Å; A307-L309 VanDerWaalsContact C-N 3.31Å; A307-L309 PolarHBondContact O-N 3.27Å; L309-C312 WeakPolarHBondContact O-CB 3.33Å; L309-C312 PolarHBondContact O-N 3.34Å; L309-G313 PolarHBondContact O-N 2.86Å; L309-G313 VanDerWaalsContact O-O 3.14Å |
| 310 | Y | 96.1 | Very high | 92.3 | Very high | 109 Ų | 109 | 41.5 Ų | 41.5 | 43% | 0.427 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62 | -43 | 170.8 | -90.7 | -75.3 | 0 | 0 | 0 | 112.7 | L37 M38 K306 A307 L308 C312 G313 | L37-Y310 HydrophobicContact CD2-CD2 3.53Å; L37-Y310 HydrophobicContact CD2-CE2 3.6Å; M38-Y310 HydrophobicContact CE-CE1 4.32Å; M38-Y310 WeakPolarHBondContact CE-OH 3.4Å; M38-Y310 HydrophobicContact SD-CE1 4.12Å; M38-Y310 HydrophobicContact SD-CE2 3.65Å; M38-Y310 PolarHBondContact SD-OH 3.23Å; K306-Y310 VanDerWaalsContact O-CD2 3.3Å; K306-Y310 WeakPolarHBondContact O-CD2 3.41Å; K306-Y310 PolarHBondContact O-N 3.14Å; A307-Y310 WeakPolarHBondContact O-CB 3.44Å; A307-Y310 PolarHBondContact O-N 3.24Å; L308-Y310 VanDerWaalsContact C-N 3.33Å; L308-Y310 PolarHBondContact O-N 3.41Å; Y310-C312 VanDerWaalsContact C-N 3.31Å; Y310-C312 PolarHBondContact O-N 2.96Å; Y310-G313 PolarHBondContact O-N 3.16Å |
| 311 | L | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.6 | -30.9 | 176.2 | -63.4 | 178.6 | 0 | 0 | 0 | 112.5 | S6 V7 L78 L82 M269 V270 A307 L308 | S6-L311 VanDerWaalsContact CB-O 3.29Å; S6-L311 WeakPolarHBondContact CB-O 3.31Å; S6-L311 PolarHBondContact OG-O 3.01Å; V7-L311 HydrophobicContact CG2-CD2 3.73Å; L78-L311 HydrophobicContact CD1-CD1 3.84Å; L82-L311 HydrophobicContact CD1-CD1 4.28Å; L82-L311 HydrophobicContact CD1-CD2 4.3Å; L82-L311 HydrophobicContact CD2-CD1 3.88Å; L82-L311 HydrophobicContact CD2-CD2 3.7Å; L82-L311 HydrophobicContact CD2-CG 4.43Å; L82-L311 HydrophobicContact CG-CD1 4.46Å; M269-L311 HydrophobicContact CB-CD1 4.23Å; M269-L311 HydrophobicContact CE-CB 4.05Å; V270-L311 HydrophobicContact CG2-CD1 4.44Å; A307-L311 WeakPolarHBondContact O-CG 3.33Å; A307-L311 PolarHBondContact O-N 3.38Å; L308-L311 CarbonylContact O-C 3.51Å; L308-L311 PolarHBondContact O-N 3.34Å |
| 312 | C | 97.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67 | -40.8 | 172.6 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | M269 R281 Y293 I296 L308 L309 Y310 | M269-C312 HydrophobicContact CE-CB 3.61Å; M269-C312 VanDerWaalsContact CE-N 3.34Å; R281-C312 WeakPolarHBondContact CD-O 3.21Å; R281-C312 PolarHBondContact NH1-O 3.33Å; Y293-C312 HydrophobicContact CD2-CB 4.49Å; I296-C312 HydrophobicContact CD1-CB 4.19Å; L308-C312 WeakPolarHBondContact O-CB 3.36Å; L308-C312 PolarHBondContact O-N 3.11Å; L309-C312 WeakPolarHBondContact O-CB 3.33Å; L309-C312 PolarHBondContact O-N 3.34Å; Y310-C312 VanDerWaalsContact C-N 3.31Å; Y310-C312 PolarHBondContact O-N 2.96Å |
| 313 | G | 90.5 | Very high | 91.5 | Very high | 25 Ų | 25 | 40.7 Ų | 40.7 | 26% | 0.258 | 21% | 0.212 | S | C | . | . | trans | 96.6 | -145.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y293 L309 Y310 | Y293-G313 WeakPolarHBondContact CD2-O 3.32Å; Y293-G313 VanDerWaalsContact CE2-O 3.23Å; Y293-G313 WeakPolarHBondContact CE2-O 3.24Å; L309-G313 PolarHBondContact O-N 2.86Å; L309-G313 VanDerWaalsContact O-O 3.14Å; Y310-G313 PolarHBondContact O-N 3.16Å | ||
| 314 | G | 81.6 | Confident | 91.1 | Very high | 43 Ų | 43 | 40.7 Ų | 40.7 | 44% | 0.443 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -76.4 | 174.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R281 | R281-G314 PolarHBondContact NH2-O 2.93Š|
| 315 | K | 72.3 | Confident | 90.6 | Very high | 138 Ų | 138 | 43.1 Ų | 43.1 | 60% | 0.6 | 23% | 0.225 | S | C | * | . | trans | -70.3 | 141.2 | 164.8 | -69.3 | -174.7 | 174.8 | -168.6 | 0 | 110.1 | Y293 | Y293-K315 HydrophobicContact CD1-CD 4.24Å; Y293-K315 HydrophobicContact CD1-CG 3.55Å; Y293-K315 HydrophobicContact CD2-CG 4.4Å; Y293-K315 HydrophobicContact CE1-CD 4.31Å; Y293-K315 HydrophobicContact CE1-CG 3.87Å; Y293-K315 HydrophobicContact CG-CG 3.87Å | ||
| 316 | D | 65.6 | Low | 90 | Very high | 74 Ų | 74 | 43.7 Ų | 43.7 | 40% | 0.396 | 23% | 0.23 | S | C | . | . | trans | -119.6 | 0 | 179.9 | 33.9 | -65 | 0 | 0 | 0 | 113.1 | R281 K285 | R281-D316 IonicContact CZ-OD1 3.06Å; R281-D316 VanDerWaalsContact CZ-OD1 3.23Å; R281-D316 IonicContact NE-OD1 3.35Å; R281-D316 PolarHBondContact NE-OD1 3.39Å; R281-D316 IonicContact NH2-OD1 3.48Å; R281-D316 PolarHBondContact NH2-OD1 3.38Å; K285-D316 PolarHBondContact NZ-O 2.8Å; K285-D316 PolarHBondContact NZ-OXT 3.07Å |
Retrieved 316 of 316 residues in 1181.9 ms
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