| 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 | 43.2 | Very low | 68.2 | Low | 242 Ų | 242 | 112 Ų | 112 | 100% | 1.192 | 58% | 0.577 | S | S | * | * | 0 | 145.2 | 0 | -65.4 | 133.8 | 78.8 | 0 | 0 | 108.1 | |||||
| 2 | K | 47.3 | Very low | 70 | Confident | 205 Ų | 205 | 104.9 Ų | 104.9 | 89% | 0.891 | 54% | 0.54 | S | S | * | . | trans | -76.1 | 136.1 | 171.8 | -74.3 | -174.3 | 175.6 | -176.7 | 0 | 108.9 | ||||
| 3 | N | 53 | Low | 71.6 | Confident | 120 Ų | 120 | 99.1 Ų | 99.1 | 64% | 0.642 | 51% | 0.512 | S | S | * | . | trans | -76.7 | 118.7 | -178.3 | -170.4 | -0.5 | 0 | 0 | 0 | 109.6 | G5 A6 A7 | N3-G5 PolarHBondContact O-N 3.1Å; N3-A6 HydrophobicContact CB-CB 4.32Å; N3-A6 WeakPolarHBondContact O-CB 3.15Å; N3-A6 PolarHBondContact O-N 3.19Å; N3-A6 VanDerWaalsContact O-N 3.17Å; N3-A7 PolarHBondContact O-N 2.84Å | ||
| 4 | P | 61.3 | Low | 73 | Confident | 88 Ų | 88 | 95.1 Ų | 95.1 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.3 | -46.3 | -170 | 19.7 | -32.1 | 0 | 0 | 0 | 113.4 | A6 A7 E8 | P4-A6 PolarHBondContact O-N 2.9Å; P4-A6 VanDerWaalsContact O-N 3.13Å; P4-A7 WeakPolarHBondContact O-CB 3.17Å; P4-A7 PolarHBondContact O-N 2.86Å; P4-E8 PolarHBondContact O-N 3.28Å |
| 5 | G | 63.2 | Low | 74.4 | Confident | 29 Ų | 29 | 94.8 Ų | 94.8 | 30% | 0.299 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61 | -25 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N3 N9 | N3-G5 PolarHBondContact O-N 3.1Å; G5-N9 WeakPolarHBondContact O-CB 3.42Å; G5-N9 PolarHBondContact O-N 3.47Å |
| 6 | A | 68.6 | Low | 75.6 | Confident | 50 Ų | 50 | 88.9 Ų | 88.9 | 41% | 0.413 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -73.4 | -34.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | N3 P4 Q10 | N3-A6 HydrophobicContact CB-CB 4.32Å; N3-A6 WeakPolarHBondContact O-CB 3.15Å; N3-A6 PolarHBondContact O-N 3.19Å; N3-A6 VanDerWaalsContact O-N 3.17Å; P4-A6 PolarHBondContact O-N 2.9Å; P4-A6 VanDerWaalsContact O-N 3.13Å; A6-Q10 WeakPolarHBondContact O-CB 3.3Å; A6-Q10 VanDerWaalsContact O-CG 3.26Å; A6-Q10 WeakPolarHBondContact O-CG 3.46Å; A6-Q10 PolarHBondContact O-N 3.12Å; A6-Q10 VanDerWaalsContact O-N 3.12Å |
| 7 | A | 75.4 | Confident | 76.6 | Confident | 39 Ų | 39 | 90.1 Ų | 90.1 | 32% | 0.322 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.6 | -31.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N3 P4 R11 | N3-A7 PolarHBondContact O-N 2.84Å; P4-A7 WeakPolarHBondContact O-CB 3.17Å; P4-A7 PolarHBondContact O-N 2.86Å; A7-R11 WeakPolarHBondContact O-CG 3.4Å; A7-R11 PolarHBondContact O-N 3.06Å; A7-R11 VanDerWaalsContact O-N 3.11Å |
| 8 | E | 80.9 | Confident | 77.6 | Confident | 97 Ų | 97 | 90.7 Ų | 90.7 | 45% | 0.453 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.9 | -46.8 | 172.6 | -70.2 | 165.9 | 177.2 | 0 | 0 | 111.5 | P4 Q10 R11 L12 | P4-E8 PolarHBondContact O-N 3.28Å; E8-Q10 VanDerWaalsContact C-N 3.3Å; E8-Q10 PolarHBondContact O-N 3.02Å; E8-R11 WeakPolarHBondContact O-CB 3.32Å; E8-R11 PolarHBondContact O-N 3.27Å; E8-R11 VanDerWaalsContact O-N 3.1Å; E8-L12 WeakPolarHBondContact O-CG 3.35Å; E8-L12 PolarHBondContact O-N 2.85Å |
| 9 | N | 82.3 | Confident | 78.4 | Confident | 41 Ų | 41 | 85.9 Ų | 85.9 | 22% | 0.219 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 174.6 | -163.4 | -77.9 | 0 | 0 | 0 | 111.7 | G5 R11 L12 V13 | G5-N9 WeakPolarHBondContact O-CB 3.42Å; G5-N9 PolarHBondContact O-N 3.47Å; N9-R11 PolarHBondContact O-N 2.97Å; N9-L12 PolarHBondContact O-N 3.07Å; N9-V13 WeakPolarHBondContact O-CG2 3.38Å; N9-V13 PolarHBondContact O-N 3Å |
| 10 | Q | 86.2 | Confident | 79.2 | Confident | 143 Ų | 143 | 82.9 Ų | 82.9 | 67% | 0.668 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.5 | -40.1 | 173.9 | -77.2 | 173.4 | -13.2 | 0 | 0 | 113.1 | A6 E8 V13 A14 | A6-Q10 WeakPolarHBondContact O-CB 3.3Å; A6-Q10 VanDerWaalsContact O-CG 3.26Å; A6-Q10 WeakPolarHBondContact O-CG 3.46Å; A6-Q10 PolarHBondContact O-N 3.12Å; A6-Q10 VanDerWaalsContact O-N 3.12Å; E8-Q10 VanDerWaalsContact C-N 3.3Å; E8-Q10 PolarHBondContact O-N 3.02Å; Q10-V13 PolarHBondContact O-N 2.98Å; Q10-A14 PolarHBondContact O-N 2.97Å |
| 11 | R | 88.9 | Confident | 79.8 | Confident | 178 Ų | 178 | 80.8 Ų | 80.8 | 67% | 0.672 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66 | -41.3 | 174.2 | -72.9 | 166.3 | 173.8 | 178.7 | -3.8 | 112.2 | A7 E8 N9 V13 A14 L15 | A7-R11 WeakPolarHBondContact O-CG 3.4Å; A7-R11 PolarHBondContact O-N 3.06Å; A7-R11 VanDerWaalsContact O-N 3.11Å; E8-R11 WeakPolarHBondContact O-CB 3.32Å; E8-R11 PolarHBondContact O-N 3.27Å; E8-R11 VanDerWaalsContact O-N 3.1Å; N9-R11 PolarHBondContact O-N 2.97Å; R11-V13 VanDerWaalsContact C-N 3.34Å; R11-A14 PolarHBondContact O-N 3.23Å; R11-L15 WeakPolarHBondContact O-CG 3.38Å; R11-L15 PolarHBondContact O-N 3.42Å |
| 12 | L | 89.9 | Confident | 82.2 | Confident | 27 Ų | 27 | 71.4 Ų | 71.4 | 14% | 0.141 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.7 | -34.9 | 177.9 | -68.4 | 172.4 | 0 | 0 | 0 | 112.4 | E8 N9 L15 L16 A158 L159 | E8-L12 WeakPolarHBondContact O-CG 3.35Å; E8-L12 PolarHBondContact O-N 2.85Å; N9-L12 PolarHBondContact O-N 3.07Å; L12-L15 HydrophobicContact CD2-CD1 4.44Å; L12-L16 PolarHBondContact O-N 3.38Å; L12-A158 HydrophobicContact CD1-CB 3.9Å; L12-A158 HydrophobicContact CD2-CB 3.66Å; L12-A158 HydrophobicContact CG-CB 4.44Å; L12-L159 HydrophobicContact CB-CD2 3.52Å; L12-L159 HydrophobicContact CB-CG 3.96Å; L12-L159 HydrophobicContact CD1-CD2 4.34Å |
| 13 | V | 90.1 | Very high | 84.4 | Confident | 29 Ų | 29 | 62 Ų | 62 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 171.8 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | N9 Q10 R11 L15 L16 E17 L159 K232 | N9-V13 WeakPolarHBondContact O-CG2 3.38Å; N9-V13 PolarHBondContact O-N 3Å; Q10-V13 PolarHBondContact O-N 2.98Å; R11-V13 VanDerWaalsContact C-N 3.34Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 3.15Å; V13-L16 WeakPolarHBondContact O-CB 3.27Å; V13-L16 PolarHBondContact O-N 2.98Å; V13-L16 VanDerWaalsContact O-N 3.14Å; V13-E17 HydrophobicContact CG1-CG 4.5Å; V13-E17 WeakPolarHBondContact O-CG 3.48Å; V13-E17 PolarHBondContact O-N 3.12Å; V13-L159 HydrophobicContact CG2-CD2 4.12Å; V13-K232 HydrophobicContact CG2-CD 4.35Å |
| 14 | A | 92.1 | Very high | 86.1 | Confident | 43 Ų | 43 | 64.8 Ų | 64.8 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q10 R11 L16 E17 D18 | Q10-A14 PolarHBondContact O-N 2.97Å; R11-A14 PolarHBondContact O-N 3.23Å; A14-L16 VanDerWaalsContact C-N 3.3Å; A14-L16 PolarHBondContact O-N 2.93Å; A14-E17 PolarHBondContact O-N 3.5Å; A14-D18 PolarHBondContact O-N 3.31Å |
| 15 | L | 93.2 | Very high | 87.5 | Confident | 91 Ų | 91 | 67.2 Ų | 67.2 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 174.1 | -73.5 | 168.6 | 0 | 0 | 0 | 112.7 | R11 L12 V13 A19 | R11-L15 WeakPolarHBondContact O-CG 3.38Å; R11-L15 PolarHBondContact O-N 3.42Å; L12-L15 HydrophobicContact CD2-CD1 4.44Å; V13-L15 VanDerWaalsContact C-N 3.35Å; V13-L15 PolarHBondContact O-N 3.15Å; L15-A19 VanDerWaalsContact O-CB 3.32Å; L15-A19 WeakPolarHBondContact O-CB 3.37Å; L15-A19 PolarHBondContact O-N 3.5Å |
| 16 | L | 93.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67 | -46 | 172.3 | -178.3 | 62.1 | 0 | 0 | 0 | 111.3 | L12 V13 A14 D18 A19 L20 F152 I155 F156 L159 K232 | L12-L16 PolarHBondContact O-N 3.38Å; V13-L16 WeakPolarHBondContact O-CB 3.27Å; V13-L16 PolarHBondContact O-N 2.98Å; V13-L16 VanDerWaalsContact O-N 3.14Å; A14-L16 VanDerWaalsContact C-N 3.3Å; A14-L16 PolarHBondContact O-N 2.93Å; L16-D18 PolarHBondContact O-N 2.69Å; L16-A19 PolarHBondContact O-N 3.1Å; L16-A19 VanDerWaalsContact O-N 3.17Å; L16-L20 HydrophobicContact CD1-CD1 4.29Å; L16-L20 HydrophobicContact CD1-CG 4.28Å; L16-L20 HydrophobicContact CG-CD1 3.96Å; L16-L20 HydrophobicContact CG-CG 4.4Å; L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 3Å; L16-F152 HydrophobicContact CD1-CD1 3.84Å; L16-F152 HydrophobicContact CD1-CE1 3.96Å; L16-I155 HydrophobicContact CB-CG2 3.77Å; L16-I155 HydrophobicContact CD1-CG2 3.95Å; L16-I155 HydrophobicContact CG-CG2 4.36Å; L16-F156 HydrophobicContact CD1-CD1 4.41Å; L16-F156 HydrophobicContact CD1-CE1 3.65Å; L16-F156 HydrophobicContact CD1-CZ 4.05Å; L16-F156 HydrophobicContact CD2-CE1 3.93Å; L16-F156 HydrophobicContact CG-CE1 4.48Å; L16-L159 HydrophobicContact CD2-CD1 4.06Å; L16-K232 HydrophobicContact CD2-CB 3.84Å |
| 17 | E | 93.6 | Very high | 89.5 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 177.5 | -71.2 | 171.7 | 173.1 | 0 | 0 | 111.5 | V13 A14 A19 L20 G21 | V13-E17 HydrophobicContact CG1-CG 4.5Å; V13-E17 WeakPolarHBondContact O-CG 3.48Å; V13-E17 PolarHBondContact O-N 3.12Å; A14-E17 PolarHBondContact O-N 3.5Å; E17-A19 PolarHBondContact O-N 2.96Å; E17-L20 PolarHBondContact O-N 3.33Å; E17-G21 PolarHBondContact O-N 3.34Å |
| 18 | D | 93.5 | Very high | 90 | Very high | 102 Ų | 102 | 72.2 Ų | 72.2 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 173.2 | -79.6 | -29.3 | 0 | 0 | 0 | 112.4 | A14 L16 G21 R22 | A14-D18 PolarHBondContact O-N 3.31Å; L16-D18 PolarHBondContact O-N 2.69Å; D18-G21 PolarHBondContact O-N 2.75Å; D18-R22 WeakPolarHBondContact O-CG 3.24Å; D18-R22 PolarHBondContact O-N 3.01Å; D18-R22 PolarHBondContact O-NH1 3.26Å |
| 19 | A | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.2 | -44.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L15 L16 E17 G21 R22 E23 A147 F152 I155 | L15-A19 VanDerWaalsContact O-CB 3.32Å; L15-A19 WeakPolarHBondContact O-CB 3.37Å; L15-A19 PolarHBondContact O-N 3.5Å; L16-A19 PolarHBondContact O-N 3.1Å; L16-A19 VanDerWaalsContact O-N 3.17Å; E17-A19 PolarHBondContact O-N 2.96Å; A19-G21 VanDerWaalsContact C-N 3.3Å; A19-G21 PolarHBondContact O-N 2.81Å; A19-R22 PolarHBondContact O-N 3.16Å; A19-E23 PolarHBondContact O-N 3.46Å; A19-A147 HydrophobicContact CB-CB 4.18Å; A19-A147 VanDerWaalsContact O-CB 3.28Å; A19-A147 WeakPolarHBondContact O-CB 3.39Å; A19-F152 HydrophobicContact CB-CD1 4.37Å; A19-F152 HydrophobicContact CB-CE1 3.63Å; A19-F152 HydrophobicContact CB-CZ 3.95Å; A19-I155 HydrophobicContact CB-CD1 3.82Å |
| 20 | L | 93.8 | Very high | 90.2 | Very high | 24 Ų | 24 | 66.9 Ų | 66.9 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 172.8 | -67.2 | 167.6 | 0 | 0 | 0 | 111.5 | L16 E17 E23 M24 F152 | L16-L20 HydrophobicContact CD1-CD1 4.29Å; L16-L20 HydrophobicContact CD1-CG 4.28Å; L16-L20 HydrophobicContact CG-CD1 3.96Å; L16-L20 HydrophobicContact CG-CG 4.4Å; L16-L20 WeakPolarHBondContact O-CB 3.31Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 3Å; E17-L20 PolarHBondContact O-N 3.33Å; L20-E23 PolarHBondContact O-N 3.48Å; L20-M24 WeakPolarHBondContact O-CB 3.44Å; L20-M24 PolarHBondContact O-N 3.41Å; L20-F152 HydrophobicContact CD2-CE1 3.85Å; L20-F152 HydrophobicContact CD2-CZ 4.12Å; L20-F152 HydrophobicContact CG-CE1 4.08Å |
| 21 | G | 92.6 | Very high | 89.9 | Confident | 39 Ų | 39 | 64 Ų | 64 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E17 D18 A19 R25 | E17-G21 PolarHBondContact O-N 3.34Å; D18-G21 PolarHBondContact O-N 2.75Å; A19-G21 VanDerWaalsContact C-N 3.3Å; A19-G21 PolarHBondContact O-N 2.81Å; G21-R25 WeakPolarHBondContact O-CB 3.37Å; G21-R25 PolarHBondContact O-N 3.42Å |
| 22 | R | 92.6 | Very high | 89.1 | Confident | 45 Ų | 45 | 57.1 Ų | 57.1 | 17% | 0.17 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.4 | -44.2 | 171.1 | -70 | -168.9 | -55.8 | -77.5 | 15.8 | 111.7 | D18 A19 R25 L26 A147 | D18-R22 WeakPolarHBondContact O-CG 3.24Å; D18-R22 PolarHBondContact O-N 3.01Å; D18-R22 PolarHBondContact O-NH1 3.26Å; A19-R22 PolarHBondContact O-N 3.16Å; R22-R25 PolarHBondContact O-N 3.3Å; R22-L26 WeakPolarHBondContact O-CB 3.22Å; R22-L26 PolarHBondContact O-N 3.17Å; R22-A147 HydrophobicContact CB-CB 4.1Å |
| 23 | E | 93.8 | Very high | 88.1 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -52.9 | 175.9 | -175.6 | 174.7 | -111.9 | 0 | 0 | 110.9 | A19 L20 R25 L26 W27 A147 F152 K202 G203 S204 | A19-E23 PolarHBondContact O-N 3.46Å; L20-E23 PolarHBondContact O-N 3.48Å; E23-R25 PolarHBondContact O-N 2.85Å; E23-L26 PolarHBondContact O-N 2.61Å; E23-L26 VanDerWaalsContact O-N 3.16Å; E23-W27 HydrophobicContact CG-CB 3.96Å; E23-W27 HydrophobicContact CG-CG 4.42Å; E23-W27 WeakPolarHBondContact O-CA 3.34Å; E23-W27 WeakPolarHBondContact O-CB 3.39Å; E23-W27 PolarHBondContact O-N 3.23Å; E23-A147 HydrophobicContact CB-CB 4.43Å; E23-F152 HydrophobicContact CB-CE2 4.31Å; E23-F152 HydrophobicContact CB-CZ 4.08Å; E23-F152 WeakPolarHBondContact OE1-CE2 3.45Å; E23-K202 WeakPolarHBondContact OE1-CB 3.5Å; E23-G203 WeakPolarHBondContact OE1-CA 3.12Å; E23-G203 PolarHBondContact OE1-N 2.63Å; E23-S204 PolarHBondContact OE1-N 3.19Å; E23-S204 WeakPolarHBondContact OE2-CB 3.28Å; E23-S204 PolarHBondContact OE2-OG 3.33Å |
| 24 | M | 89.9 | Confident | 86.6 | Confident | 177 Ų | 177 | 67.9 Ų | 67.9 | 87% | 0.872 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.9 | -32.1 | 179.8 | -175.3 | 177.2 | 177.8 | 0 | 0 | 113.3 | L20 | L20-M24 WeakPolarHBondContact O-CB 3.44Å; L20-M24 PolarHBondContact O-N 3.41Å |
| 25 | R | 90.8 | Very high | 85.4 | Confident | 139 Ų | 139 | 70.4 Ų | 70.4 | 53% | 0.525 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -77.9 | -36.9 | 177.2 | -173.1 | 178.7 | 80.3 | -105.9 | 7.8 | 113.2 | G21 R22 E23 D143 | G21-R25 WeakPolarHBondContact O-CB 3.37Å; G21-R25 PolarHBondContact O-N 3.42Å; R22-R25 PolarHBondContact O-N 3.3Å; E23-R25 PolarHBondContact O-N 2.85Å; R25-D143 IonicContact CZ-OD2 3.86Å; R25-D143 VanDerWaalsContact CZ-OD2 3.28Å; R25-D143 IonicContact NE-OD2 2.63Å; R25-D143 PolarHBondContact NE-OD2 3.25Å; R25-D143 VanDerWaalsContact NH2-CG 3.34Å; R25-D143 IonicContact NH2-OD1 2.9Å; R25-D143 PolarHBondContact NH2-OD1 3.2Å; R25-D143 VanDerWaalsContact NH2-OD1 3.11Å; R25-D143 IonicContact NH2-OD2 3.01Å; R25-D143 PolarHBondContact NH2-OD2 3.19Å |
| 26 | L | 88.4 | Confident | 84.2 | Confident | 17 Ų | 17 | 67.6 Ų | 67.6 | 9% | 0.089 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -121.2 | -14.9 | -161.9 | -58.7 | 179 | 0 | 0 | 0 | 115.6 | R22 E23 K28 R77 D143 | R22-L26 WeakPolarHBondContact O-CB 3.22Å; R22-L26 PolarHBondContact O-N 3.17Å; E23-L26 PolarHBondContact O-N 2.61Å; E23-L26 VanDerWaalsContact O-N 3.16Å; L26-K28 PolarHBondContact O-N 2.83Å; L26-R77 VanDerWaalsContact O-CD 3.31Å; L26-R77 WeakPolarHBondContact O-CD 3.25Å; L26-R77 PolarHBondContact O-NE 3.49Å; L26-D143 WeakPolarHBondContact CD1-OD1 3.41Å; L26-D143 HydrophobicContact CD2-CB 4.3Å; L26-D143 VanDerWaalsContact CD2-OD2 3.31Å; L26-D143 WeakPolarHBondContact CD2-OD2 3.26Å |
| 27 | W | 85.6 | Confident | 83.2 | Confident | 114 Ų | 114 | 67.9 Ų | 67.9 | 43% | 0.432 | 34% | 0.344 | S | S | . | . | trans | -60.1 | 117.5 | 178 | 175.7 | 87.1 | 0 | 0 | 0 | 110.2 | E23 V29 Q200 F201 K202 | E23-W27 HydrophobicContact CG-CB 3.96Å; E23-W27 HydrophobicContact CG-CG 4.42Å; E23-W27 WeakPolarHBondContact O-CA 3.34Å; E23-W27 WeakPolarHBondContact O-CB 3.39Å; E23-W27 PolarHBondContact O-N 3.23Å; W27-V29 HydrophobicContact CZ2-CG2 4.03Å; W27-Q200 WeakPolarHBondContact CZ2-O 3.41Å; W27-F201 PolarHBondContact NE1-O 3.34Å; W27-K202 HydrophobicContact CD2-CG 4.41Å | ||
| 28 | K | 85.5 | Confident | 81.9 | Confident | 93 Ų | 93 | 67.8 Ų | 67.8 | 40% | 0.404 | 34% | 0.344 | S | S | . | . | trans | -154.4 | 120.9 | -179.4 | -158.5 | -171.9 | 178.2 | -173.1 | 0 | 108.9 | L26 R77 A80 T81 | L26-K28 PolarHBondContact O-N 2.83Å; K28-R77 HydrophobicContact CB-CG 4.2Å; K28-R77 WeakPolarHBondContact O-CA 3.31Å; K28-A80 HydrophobicContact CB-CB 4.41Å; K28-A80 HydrophobicContact CD-CB 3.93Å; K28-A80 WeakPolarHBondContact CE-O 3.38Å; K28-A80 HydrophobicContact CG-CB 3.72Å; K28-A80 PolarHBondContact NZ-O 3.48Å; K28-T81 PolarHBondContact NZ-OG1 2.75Å | ||
| 29 | V | 84.3 | Confident | 80.3 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | trans | -119.6 | 144.5 | -172.3 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | W27 V31 A80 S199 Q200 | W27-V29 HydrophobicContact CZ2-CG2 4.03Å; V29-V31 PolarHBondContact O-N 3.12Å; V29-A80 VanDerWaalsContact C-CB 3.49Å; V29-A80 WeakPolarHBondContact O-CB 3.33Å; V29-S199 VanDerWaalsContact CG1-O 3.26Å; V29-S199 WeakPolarHBondContact CG1-O 3.5Å; V29-S199 VanDerWaalsContact CG2-O 3.29Å; V29-S199 WeakPolarHBondContact CG2-O 3.34Å; V29-Q200 HydrophobicContact CG1-CG 4.18Å | ||
| 30 | P | 82.3 | Confident | 79.4 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.006 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 121.4 | 175.4 | -22.5 | 34.9 | 0 | 0 | 0 | 111.2 | F32 I37 N76 L79 A80 | P30-F32 WeakPolarHBondContact O-CD2 3.34Å; P30-F32 PolarHBondContact O-N 2.93Å; P30-I37 HydrophobicContact CB-CB 4.46Å; P30-I37 HydrophobicContact CB-CD1 3.78Å; P30-I37 HydrophobicContact CB-CG1 3.88Å; P30-I37 HydrophobicContact CB-CG2 3.82Å; P30-I37 HydrophobicContact CG-CD1 4.26Å; P30-N76 WeakPolarHBondContact CD-O 3.31Å; P30-N76 HydrophobicContact CG-CB 4.47Å; P30-N76 WeakPolarHBondContact CG-O 3.47Å; P30-L79 HydrophobicContact CB-CB 4.37Å; P30-L79 HydrophobicContact CG-CB 3.63Å; P30-A80 HydrophobicContact CG-CB 4.44Å |
| 31 | V | 80.8 | Confident | 78.7 | Confident | 83 Ų | 83 | 71 Ų | 71 | 50% | 0.503 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -80 | 119 | 175.6 | -180 | 0 | 0 | 0 | 0 | 109 | V29 K33 Q38 | V29-V31 PolarHBondContact O-N 3.12Å; V31-K33 HydrophobicContact CG1-CG 4.41Å; V31-Q38 WeakPolarHBondContact O-CB 3.41Å; V31-Q38 PolarHBondContact O-N 2.89Å |
| 32 | F | 72.1 | Confident | 78.3 | Confident | 33 Ų | 33 | 69.1 Ų | 69.1 | 15% | 0.145 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 133.4 | 175.5 | -66.9 | -90.4 | 0 | 0 | 0 | 110.9 | P30 C36 I37 P44 L47 H196 | P30-F32 WeakPolarHBondContact O-CD2 3.34Å; P30-F32 PolarHBondContact O-N 2.93Å; F32-C36 CarbonylContact C-O 3.53Å; F32-C36 VanDerWaalsContact CA-O 3.29Å; F32-C36 WeakPolarHBondContact CA-O 3.36Å; F32-I37 HydrophobicContact CD1-CG1 3.85Å; F32-I37 HydrophobicContact CE1-CB 4.49Å; F32-I37 HydrophobicContact CE1-CD1 4.2Å; F32-I37 HydrophobicContact CE1-CG1 3.33Å; F32-I37 HydrophobicContact CE2-CG1 4.46Å; F32-I37 HydrophobicContact CZ-CD1 4.21Å; F32-I37 HydrophobicContact CZ-CG1 3.69Å; F32-P44 HydrophobicContact CD1-CG 3.63Å; F32-P44 HydrophobicContact CE1-CB 4.15Å; F32-P44 HydrophobicContact CE1-CG 3.65Å; F32-P44 HydrophobicContact CG-CG 4.39Å; F32-P44 HydrophobicContact CZ-CG 4.44Å; F32-L47 HydrophobicContact CZ-CD2 3.87Å; F32-H196 HydrophobicContact CE2-CB 4.04Å; F32-H196 HydrophobicContact CZ-CB 4.15Å |
| 33 | K | 67.6 | Low | 78 | Confident | 118 Ų | 118 | 69.1 Ų | 69.1 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 137 | 172.3 | -70.4 | -175.7 | 178.7 | 162.3 | 0 | 108.8 | V31 S35 C36 Q38 | V31-K33 HydrophobicContact CG1-CG 4.41Å; K33-S35 PolarHBondContact O-N 2.93Å; K33-C36 PolarHBondContact N-O 3.09Å; K33-C36 PolarHBondContact O-N 2.76Å; K33-Q38 HydrophobicContact CD-CG 4.15Å |
| 34 | N | 59.8 | Low | 77.7 | Confident | 163 Ų | 163 | 69.6 Ų | 69.6 | 87% | 0.872 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 41.2 | -176.5 | -52.7 | -4.6 | 0 | 0 | 0 | 112.5 | C36 | N34-C36 VanDerWaalsContact C-N 3.26Å; N34-C36 PolarHBondContact O-N 3.11Å |
| 35 | S | 67.3 | Low | 77.6 | Confident | 96 Ų | 96 | 67.7 Ų | 67.7 | 67% | 0.671 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 16.3 | -179.6 | -51.5 | 0 | 0 | 0 | 0 | 116.8 | K33 P44 | K33-S35 PolarHBondContact O-N 2.93Å; S35-P44 WeakPolarHBondContact O-CD 3.14Å |
| 36 | C | 67.3 | Low | 77.6 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 22% | 0.223 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 163 | 170 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | F32 K33 N34 Q38 T40 I42 | F32-C36 CarbonylContact C-O 3.53Å; F32-C36 VanDerWaalsContact CA-O 3.29Å; F32-C36 WeakPolarHBondContact CA-O 3.36Å; K33-C36 PolarHBondContact N-O 3.09Å; K33-C36 PolarHBondContact O-N 2.76Å; N34-C36 VanDerWaalsContact C-N 3.26Å; N34-C36 PolarHBondContact O-N 3.11Å; C36-Q38 PolarHBondContact O-N 3.37Å; C36-T40 WeakPolarHBondContact CB-O 3.27Å; C36-I42 CarbonylContact C-O 3.59Å; C36-I42 WeakPolarHBondContact CA-O 3.42Å; C36-I42 WeakPolarHBondContact CB-O 3.36Å |
| 37 | I | 73.2 | Confident | 77.7 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 129.6 | 171.7 | -63.3 | 175 | 0 | 0 | 0 | 109.2 | P30 F32 G39 T40 I42 L79 | P30-I37 HydrophobicContact CB-CB 4.46Å; P30-I37 HydrophobicContact CB-CD1 3.78Å; P30-I37 HydrophobicContact CB-CG1 3.88Å; P30-I37 HydrophobicContact CB-CG2 3.82Å; P30-I37 HydrophobicContact CG-CD1 4.26Å; F32-I37 HydrophobicContact CD1-CG1 3.85Å; F32-I37 HydrophobicContact CE1-CB 4.49Å; F32-I37 HydrophobicContact CE1-CD1 4.2Å; F32-I37 HydrophobicContact CE1-CG1 3.33Å; F32-I37 HydrophobicContact CE2-CG1 4.46Å; F32-I37 HydrophobicContact CZ-CD1 4.21Å; F32-I37 HydrophobicContact CZ-CG1 3.69Å; I37-G39 PolarHBondContact O-N 2.94Å; I37-T40 WeakPolarHBondContact CB-OG1 3.35Å; I37-T40 PolarHBondContact O-N 3.36Å; I37-T40 PolarHBondContact O-OG1 3.09Å; I37-I42 HydrophobicContact CD1-CB 4.05Å; I37-I42 HydrophobicContact CD1-CG2 3.7Å; I37-I42 HydrophobicContact CG1-CB 4.37Å; I37-I42 HydrophobicContact CG1-CG2 4.32Å; I37-I42 PolarHBondContact N-O 3.13Å; I37-L79 HydrophobicContact CD1-CB 4.35Å; I37-L79 HydrophobicContact CD1-CD1 4.13Å |
| 38 | Q | 64.9 | Low | 78 | Confident | 107 Ų | 107 | 60.8 Ų | 60.8 | 50% | 0.5 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 105.8 | -168.4 | -178.3 | -177.1 | -47 | 0 | 0 | 113.7 | V31 K33 C36 | V31-Q38 WeakPolarHBondContact O-CB 3.41Å; V31-Q38 PolarHBondContact O-N 2.89Å; K33-Q38 HydrophobicContact CD-CG 4.15Å; C36-Q38 PolarHBondContact O-N 3.37Å |
| 39 | G | 60.8 | Low | 78.3 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 53% | 0.526 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 22.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | I37 K83 | I37-G39 PolarHBondContact O-N 2.94Å; G39-K83 WeakPolarHBondContact O-CD 3.37Å |
| 40 | T | 73.8 | Confident | 78.8 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 9% | 0.092 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -141.1 | 163.6 | 170.8 | 67.1 | 0 | 0 | 0 | 0 | 110.1 | C36 I37 I42 K83 A84 | C36-T40 WeakPolarHBondContact CB-O 3.27Å; I37-T40 WeakPolarHBondContact CB-OG1 3.35Å; I37-T40 PolarHBondContact O-N 3.36Å; I37-T40 PolarHBondContact O-OG1 3.09Å; T40-I42 VanDerWaalsContact C-N 3.27Å; T40-I42 PolarHBondContact O-N 2.82Å; T40-K83 HydrophobicContact CG2-CB 3.91Å; T40-K83 HydrophobicContact CG2-CG 4.22Å; T40-A84 WeakPolarHBondContact CB-O 3.4Å; T40-A84 VanDerWaalsContact CG2-O 3.26Å; T40-A84 WeakPolarHBondContact CG2-O 3.34Å |
| 41 | D | 78.8 | Confident | 79.4 | Confident | 127 Ų | 127 | 58.7 Ų | 58.7 | 68% | 0.679 | 32% | 0.321 | S | S | * | . | trans | -89.3 | 17.2 | 176.9 | -44.5 | -68.5 | 0 | 0 | 0 | 113.3 | P86 | D41-P86 HydrophobicContact CB-CG 4.05Š| ||
| 42 | I | 84.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -82.1 | 118.3 | -178.4 | -62.2 | 167.8 | 0 | 0 | 0 | 109.6 | C36 I37 T40 L79 A84 P86 L89 | C36-I42 CarbonylContact C-O 3.59Å; C36-I42 WeakPolarHBondContact CA-O 3.42Å; C36-I42 WeakPolarHBondContact CB-O 3.36Å; I37-I42 HydrophobicContact CD1-CB 4.05Å; I37-I42 HydrophobicContact CD1-CG2 3.7Å; I37-I42 HydrophobicContact CG1-CB 4.37Å; I37-I42 HydrophobicContact CG1-CG2 4.32Å; I37-I42 PolarHBondContact N-O 3.13Å; T40-I42 VanDerWaalsContact C-N 3.27Å; T40-I42 PolarHBondContact O-N 2.82Å; I42-L79 HydrophobicContact CD1-CD2 3.99Å; I42-A84 HydrophobicContact CD1-CB 3.87Å; I42-P86 HydrophobicContact CG1-CB 4.29Å; I42-P86 HydrophobicContact CG1-CG 3.74Å; I42-L89 HydrophobicContact CD1-CD1 4.35Å; I42-L89 HydrophobicContact CG2-CD2 3.84Å | ||
| 43 | T | 87.9 | Confident | 81 | Confident | 44 Ų | 44 | 59 Ų | 59 | 27% | 0.27 | 32% | 0.318 | S | S | . | . | trans | -85.5 | 156.5 | 178.2 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | F45 Q46 L47 | T43-F45 PolarHBondContact O-N 3.1Å; T43-Q46 PolarHBondContact O-N 3.01Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.41Å; T43-Q46 PolarHBondContact OG1-N 3.1Å; T43-L47 PolarHBondContact O-N 3.05Å; T43-L47 VanDerWaalsContact O-N 3.13Å | ||
| 44 | P | 86.6 | Confident | 82.3 | Confident | 20 Ų | 20 | 53.4 Ų | 53.4 | 13% | 0.13 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -51.1 | -40.9 | 169.9 | -29.5 | 33.3 | 0 | 0 | 0 | 114 | F32 S35 L47 Q48 H196 | F32-P44 HydrophobicContact CD1-CG 3.63Å; F32-P44 HydrophobicContact CE1-CB 4.15Å; F32-P44 HydrophobicContact CE1-CG 3.65Å; F32-P44 HydrophobicContact CG-CG 4.39Å; F32-P44 HydrophobicContact CZ-CG 4.44Å; S35-P44 WeakPolarHBondContact O-CD 3.14Å; P44-L47 PolarHBondContact O-N 3.1Å; P44-Q48 WeakPolarHBondContact O-CB 3.37Å; P44-Q48 PolarHBondContact O-N 3.42Å; P44-H196 HydrophobicContact CB-CB 3.98Å |
| 45 | F | 87.6 | Confident | 83.9 | Confident | 136 Ų | 136 | 46.3 Ų | 46.3 | 60% | 0.596 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.8 | -45.4 | 179.8 | -174.6 | -95 | 0 | 0 | 0 | 111.5 | T43 L47 Q48 D49 | T43-F45 PolarHBondContact O-N 3.1Å; F45-L47 VanDerWaalsContact C-N 3.29Å; F45-L47 PolarHBondContact O-N 3.46Å; F45-Q48 PolarHBondContact O-N 2.99Å; F45-D49 WeakPolarHBondContact CD1-OD2 3.48Å; F45-D49 WeakPolarHBondContact CE1-OD2 3.4Å; F45-D49 PolarHBondContact O-N 3.13Å |
| 46 | Q | 90.1 | Very high | 85.1 | Confident | 69 Ų | 69 | 45.9 Ų | 45.9 | 32% | 0.322 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.7 | -35.4 | 174.6 | -73.3 | 171.2 | -8 | 0 | 0 | 112.7 | T43 V50 L89 | T43-Q46 PolarHBondContact O-N 3.01Å; T43-Q46 WeakPolarHBondContact OG1-CG 3.41Å; T43-Q46 PolarHBondContact OG1-N 3.1Å; Q46-V50 WeakPolarHBondContact O-CB 3.31Å; Q46-V50 WeakPolarHBondContact O-CG2 3.43Å; Q46-V50 PolarHBondContact O-N 3.35Å; Q46-L89 HydrophobicContact CB-CD2 4.19Å |
| 47 | L | 91.4 | Very high | 86.3 | Confident | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.9 | -43.6 | 175.1 | -174.9 | 62.7 | 0 | 0 | 0 | 111.3 | F32 T43 P44 F45 V50 I51 L75 L79 L89 | F32-L47 HydrophobicContact CZ-CD2 3.87Å; T43-L47 PolarHBondContact O-N 3.05Å; T43-L47 VanDerWaalsContact O-N 3.13Å; P44-L47 PolarHBondContact O-N 3.1Å; F45-L47 VanDerWaalsContact C-N 3.29Å; F45-L47 PolarHBondContact O-N 3.46Å; L47-V50 PolarHBondContact O-N 2.9Å; L47-I51 HydrophobicContact CD1-CD1 4.13Å; L47-I51 HydrophobicContact CD1-CG1 4.38Å; L47-I51 HydrophobicContact CD2-CD1 4.48Å; L47-I51 HydrophobicContact CG-CD1 3.87Å; L47-I51 HydrophobicContact CG-CG1 4.48Å; L47-I51 WeakPolarHBondContact O-CG1 3.49Å; L47-I51 PolarHBondContact O-N 3.05Å; L47-L75 HydrophobicContact CD1-CD2 4.11Å; L47-L75 HydrophobicContact CD1-CG 4.49Å; L47-L79 HydrophobicContact CD1-CD1 3.67Å; L47-L89 HydrophobicContact CD1-CD1 4.5Å |
| 48 | Q | 91.6 | Very high | 87.2 | Confident | 53 Ų | 53 | 44.8 Ų | 44.8 | 25% | 0.248 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -50.3 | 176.6 | 178.5 | 171.3 | -4.4 | 0 | 0 | 111.8 | P44 F45 V50 I51 L52 A194 | P44-Q48 WeakPolarHBondContact O-CB 3.37Å; P44-Q48 PolarHBondContact O-N 3.42Å; F45-Q48 PolarHBondContact O-N 2.99Å; Q48-V50 VanDerWaalsContact C-N 3.26Å; Q48-V50 PolarHBondContact O-N 3.42Å; Q48-I51 PolarHBondContact O-N 2.86Å; Q48-L52 HydrophobicContact CG-CD1 4.08Å; Q48-L52 WeakPolarHBondContact O-CG 3.45Å; Q48-L52 PolarHBondContact O-N 3.21Å; Q48-A194 WeakPolarHBondContact CB-O 3.47Å; Q48-A194 HydrophobicContact CG-CB 4.38Å; Q48-A194 WeakPolarHBondContact CG-O 3.36Å |
| 49 | D | 91.8 | Very high | 88.5 | Confident | 67 Ų | 67 | 45.8 Ų | 45.8 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -53.9 | -44 | 174.5 | -77.1 | -13.6 | 0 | 0 | 0 | 111.7 | F45 W53 | F45-D49 WeakPolarHBondContact CD1-OD2 3.48Å; F45-D49 WeakPolarHBondContact CE1-OD2 3.4Å; F45-D49 PolarHBondContact O-N 3.13Å; D49-W53 VanDerWaalsContact O-CB 3.24Å; D49-W53 WeakPolarHBondContact O-CB 3.42Å; D49-W53 PolarHBondContact O-N 2.83Å |
| 50 | V | 94.6 | Very high | 90 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -72 | -34.2 | -178.2 | 169.8 | 0 | 0 | 0 | 0 | 112 | Q46 L47 Q48 L54 L89 K90 A93 | Q46-V50 WeakPolarHBondContact O-CB 3.31Å; Q46-V50 WeakPolarHBondContact O-CG2 3.43Å; Q46-V50 PolarHBondContact O-N 3.35Å; L47-V50 PolarHBondContact O-N 2.9Å; Q48-V50 VanDerWaalsContact C-N 3.26Å; Q48-V50 PolarHBondContact O-N 3.42Å; V50-L54 WeakPolarHBondContact O-CB 3.4Å; V50-L54 PolarHBondContact O-N 3.33Å; V50-L89 HydrophobicContact CB-CD2 4.44Å; V50-L89 HydrophobicContact CB-CG 4.4Å; V50-L89 HydrophobicContact CG1-CG 4.23Å; V50-L89 HydrophobicContact CG2-CD2 3.99Å; V50-L89 HydrophobicContact CG2-CG 4.05Å; V50-K90 HydrophobicContact CG2-CG 3.73Å; V50-A93 HydrophobicContact CG1-CB 3.32Å |
| 51 | I | 94.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.9 | -41.8 | 173.8 | -68.4 | 170.1 | 0 | 0 | 0 | 111.2 | L47 Q48 W53 L54 G55 F68 V72 L75 A194 | L47-I51 HydrophobicContact CD1-CD1 4.13Å; L47-I51 HydrophobicContact CD1-CG1 4.38Å; L47-I51 HydrophobicContact CD2-CD1 4.48Å; L47-I51 HydrophobicContact CG-CD1 3.87Å; L47-I51 HydrophobicContact CG-CG1 4.48Å; L47-I51 WeakPolarHBondContact O-CG1 3.49Å; L47-I51 PolarHBondContact O-N 3.05Å; Q48-I51 PolarHBondContact O-N 2.86Å; I51-W53 VanDerWaalsContact C-N 3.34Å; I51-W53 PolarHBondContact O-N 2.7Å; I51-L54 WeakPolarHBondContact O-CB 3.47Å; I51-L54 PolarHBondContact O-N 3.46Å; I51-G55 PolarHBondContact O-N 3.11Å; I51-F68 HydrophobicContact CG2-CE2 4.29Å; I51-F68 HydrophobicContact CG2-CZ 3.87Å; I51-V72 HydrophobicContact CD1-CG1 3.88Å; I51-V72 HydrophobicContact CG1-CG1 4.18Å; I51-V72 HydrophobicContact CG1-CG2 4.39Å; I51-V72 HydrophobicContact CG2-CG1 4.3Å; I51-V72 HydrophobicContact CG2-CG2 3.82Å; I51-L75 HydrophobicContact CG1-CD2 4.23Å; I51-A194 HydrophobicContact CB-CB 4.17Å; I51-A194 HydrophobicContact CG2-CB 3.69Å |
| 52 | L | 92.4 | Very high | 91.4 | Very high | 76 Ų | 76 | 46.8 Ų | 46.8 | 40% | 0.398 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 174.2 | -68.6 | 172.5 | 0 | 0 | 0 | 111.3 | Q48 L54 G55 E56 A194 | Q48-L52 HydrophobicContact CG-CD1 4.08Å; Q48-L52 WeakPolarHBondContact O-CG 3.45Å; Q48-L52 PolarHBondContact O-N 3.21Å; L52-L54 VanDerWaalsContact C-N 3.35Å; L52-L54 PolarHBondContact O-N 3.32Å; L52-G55 PolarHBondContact O-N 2.99Å; L52-G55 VanDerWaalsContact O-N 3.16Å; L52-E56 PolarHBondContact O-N 3.26Å; L52-E56 VanDerWaalsContact O-N 3.12Å; L52-A194 HydrophobicContact CD2-CB 3.92Å; L52-A194 HydrophobicContact CG-CB 4.07Å |
| 53 | W | 94.3 | Very high | 91.8 | Very high | 46 Ų | 46 | 47.5 Ų | 47.5 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | 172.4 | 174.7 | 72.9 | 0 | 0 | 0 | 112.7 | D49 I51 G55 E56 M57 K90 F94 C122 | D49-W53 VanDerWaalsContact O-CB 3.24Å; D49-W53 WeakPolarHBondContact O-CB 3.42Å; D49-W53 PolarHBondContact O-N 2.83Å; I51-W53 VanDerWaalsContact C-N 3.34Å; I51-W53 PolarHBondContact O-N 2.7Å; W53-G55 VanDerWaalsContact C-N 3.25Å; W53-G55 PolarHBondContact O-N 2.88Å; W53-E56 WeakPolarHBondContact O-CB 3.5Å; W53-E56 PolarHBondContact O-N 3.02Å; W53-E56 VanDerWaalsContact O-N 3.09Å; W53-M57 HydrophobicContact CD2-CG 4.15Å; W53-M57 HydrophobicContact CH2-CG 4.01Å; W53-M57 HydrophobicContact CZ2-CG 3.53Å; W53-M57 HydrophobicContact CZ2-SD 3.63Å; W53-M57 HydrophobicContact CZ3-CG 4.49Å; W53-M57 WeakPolarHBondContact O-CG 3.42Å; W53-M57 PolarHBondContact O-N 3.34Å; W53-K90 HydrophobicContact CE3-CG 4.35Å; W53-K90 HydrophobicContact CZ3-CB 4.24Å; W53-K90 HydrophobicContact CZ3-CG 4.39Å; W53-F94 HydrophobicContact CH2-CB 3.92Å; W53-F94 AromaticContact CH2-CD2 3.63Å; W53-F94 HydrophobicContact CH2-CD2 3.63Å; W53-F94 HydrophobicContact CH2-CG 4.1Å; W53-F94 HydrophobicContact CZ2-CD2 4.31Å; W53-F94 HydrophobicContact CZ3-CB 4.2Å; W53-F94 HydrophobicContact CZ3-CD2 4.41Å; W53-C122 WeakPolarHBondContact CZ2-SG 3.33Å |
| 54 | L | 95.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.2 | -42.4 | 171.7 | -134.9 | 155.3 | 0 | 0 | 0 | 110.9 | V50 I51 L52 M57 C58 F68 V72 L75 A93 L97 | V50-L54 WeakPolarHBondContact O-CB 3.4Å; V50-L54 PolarHBondContact O-N 3.33Å; I51-L54 WeakPolarHBondContact O-CB 3.47Å; I51-L54 PolarHBondContact O-N 3.46Å; L52-L54 VanDerWaalsContact C-N 3.35Å; L52-L54 PolarHBondContact O-N 3.32Å; L54-M57 PolarHBondContact O-N 3.45Å; L54-C58 PolarHBondContact O-N 2.96Å; L54-C58 PolarHBondContact O-SG 3.47Å; L54-F68 HydrophobicContact CB-CD2 4.5Å; L54-F68 HydrophobicContact CB-CE2 4.17Å; L54-F68 HydrophobicContact CD2-CD2 4.15Å; L54-V72 HydrophobicContact CD1-CG2 4.19Å; L54-V72 HydrophobicContact CD2-CG2 4.5Å; L54-L75 HydrophobicContact CD1-CD2 3.89Å; L54-A93 HydrophobicContact CD1-CB 3.85Å; L54-L97 HydrophobicContact CD2-CB 3.88Å; L54-L97 HydrophobicContact CD2-CD1 3.93Å; L54-L97 HydrophobicContact CD2-CD2 4.11Å; L54-L97 HydrophobicContact CD2-CG 4.18Å |
| 55 | G | 92.6 | Very high | 92.2 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 14% | 0.144 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.7 | -23.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | I51 L52 W53 R59 | I51-G55 PolarHBondContact O-N 3.11Å; L52-G55 PolarHBondContact O-N 2.99Å; L52-G55 VanDerWaalsContact O-N 3.16Å; W53-G55 VanDerWaalsContact C-N 3.25Å; W53-G55 PolarHBondContact O-N 2.88Å; G55-R59 WeakPolarHBondContact O-CG 3.35Å; G55-R59 PolarHBondContact O-N 2.98Å; G55-R59 PolarHBondContact O-NE 3.44Å |
| 56 | E | 92.3 | Very high | 92.5 | Very high | 87 Ų | 87 | 46 Ų | 46 | 41% | 0.407 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.2 | -46.2 | 165.7 | -171.2 | 59.7 | -140.7 | 0 | 0 | 110.7 | L52 W53 C58 R59 L60 | L52-E56 PolarHBondContact O-N 3.26Å; L52-E56 VanDerWaalsContact O-N 3.12Å; W53-E56 WeakPolarHBondContact O-CB 3.5Å; W53-E56 PolarHBondContact O-N 3.02Å; W53-E56 VanDerWaalsContact O-N 3.09Å; E56-C58 VanDerWaalsContact C-N 3.32Å; E56-C58 PolarHBondContact O-N 3.09Å; E56-R59 PolarHBondContact O-N 3.39Å; E56-R59 VanDerWaalsContact O-N 3.15Å; E56-R59 IonicContact OE2-CZ 3.15Å; E56-R59 VanDerWaalsContact OE2-CZ 3.24Å; E56-R59 IonicContact OE2-NE 3.11Å; E56-R59 IonicContact OE2-NH1 2.76Å; E56-R59 IonicContact OE2-NH2 3.85Å; E56-R59 PolarHBondContact OE2-NH2 3.16Å; E56-L60 WeakPolarHBondContact O-CB 3.37Å; E56-L60 PolarHBondContact O-N 3.18Å |
| 57 | M | 93.5 | Very high | 92.7 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.049 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -39.7 | 177.7 | -62.1 | -60.7 | 91.7 | 0 | 0 | 112.4 | W53 L54 R59 L60 F61 F94 L97 S120 | W53-M57 HydrophobicContact CD2-CG 4.15Å; W53-M57 HydrophobicContact CH2-CG 4.01Å; W53-M57 HydrophobicContact CZ2-CG 3.53Å; W53-M57 HydrophobicContact CZ2-SD 3.63Å; W53-M57 HydrophobicContact CZ3-CG 4.49Å; W53-M57 WeakPolarHBondContact O-CG 3.42Å; W53-M57 PolarHBondContact O-N 3.34Å; L54-M57 PolarHBondContact O-N 3.45Å; M57-R59 PolarHBondContact O-N 2.78Å; M57-L60 HydrophobicContact CE-CD2 3.72Å; M57-L60 PolarHBondContact O-N 2.83Å; M57-L60 HydrophobicContact SD-CD2 4.18Å; M57-F61 HydrophobicContact CB-CD2 4.43Å; M57-F61 HydrophobicContact CB-CE2 4.01Å; M57-F61 WeakPolarHBondContact O-CD2 3.26Å; M57-F61 VanDerWaalsContact O-CG 3.27Å; M57-F61 WeakPolarHBondContact O-CG 3.44Å; M57-F61 PolarHBondContact O-N 3.17Å; M57-F94 HydrophobicContact CG-CD2 4.39Å; M57-F94 HydrophobicContact CG-CE2 4.38Å; M57-F94 HydrophobicContact SD-CE2 4.38Å; M57-L97 HydrophobicContact CB-CD2 3.89Å; M57-S120 WeakPolarHBondContact SD-CB 3.48Å |
| 58 | C | 92.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 175.1 | -62 | 0 | 0 | 0 | 0 | 112.1 | L54 E56 F61 N62 F63 F68 L97 | L54-C58 PolarHBondContact O-N 2.96Å; L54-C58 PolarHBondContact O-SG 3.47Å; E56-C58 VanDerWaalsContact C-N 3.32Å; E56-C58 PolarHBondContact O-N 3.09Å; C58-F61 PolarHBondContact O-N 3.4Å; C58-N62 PolarHBondContact O-N 2.68Å; C58-F63 PolarHBondContact O-N 3.36Å; C58-F68 HydrophobicContact CB-CB 4.26Å; C58-F68 VanDerWaalsContact SG-CB 3.57Å; C58-L97 WeakPolarHBondContact SG-CD1 3.41Å |
| 59 | R | 91.1 | Very high | 93.1 | Very high | 128 Ų | 128 | 40.3 Ų | 40.3 | 48% | 0.483 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.8 | -40.6 | 176.7 | -74.1 | -179.7 | -72.9 | 154.2 | 4.2 | 111.9 | G55 E56 M57 F61 N62 S268 | G55-R59 WeakPolarHBondContact O-CG 3.35Å; G55-R59 PolarHBondContact O-N 2.98Å; G55-R59 PolarHBondContact O-NE 3.44Å; E56-R59 PolarHBondContact O-N 3.39Å; E56-R59 VanDerWaalsContact O-N 3.15Å; E56-R59 IonicContact OE2-CZ 3.15Å; E56-R59 VanDerWaalsContact OE2-CZ 3.24Å; E56-R59 IonicContact OE2-NE 3.11Å; E56-R59 IonicContact OE2-NH1 2.76Å; E56-R59 IonicContact OE2-NH2 3.85Å; E56-R59 PolarHBondContact OE2-NH2 3.16Å; M57-R59 PolarHBondContact O-N 2.78Å; R59-F61 VanDerWaalsContact C-N 3.29Å; R59-F61 PolarHBondContact O-N 3.26Å; R59-N62 PolarHBondContact O-N 2.93Å; R59-N62 VanDerWaalsContact O-N 3.14Å; R59-S268 PolarHBondContact NH1-OG 2.87Å |
| 60 | L | 92 | Very high | 93.3 | Very high | 65 Ų | 65 | 37.3 Ų | 37.3 | 34% | 0.34 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.6 | -35 | 177 | -179.4 | 61 | 0 | 0 | 0 | 112.7 | E56 M57 Q119 | E56-L60 WeakPolarHBondContact O-CB 3.37Å; E56-L60 PolarHBondContact O-N 3.18Å; M57-L60 HydrophobicContact CE-CD2 3.72Å; M57-L60 PolarHBondContact O-N 2.83Å; M57-L60 HydrophobicContact SD-CD2 4.18Å; L60-Q119 HydrophobicContact CD1-CG 4.37Å; L60-Q119 HydrophobicContact CD2-CG 4.23Å; L60-Q119 WeakPolarHBondContact CD2-O 3.05Å; L60-Q119 HydrophobicContact CG-CG 4.07Å; L60-Q119 PolarHBondContact O-NE2 3.18Å |
| 61 | F | 90.9 | Very high | 93.4 | Very high | 12 Ų | 12 | 37 Ų | 37 | 5% | 0.053 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -89.2 | -8.9 | 175.5 | -55.2 | -41.1 | 0 | 0 | 0 | 114.1 | M57 C58 R59 F63 F94 L97 L116 Q119 | M57-F61 HydrophobicContact CB-CD2 4.43Å; M57-F61 HydrophobicContact CB-CE2 4.01Å; M57-F61 WeakPolarHBondContact O-CD2 3.26Å; M57-F61 VanDerWaalsContact O-CG 3.27Å; M57-F61 WeakPolarHBondContact O-CG 3.44Å; M57-F61 PolarHBondContact O-N 3.17Å; C58-F61 PolarHBondContact O-N 3.4Å; R59-F61 VanDerWaalsContact C-N 3.29Å; R59-F61 PolarHBondContact O-N 3.26Å; F61-F63 VanDerWaalsContact C-N 3.27Å; F61-F63 HydrophobicContact CB-CD1 3.78Å; F61-F63 HydrophobicContact CB-CD2 3.95Å; F61-F63 HydrophobicContact CB-CE1 3.66Å; F61-F63 HydrophobicContact CB-CE2 3.85Å; F61-F63 HydrophobicContact CB-CG 3.93Å; F61-F63 HydrophobicContact CB-CZ 3.69Å; F61-F63 AromaticContact CD2-CD2 3.97Å; F61-F63 HydrophobicContact CD2-CD2 3.97Å; F61-F63 AromaticContact CD2-CE2 3.45Å; F61-F63 HydrophobicContact CD2-CE2 3.45Å; F61-F63 VanDerWaalsContact CD2-CE2 3.45Å; F61-F63 AromaticContact CD2-CZ 3.86Å; F61-F63 HydrophobicContact CD2-CZ 3.86Å; F61-F63 HydrophobicContact CE2-CE2 4.36Å; F61-F63 HydrophobicContact CG-CD2 4.46Å; F61-F63 HydrophobicContact CG-CE1 4.45Å; F61-F63 HydrophobicContact CG-CE2 4.02Å; F61-F63 HydrophobicContact CG-CZ 4.01Å; F61-F63 PolarHBondContact O-N 3.27Å; F61-F94 AromaticContact CE2-CE2 3.73Å; F61-F94 HydrophobicContact CE2-CE2 3.73Å; F61-F94 HydrophobicContact CE2-CZ 4.16Å; F61-F94 AromaticContact CZ-CE2 3.69Å; F61-F94 HydrophobicContact CZ-CE2 3.69Å; F61-F94 AromaticContact CZ-CZ 3.83Å; F61-F94 HydrophobicContact CZ-CZ 3.83Å; F61-L97 HydrophobicContact CD2-CD2 4.29Å; F61-L97 HydrophobicContact CE2-CD2 4.29Å; F61-L116 HydrophobicContact CD1-CD2 3.59Å; F61-L116 HydrophobicContact CD2-CD2 4.22Å; F61-L116 HydrophobicContact CE1-CB 4.2Å; F61-L116 HydrophobicContact CE1-CD2 3.68Å; F61-L116 HydrophobicContact CE2-CD2 4.28Å; F61-L116 HydrophobicContact CG-CD2 3.89Å; F61-L116 HydrophobicContact CZ-CB 4Å; F61-L116 HydrophobicContact CZ-CD2 4.02Å; F61-Q119 HydrophobicContact CD1-CG 4.2Å; F61-Q119 HydrophobicContact CE1-CB 4.05Å; F61-Q119 HydrophobicContact CE1-CG 3.87Å |
| 62 | N | 90.7 | Very high | 93.5 | Very high | 136 Ų | 136 | 36.9 Ų | 36.9 | 73% | 0.727 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 25.8 | -172.2 | -47.3 | -89.6 | 0 | 0 | 0 | 114.6 | C58 R59 | C58-N62 PolarHBondContact O-N 2.68Å; R59-N62 PolarHBondContact O-N 2.93Å; R59-N62 VanDerWaalsContact O-N 3.14Å |
| 63 | F | 93.1 | Very high | 93.6 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | trans | -66.6 | 154.1 | 174.7 | -64.8 | -18.5 | 0 | 0 | 0 | 112 | C58 F61 T67 L97 A101 E105 V109 L116 | C58-F63 PolarHBondContact O-N 3.36Å; F61-F63 VanDerWaalsContact C-N 3.27Å; F61-F63 HydrophobicContact CB-CD1 3.78Å; F61-F63 HydrophobicContact CB-CD2 3.95Å; F61-F63 HydrophobicContact CB-CE1 3.66Å; F61-F63 HydrophobicContact CB-CE2 3.85Å; F61-F63 HydrophobicContact CB-CG 3.93Å; F61-F63 HydrophobicContact CB-CZ 3.69Å; F61-F63 AromaticContact CD2-CD2 3.97Å; F61-F63 HydrophobicContact CD2-CD2 3.97Å; F61-F63 AromaticContact CD2-CE2 3.45Å; F61-F63 HydrophobicContact CD2-CE2 3.45Å; F61-F63 VanDerWaalsContact CD2-CE2 3.45Å; F61-F63 AromaticContact CD2-CZ 3.86Å; F61-F63 HydrophobicContact CD2-CZ 3.86Å; F61-F63 HydrophobicContact CE2-CE2 4.36Å; F61-F63 HydrophobicContact CG-CD2 4.46Å; F61-F63 HydrophobicContact CG-CE1 4.45Å; F61-F63 HydrophobicContact CG-CE2 4.02Å; F61-F63 HydrophobicContact CG-CZ 4.01Å; F61-F63 PolarHBondContact O-N 3.27Å; F63-T67 HydrophobicContact CB-CG2 3.91Å; F63-T67 HydrophobicContact CD2-CG2 3.86Å; F63-T67 HydrophobicContact CG-CG2 4.09Å; F63-L97 HydrophobicContact CD2-CD1 4.07Å; F63-L97 HydrophobicContact CD2-CD2 4.3Å; F63-L97 HydrophobicContact CD2-CG 4.16Å; F63-L97 HydrophobicContact CE2-CD2 4.35Å; F63-L97 HydrophobicContact CE2-CG 4.16Å; F63-A101 HydrophobicContact CD2-CB 4.11Å; F63-A101 HydrophobicContact CE1-CB 4.21Å; F63-A101 HydrophobicContact CE2-CB 3.66Å; F63-A101 HydrophobicContact CZ-CB 3.72Å; F63-E105 WeakPolarHBondContact CA-OE1 3.35Å; F63-E105 WeakPolarHBondContact CB-OE1 3.46Å; F63-E105 HydrophobicContact CD1-CG 3.95Å; F63-E105 HydrophobicContact CE1-CG 4.43Å; F63-E105 HydrophobicContact CG-CG 4.31Å; F63-V109 HydrophobicContact CD1-CG1 3.9Å; F63-V109 HydrophobicContact CE1-CG1 4.07Å; F63-L116 HydrophobicContact CZ-CD1 4.32Å; F63-L116 HydrophobicContact CZ-CD2 4.18Å | ||
| 64 | C | 91.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 32 Ų | 32 | 28% | 0.277 | 16% | 0.161 | S | C | . | . | trans | -69.6 | 165.8 | 177.4 | 72.3 | 0 | 0 | 0 | 0 | 112.8 | E66 T67 F68 E105 | C64-E66 VanDerWaalsContact C-N 3.3Å; C64-E66 WeakPolarHBondContact CB-OE2 3.4Å; C64-E66 PolarHBondContact O-N 3.13Å; C64-T67 WeakPolarHBondContact O-CB 3.44Å; C64-T67 PolarHBondContact O-N 2.99Å; C64-T67 PolarHBondContact SG-N 2.81Å; C64-T67 PolarHBondContact SG-OG1 3.46Å; C64-F68 PolarHBondContact O-N 2.86Å; C64-E105 PolarHBondContact N-OE1 2.9Å; C64-E105 PolarHBondContact SG-OE1 3.11Å | ||
| 65 | Q | 91.6 | Very high | 93.7 | Very high | 67 Ų | 67 | 32 Ų | 32 | 31% | 0.313 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -74.9 | -29.8 | -172.3 | -61.6 | -178.9 | 16.8 | 0 | 0 | 110.7 | F68 A69 I150 T186 | Q65-F68 WeakPolarHBondContact O-CB 3.43Å; Q65-F68 PolarHBondContact O-N 2.83Å; Q65-A69 PolarHBondContact O-N 3.14Å; Q65-I150 HydrophobicContact CB-CD1 4.06Å; Q65-I150 WeakPolarHBondContact O-CD1 3.37Å; Q65-T186 HydrophobicContact CB-CG2 3.94Å |
| 66 | E | 93.6 | Very high | 93.8 | Very high | 60 Ų | 60 | 31.9 Ų | 31.9 | 28% | 0.28 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.6 | -42.6 | 171.5 | -60.3 | 83.6 | 163.8 | 0 | 0 | 111.2 | C64 A69 L70 I150 H154 | C64-E66 VanDerWaalsContact C-N 3.3Å; C64-E66 WeakPolarHBondContact CB-OE2 3.4Å; C64-E66 PolarHBondContact O-N 3.13Å; E66-A69 PolarHBondContact O-N 3.06Å; E66-L70 VanDerWaalsContact O-CB 3.31Å; E66-L70 WeakPolarHBondContact O-CB 3.48Å; E66-L70 PolarHBondContact O-N 2.89Å; E66-I150 HydrophobicContact CG-CG2 4.06Å; E66-H154 IonicContact OE1-CE1 2.75Å; E66-H154 PolarHBondContact OE1-CE1 3.4Å; E66-H154 IonicContact OE1-ND1 2.93Å |
| 67 | T | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.4 | -41.5 | 173.5 | -69 | 0 | 0 | 0 | 0 | 112.5 | F63 C64 G71 L97 S100 A101 N104 E105 | F63-T67 HydrophobicContact CB-CG2 3.91Å; F63-T67 HydrophobicContact CD2-CG2 3.86Å; F63-T67 HydrophobicContact CG-CG2 4.09Å; C64-T67 WeakPolarHBondContact O-CB 3.44Å; C64-T67 PolarHBondContact O-N 2.99Å; C64-T67 PolarHBondContact SG-N 2.81Å; C64-T67 PolarHBondContact SG-OG1 3.46Å; T67-G71 PolarHBondContact O-N 3.23Å; T67-L97 HydrophobicContact CG2-CD1 3.78Å; T67-S100 WeakPolarHBondContact O-CB 3.33Å; T67-A101 HydrophobicContact CG2-CB 3.97Å; T67-N104 WeakPolarHBondContact CA-ND2 3.48Å; T67-N104 PolarHBondContact N-ND2 3.42Å; T67-N104 WeakPolarHBondContact OG1-CB 3.26Å; T67-N104 PolarHBondContact OG1-ND2 2.93Å; T67-E105 WeakPolarHBondContact CB-OE1 3.03Å; T67-E105 HydrophobicContact CG2-CG 4.37Å; T67-E105 PolarHBondContact OG1-OE1 2.78Å |
| 68 | F | 95.7 | Very high | 93.9 | Very high | 6 Ų | 6 | 28.2 Ų | 28.2 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.9 | -52.1 | 171.5 | 166.3 | -94.2 | 0 | 0 | 0 | 111.4 | I51 L54 C58 C64 Q65 L70 G71 V72 Q190 | I51-F68 HydrophobicContact CG2-CE2 4.29Å; I51-F68 HydrophobicContact CG2-CZ 3.87Å; L54-F68 HydrophobicContact CB-CD2 4.5Å; L54-F68 HydrophobicContact CB-CE2 4.17Å; L54-F68 HydrophobicContact CD2-CD2 4.15Å; C58-F68 HydrophobicContact CB-CB 4.26Å; C58-F68 VanDerWaalsContact SG-CB 3.57Å; C64-F68 PolarHBondContact O-N 2.86Å; Q65-F68 WeakPolarHBondContact O-CB 3.43Å; Q65-F68 PolarHBondContact O-N 2.83Å; F68-L70 PolarHBondContact O-N 3.18Å; F68-G71 PolarHBondContact O-N 2.96Å; F68-G71 VanDerWaalsContact O-N 3.15Å; F68-V72 HydrophobicContact CD1-CG2 4.48Å; F68-V72 HydrophobicContact CD2-CG2 4.25Å; F68-V72 HydrophobicContact CE1-CG2 4.03Å; F68-V72 HydrophobicContact CE2-CG2 3.78Å; F68-V72 HydrophobicContact CZ-CG2 3.67Å; F68-V72 WeakPolarHBondContact O-CG2 3.39Å; F68-V72 PolarHBondContact O-N 2.98Å; F68-Q190 HydrophobicContact CD1-CB 4.41Å; F68-Q190 HydrophobicContact CD1-CG 3.73Å; F68-Q190 HydrophobicContact CE1-CB 3.88Å; F68-Q190 HydrophobicContact CE1-CG 3.7Å |
| 69 | A | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67 | -39.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q65 E66 G71 V72 C73 T148 I150 M193 | Q65-A69 PolarHBondContact O-N 3.14Å; E66-A69 PolarHBondContact O-N 3.06Å; A69-G71 VanDerWaalsContact C-N 3.3Å; A69-G71 PolarHBondContact O-N 3.31Å; A69-V72 PolarHBondContact O-N 2.93Å; A69-C73 WeakPolarHBondContact O-CB 3.34Å; A69-C73 PolarHBondContact O-N 3.47Å; A69-C73 PolarHBondContact O-SG 2.86Å; A69-T148 HydrophobicContact CB-CG2 4.18Å; A69-I150 HydrophobicContact CB-CB 4.38Å; A69-I150 HydrophobicContact CB-CD1 3.45Å; A69-I150 VanDerWaalsContact CB-CD1 3.45Å; A69-I150 HydrophobicContact CB-CG1 3.78Å; A69-M193 HydrophobicContact CB-CE 3.88Å; A69-M193 HydrophobicContact CB-SD 3.87Å |
| 70 | L | 96 | Very high | 93.9 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.3 | -41.3 | 172.4 | -175.5 | 60.8 | 0 | 0 | 0 | 110.6 | E66 F68 V72 C73 V74 S100 I103 T146 T148 | E66-L70 VanDerWaalsContact O-CB 3.31Å; E66-L70 WeakPolarHBondContact O-CB 3.48Å; E66-L70 PolarHBondContact O-N 2.89Å; F68-L70 PolarHBondContact O-N 3.18Å; L70-V72 PolarHBondContact O-N 3.24Å; L70-C73 PolarHBondContact O-N 3.48Å; L70-V74 HydrophobicContact CD1-CG2 4.39Å; L70-V74 WeakPolarHBondContact O-CB 3.18Å; L70-V74 VanDerWaalsContact O-CG2 3.31Å; L70-V74 WeakPolarHBondContact O-CG2 3.5Å; L70-V74 PolarHBondContact O-N 2.9Å; L70-S100 VanDerWaalsContact C-OG 3.31Å; L70-I103 HydrophobicContact CD2-CB 4.18Å; L70-I103 HydrophobicContact CD2-CD1 4.15Å; L70-I103 HydrophobicContact CD2-CG2 4.13Å; L70-T146 HydrophobicContact CD1-CG2 4.08Å; L70-T148 HydrophobicContact CB-CG2 4.18Å; L70-T148 HydrophobicContact CD1-CG2 4.41Å |
| 71 | G | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T67 F68 A69 V74 L75 S96 S100 | T67-G71 PolarHBondContact O-N 3.23Å; F68-G71 PolarHBondContact O-N 2.96Å; F68-G71 VanDerWaalsContact O-N 3.15Å; A69-G71 VanDerWaalsContact C-N 3.3Å; A69-G71 PolarHBondContact O-N 3.31Å; G71-V74 PolarHBondContact O-N 3.19Å; G71-L75 WeakPolarHBondContact O-CB 3.48Å; G71-L75 PolarHBondContact O-N 2.93Å; G71-S96 WeakPolarHBondContact O-CB 3.32Å; G71-S100 WeakPolarHBondContact CA-OG 3.47Å; G71-S100 PolarHBondContact N-OG 3.32Å |
| 72 | V | 95.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.8 | -39.9 | 175.1 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | I51 L54 F68 A69 L70 L75 N76 M193 | I51-V72 HydrophobicContact CD1-CG1 3.88Å; I51-V72 HydrophobicContact CG1-CG1 4.18Å; I51-V72 HydrophobicContact CG1-CG2 4.39Å; I51-V72 HydrophobicContact CG2-CG1 4.3Å; I51-V72 HydrophobicContact CG2-CG2 3.82Å; L54-V72 HydrophobicContact CD1-CG2 4.19Å; L54-V72 HydrophobicContact CD2-CG2 4.5Å; F68-V72 HydrophobicContact CD1-CG2 4.48Å; F68-V72 HydrophobicContact CD2-CG2 4.25Å; F68-V72 HydrophobicContact CE1-CG2 4.03Å; F68-V72 HydrophobicContact CE2-CG2 3.78Å; F68-V72 HydrophobicContact CZ-CG2 3.67Å; F68-V72 WeakPolarHBondContact O-CG2 3.39Å; F68-V72 PolarHBondContact O-N 2.98Å; A69-V72 PolarHBondContact O-N 2.93Å; L70-V72 PolarHBondContact O-N 3.24Å; V72-L75 PolarHBondContact O-N 3.11Å; V72-N76 WeakPolarHBondContact O-CB 3.47Å; V72-N76 PolarHBondContact O-N 2.87Å; V72-N76 PolarHBondContact O-ND2 3.48Å; V72-M193 HydrophobicContact CB-CE 3.91Å; V72-M193 HydrophobicContact CG1-CB 4.47Å; V72-M193 HydrophobicContact CG1-CE 3.88Å |
| 73 | C | 95.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 25.8 Ų | 25.8 | 14% | 0.142 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 175.2 | -73.3 | 0 | 0 | 0 | 0 | 112.2 | A69 L70 N76 R77 T146 | A69-C73 WeakPolarHBondContact O-CB 3.34Å; A69-C73 PolarHBondContact O-N 3.47Å; A69-C73 PolarHBondContact O-SG 2.86Å; L70-C73 PolarHBondContact O-N 3.48Å; C73-N76 PolarHBondContact O-N 3.31Å; C73-R77 WeakPolarHBondContact O-CB 3.41Å; C73-R77 WeakPolarHBondContact O-CD 3.44Å; C73-R77 WeakPolarHBondContact O-CG 3.36Å; C73-R77 PolarHBondContact O-N 3.17Å; C73-T146 HydrophobicContact CB-CG2 3.66Å |
| 74 | V | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.5 | -43.8 | 174.7 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | L70 G71 R77 L78 I136 L140 L144 | L70-V74 HydrophobicContact CD1-CG2 4.39Å; L70-V74 WeakPolarHBondContact O-CB 3.18Å; L70-V74 VanDerWaalsContact O-CG2 3.31Å; L70-V74 WeakPolarHBondContact O-CG2 3.5Å; L70-V74 PolarHBondContact O-N 2.9Å; G71-V74 PolarHBondContact O-N 3.19Å; V74-R77 PolarHBondContact O-N 3.45Å; V74-L78 WeakPolarHBondContact O-CB 3.16Å; V74-L78 PolarHBondContact O-N 3.1Å; V74-I136 HydrophobicContact CG1-CG2 3.8Å; V74-L140 HydrophobicContact CG1-CD1 3.91Å; V74-L144 HydrophobicContact CG1-CD2 4.17Å; V74-L144 HydrophobicContact CG2-CB 4.37Å; V74-L144 HydrophobicContact CG2-CD2 4.21Å |
| 75 | L | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.7 | -51.9 | 173.8 | 172.1 | 62.6 | 0 | 0 | 0 | 111.4 | L47 I51 L54 G71 V72 L78 L79 L89 I92 A93 | L47-L75 HydrophobicContact CD1-CD2 4.11Å; L47-L75 HydrophobicContact CD1-CG 4.49Å; I51-L75 HydrophobicContact CG1-CD2 4.23Å; L54-L75 HydrophobicContact CD1-CD2 3.89Å; G71-L75 WeakPolarHBondContact O-CB 3.48Å; G71-L75 PolarHBondContact O-N 2.93Å; V72-L75 PolarHBondContact O-N 3.11Å; L75-L78 PolarHBondContact O-N 3.23Å; L75-L79 HydrophobicContact CD1-CD1 3.72Å; L75-L79 HydrophobicContact CD1-CG 4.05Å; L75-L79 HydrophobicContact CG-CD1 4.02Å; L75-L79 WeakPolarHBondContact O-CG 3.16Å; L75-L79 PolarHBondContact O-N 3.47Å; L75-L89 HydrophobicContact CD1-CD1 4.3Å; L75-I92 HydrophobicContact CD1-CB 4.42Å; L75-I92 HydrophobicContact CD1-CG2 3.65Å; L75-A93 HydrophobicContact CD1-CB 4.13Å; L75-A93 HydrophobicContact CD2-CB 3.86Å |
| 76 | N | 94.1 | Very high | 93.1 | Very high | 11 Ų | 11 | 25 Ų | 25 | 6% | 0.059 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | -178.9 | -77.5 | -19.7 | 0 | 0 | 0 | 112.1 | P30 V72 C73 L78 L79 A80 | P30-N76 WeakPolarHBondContact CD-O 3.31Å; P30-N76 HydrophobicContact CG-CB 4.47Å; P30-N76 WeakPolarHBondContact CG-O 3.47Å; V72-N76 WeakPolarHBondContact O-CB 3.47Å; V72-N76 PolarHBondContact O-N 2.87Å; V72-N76 PolarHBondContact O-ND2 3.48Å; C73-N76 PolarHBondContact O-N 3.31Å; N76-L78 VanDerWaalsContact C-N 3.3Å; N76-L78 PolarHBondContact O-N 3.41Å; N76-L79 PolarHBondContact O-N 3.04Å; N76-A80 VanDerWaalsContact O-CB 3.31Å; N76-A80 WeakPolarHBondContact O-CB 3.45Å; N76-A80 PolarHBondContact O-N 3.38Å |
| 77 | R | 94.1 | Very high | 92.9 | Very high | 18 Ų | 18 | 29.1 Ų | 29.1 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -36.6 | 175.7 | -72.1 | 170.5 | 68.8 | -137.7 | -9.1 | 112.1 | L26 K28 C73 V74 T81 L140 D143 L144 | L26-R77 VanDerWaalsContact O-CD 3.31Å; L26-R77 WeakPolarHBondContact O-CD 3.25Å; L26-R77 PolarHBondContact O-NE 3.49Å; K28-R77 HydrophobicContact CB-CG 4.2Å; K28-R77 WeakPolarHBondContact O-CA 3.31Å; C73-R77 WeakPolarHBondContact O-CB 3.41Å; C73-R77 WeakPolarHBondContact O-CD 3.44Å; C73-R77 WeakPolarHBondContact O-CG 3.36Å; C73-R77 PolarHBondContact O-N 3.17Å; V74-R77 PolarHBondContact O-N 3.45Å; R77-T81 WeakPolarHBondContact O-CB 3.46Å; R77-T81 PolarHBondContact O-OG1 2.89Å; R77-L140 HydrophobicContact CB-CD2 4.03Å; R77-D143 VanDerWaalsContact CZ-O 3.27Å; R77-D143 PolarHBondContact NH1-O 3.28Å; R77-D143 PolarHBondContact NH2-O 3.23Å; R77-L144 PolarHBondContact NH1-O 3.27Å |
| 78 | L | 94.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70 | -49 | 175.3 | -167 | 83.6 | 0 | 0 | 0 | 111.8 | V74 L75 N76 A80 T81 V82 I92 I136 K139 L140 | V74-L78 WeakPolarHBondContact O-CB 3.16Å; V74-L78 PolarHBondContact O-N 3.1Å; L75-L78 PolarHBondContact O-N 3.23Å; N76-L78 VanDerWaalsContact C-N 3.3Å; N76-L78 PolarHBondContact O-N 3.41Å; L78-A80 PolarHBondContact O-N 2.99Å; L78-T81 CarbonylContact O-C 3.52Å; L78-T81 WeakPolarHBondContact O-CA 3.33Å; L78-T81 WeakPolarHBondContact O-CB 3.28Å; L78-T81 PolarHBondContact O-N 3.03Å; L78-V82 HydrophobicContact CD2-CG2 4.3Å; L78-V82 HydrophobicContact CG-CG2 4Å; L78-V82 PolarHBondContact O-N 3.17Å; L78-I92 HydrophobicContact CD2-CG2 3.44Å; L78-I92 VanDerWaalsContact CD2-CG2 3.44Å; L78-I136 HydrophobicContact CD1-CB 4.36Å; L78-I136 HydrophobicContact CD1-CG1 4.11Å; L78-I136 HydrophobicContact CD1-CG2 4.41Å; L78-I136 HydrophobicContact CD2-CG1 3.79Å; L78-K139 HydrophobicContact CD1-CB 3.91Å; L78-L140 HydrophobicContact CD1-CG 4.2Å |
| 79 | L | 92.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -26.1 | 179.1 | -69.8 | 175.9 | 0 | 0 | 0 | 112.7 | P30 I37 I42 L47 L75 N76 T81 A84 L89 | P30-L79 HydrophobicContact CB-CB 4.37Å; P30-L79 HydrophobicContact CG-CB 3.63Å; I37-L79 HydrophobicContact CD1-CB 4.35Å; I37-L79 HydrophobicContact CD1-CD1 4.13Å; I42-L79 HydrophobicContact CD1-CD2 3.99Å; L47-L79 HydrophobicContact CD1-CD1 3.67Å; L75-L79 HydrophobicContact CD1-CD1 3.72Å; L75-L79 HydrophobicContact CD1-CG 4.05Å; L75-L79 HydrophobicContact CG-CD1 4.02Å; L75-L79 WeakPolarHBondContact O-CG 3.16Å; L75-L79 PolarHBondContact O-N 3.47Å; N76-L79 PolarHBondContact O-N 3.04Å; L79-T81 PolarHBondContact O-N 3.05Å; L79-A84 HydrophobicContact CD2-CB 3.64Å; L79-L89 HydrophobicContact CD1-CD1 3.81Å; L79-L89 HydrophobicContact CD2-CD1 4.11Å |
| 80 | A | 91.3 | Very high | 92.6 | Very high | 27 Ų | 27 | 37.6 Ų | 37.6 | 22% | 0.223 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -4.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K28 V29 P30 N76 L78 | K28-A80 HydrophobicContact CB-CB 4.41Å; K28-A80 HydrophobicContact CD-CB 3.93Å; K28-A80 WeakPolarHBondContact CE-O 3.38Å; K28-A80 HydrophobicContact CG-CB 3.72Å; K28-A80 PolarHBondContact NZ-O 3.48Å; V29-A80 VanDerWaalsContact C-CB 3.49Å; V29-A80 WeakPolarHBondContact O-CB 3.33Å; P30-A80 HydrophobicContact CG-CB 4.44Å; N76-A80 VanDerWaalsContact O-CB 3.31Å; N76-A80 WeakPolarHBondContact O-CB 3.45Å; N76-A80 PolarHBondContact O-N 3.38Å; L78-A80 PolarHBondContact O-N 2.99Å |
| 81 | T | 90.6 | Very high | 92.5 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 36% | 0.362 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -31.2 | -172.8 | -56.8 | 0 | 0 | 0 | 0 | 113 | K28 R77 L78 L79 | K28-T81 PolarHBondContact NZ-OG1 2.75Å; R77-T81 WeakPolarHBondContact O-CB 3.46Å; R77-T81 PolarHBondContact O-OG1 2.89Å; L78-T81 CarbonylContact O-C 3.52Å; L78-T81 WeakPolarHBondContact O-CA 3.33Å; L78-T81 WeakPolarHBondContact O-CB 3.28Å; L78-T81 PolarHBondContact O-N 3.03Å; L79-T81 PolarHBondContact O-N 3.05Å |
| 82 | V | 89.8 | Confident | 92.5 | Very high | 37 Ų | 37 | 38 Ų | 38 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -125.8 | 145.9 | -179.7 | -49.3 | 0 | 0 | 0 | 0 | 111.6 | L78 A84 K139 | L78-V82 HydrophobicContact CD2-CG2 4.3Å; L78-V82 HydrophobicContact CG-CG2 4Å; L78-V82 PolarHBondContact O-N 3.17Å; V82-A84 PolarHBondContact O-N 3.47Å; V82-A84 VanDerWaalsContact O-N 3.14Å; V82-K139 HydrophobicContact CG1-CB 4.07Å; V82-K139 HydrophobicContact CG1-CD 3.86Å; V82-K139 HydrophobicContact CG1-CG 3.88Å |
| 83 | K | 89.2 | Confident | 92.6 | Very high | 167 Ų | 167 | 38 Ų | 38 | 73% | 0.726 | 19% | 0.193 | S | C | * | . | trans | -77 | 96.4 | 168.6 | -69.3 | -178.6 | 175.8 | -175.4 | 0 | 109.5 | G39 T40 | G39-K83 WeakPolarHBondContact O-CD 3.37Å; T40-K83 HydrophobicContact CG2-CB 3.91Å; T40-K83 HydrophobicContact CG2-CG 4.22Å | ||
| 84 | A | 87.7 | Confident | 92.6 | Very high | 11 Ų | 11 | 37 Ų | 37 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | trans | -84.6 | 145.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | T40 I42 L79 V82 I92 | T40-A84 WeakPolarHBondContact CB-O 3.4Å; T40-A84 VanDerWaalsContact CG2-O 3.26Å; T40-A84 WeakPolarHBondContact CG2-O 3.34Å; I42-A84 HydrophobicContact CD1-CB 3.87Å; L79-A84 HydrophobicContact CD2-CB 3.64Å; V82-A84 PolarHBondContact O-N 3.47Å; V82-A84 VanDerWaalsContact O-N 3.14Å; A84-I92 HydrophobicContact CB-CD1 3.64Å | ||
| 85 | S | 88.1 | Confident | 92.7 | Very high | 57 Ų | 57 | 37 Ų | 37 | 40% | 0.399 | 19% | 0.187 | S | C | . | . | trans | -84.7 | 140.1 | 166.2 | 175.5 | 0 | 0 | 0 | 0 | 109.9 | K87 Y88 | S85-K87 PolarHBondContact O-N 3.15Å; S85-Y88 PolarHBondContact O-N 2.97Å | ||
| 86 | P | 87.9 | Confident | 92.7 | Very high | 39 Ų | 39 | 37 Ų | 37 | 25% | 0.253 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -50.6 | -32.7 | 176.2 | -27.5 | 32.8 | 0 | 0 | 0 | 114.3 | D41 I42 Y88 L89 | D41-P86 HydrophobicContact CB-CG 4.05Å; I42-P86 HydrophobicContact CG1-CB 4.29Å; I42-P86 HydrophobicContact CG1-CG 3.74Å; P86-Y88 PolarHBondContact O-N 2.82Å; P86-Y88 VanDerWaalsContact O-N 3.13Å; P86-L89 WeakPolarHBondContact O-CB 3.33Å; P86-L89 PolarHBondContact O-N 3.25Å; P86-L89 VanDerWaalsContact O-N 3.08Å |
| 87 | K | 89.9 | Confident | 92.9 | Very high | 147 Ų | 147 | 36.5 Ų | 36.5 | 64% | 0.639 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -52.2 | -36.4 | 176.5 | -176.9 | -173.9 | 172.6 | -162.5 | 0 | 112.8 | S85 | S85-K87 PolarHBondContact O-N 3.15Š|
| 88 | Y | 91.1 | Very high | 92.9 | Very high | 80 Ų | 80 | 35.6 Ų | 35.6 | 31% | 0.314 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -97.5 | -2.8 | -176 | -56.5 | -61.1 | 0 | 0 | 0 | 113.4 | S85 P86 K90 C91 I92 | S85-Y88 PolarHBondContact O-N 2.97Å; P86-Y88 PolarHBondContact O-N 2.82Å; P86-Y88 VanDerWaalsContact O-N 3.13Å; Y88-K90 PolarHBondContact O-N 3.36Å; Y88-C91 WeakPolarHBondContact O-CA 3.03Å; Y88-C91 WeakPolarHBondContact O-CB 3.5Å; Y88-C91 PolarHBondContact O-N 3Å; Y88-I92 WeakPolarHBondContact O-CG1 3.45Å; Y88-I92 PolarHBondContact O-N 3.04Å |
| 89 | L | 93.6 | Very high | 93 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.4 | -45 | -172.5 | -178.8 | 59.7 | 0 | 0 | 0 | 113 | I42 Q46 L47 V50 L75 L79 P86 C91 I92 A93 | I42-L89 HydrophobicContact CD1-CD1 4.35Å; I42-L89 HydrophobicContact CG2-CD2 3.84Å; Q46-L89 HydrophobicContact CB-CD2 4.19Å; L47-L89 HydrophobicContact CD1-CD1 4.5Å; V50-L89 HydrophobicContact CB-CD2 4.44Å; V50-L89 HydrophobicContact CB-CG 4.4Å; V50-L89 HydrophobicContact CG1-CG 4.23Å; V50-L89 HydrophobicContact CG2-CD2 3.99Å; V50-L89 HydrophobicContact CG2-CG 4.05Å; L75-L89 HydrophobicContact CD1-CD1 4.3Å; L79-L89 HydrophobicContact CD1-CD1 3.81Å; L79-L89 HydrophobicContact CD2-CD1 4.11Å; P86-L89 WeakPolarHBondContact O-CB 3.33Å; P86-L89 PolarHBondContact O-N 3.25Å; P86-L89 VanDerWaalsContact O-N 3.08Å; L89-C91 PolarHBondContact O-N 3.48Å; L89-I92 PolarHBondContact O-N 3.48Å; L89-A93 WeakPolarHBondContact O-CB 3.31Å; L89-A93 PolarHBondContact O-N 3.2Å |
| 90 | K | 94.6 | Very high | 93.2 | Very high | 99 Ų | 99 | 35.6 Ų | 35.6 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -65.5 | -35.3 | 175.1 | -75.4 | -169.9 | 175.7 | -167.9 | 0 | 113.1 | V50 W53 Y88 F94 F124 | V50-K90 HydrophobicContact CG2-CG 3.73Å; W53-K90 HydrophobicContact CE3-CG 4.35Å; W53-K90 HydrophobicContact CZ3-CB 4.24Å; W53-K90 HydrophobicContact CZ3-CG 4.39Å; Y88-K90 PolarHBondContact O-N 3.36Å; K90-F94 VanDerWaalsContact O-CB 3.25Å; K90-F94 WeakPolarHBondContact O-CB 3.48Å; K90-F94 PolarHBondContact O-N 2.88Å; K90-F124 HydrophobicContact CB-CZ 3.77Å |
| 91 | C | 94.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.2 | -42.6 | 176.9 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | Y88 L89 T95 F124 | Y88-C91 WeakPolarHBondContact O-CA 3.03Å; Y88-C91 WeakPolarHBondContact O-CB 3.5Å; Y88-C91 PolarHBondContact O-N 3Å; L89-C91 PolarHBondContact O-N 3.48Å; C91-T95 WeakPolarHBondContact O-CB 3.37Å; C91-T95 PolarHBondContact O-N 3.44Å; C91-T95 PolarHBondContact O-OG1 2.88Å; C91-F124 HydrophobicContact CB-CD1 4.02Å; C91-F124 HydrophobicContact CB-CE1 3.73Å; C91-F124 HydrophobicContact CB-CE2 4.28Å; C91-F124 HydrophobicContact CB-CG 4.44Å; C91-F124 HydrophobicContact CB-CZ 3.88Å |
| 92 | I | 96.4 | Very high | 93.5 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.2 | -55.8 | 172.1 | -65.5 | 163.2 | 0 | 0 | 0 | 109.5 | L75 L78 A84 Y88 L89 F94 T95 S96 M132 | L75-I92 HydrophobicContact CD1-CB 4.42Å; L75-I92 HydrophobicContact CD1-CG2 3.65Å; L78-I92 HydrophobicContact CD2-CG2 3.44Å; L78-I92 VanDerWaalsContact CD2-CG2 3.44Å; A84-I92 HydrophobicContact CB-CD1 3.64Å; Y88-I92 WeakPolarHBondContact O-CG1 3.45Å; Y88-I92 PolarHBondContact O-N 3.04Å; L89-I92 PolarHBondContact O-N 3.48Å; I92-F94 PolarHBondContact O-N 3.12Å; I92-T95 PolarHBondContact O-N 2.82Å; I92-T95 VanDerWaalsContact O-N 3.11Å; I92-S96 PolarHBondContact O-N 3.48Å; I92-S96 PolarHBondContact O-OG 3.47Å; I92-S96 VanDerWaalsContact O-OG 3.09Å; I92-M132 HydrophobicContact CG1-CE 3.7Å; I92-M132 HydrophobicContact CG1-CG 4.44Å; I92-M132 HydrophobicContact CG1-SD 3.62Å |
| 93 | A | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.9 | -45.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V50 L54 L75 L89 T95 S96 L97 | V50-A93 HydrophobicContact CG1-CB 3.32Å; L54-A93 HydrophobicContact CD1-CB 3.85Å; L75-A93 HydrophobicContact CD1-CB 4.13Å; L75-A93 HydrophobicContact CD2-CB 3.86Å; L89-A93 WeakPolarHBondContact O-CB 3.31Å; L89-A93 PolarHBondContact O-N 3.2Å; A93-T95 VanDerWaalsContact C-N 3.32Å; A93-T95 PolarHBondContact O-N 3.37Å; A93-S96 PolarHBondContact O-N 2.93Å; A93-L97 PolarHBondContact O-N 2.88Å |
| 94 | F | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 176.7 | -166.4 | -111.9 | 0 | 0 | 0 | 112.2 | W53 M57 F61 K90 I92 L97 I98 L116 V117 S120 F124 I129 | W53-F94 HydrophobicContact CH2-CB 3.92Å; W53-F94 AromaticContact CH2-CD2 3.63Å; W53-F94 HydrophobicContact CH2-CD2 3.63Å; W53-F94 HydrophobicContact CH2-CG 4.1Å; W53-F94 HydrophobicContact CZ2-CD2 4.31Å; W53-F94 HydrophobicContact CZ3-CB 4.2Å; W53-F94 HydrophobicContact CZ3-CD2 4.41Å; M57-F94 HydrophobicContact CG-CD2 4.39Å; M57-F94 HydrophobicContact CG-CE2 4.38Å; M57-F94 HydrophobicContact SD-CE2 4.38Å; F61-F94 AromaticContact CE2-CE2 3.73Å; F61-F94 HydrophobicContact CE2-CE2 3.73Å; F61-F94 HydrophobicContact CE2-CZ 4.16Å; F61-F94 AromaticContact CZ-CE2 3.69Å; F61-F94 HydrophobicContact CZ-CE2 3.69Å; F61-F94 AromaticContact CZ-CZ 3.83Å; F61-F94 HydrophobicContact CZ-CZ 3.83Å; K90-F94 VanDerWaalsContact O-CB 3.25Å; K90-F94 WeakPolarHBondContact O-CB 3.48Å; K90-F94 PolarHBondContact O-N 2.88Å; I92-F94 PolarHBondContact O-N 3.12Å; F94-L97 WeakPolarHBondContact O-CB 3.36Å; F94-L97 PolarHBondContact O-N 3.49Å; F94-I98 HydrophobicContact CD1-CD1 3.75Å; F94-I98 HydrophobicContact CE1-CD1 3.52Å; F94-I98 HydrophobicContact CZ-CD1 4.17Å; F94-I98 WeakPolarHBondContact O-CG1 3.29Å; F94-I98 PolarHBondContact O-N 2.92Å; F94-L116 HydrophobicContact CZ-CB 4.29Å; F94-V117 HydrophobicContact CE1-CG2 3.89Å; F94-S120 WeakPolarHBondContact CZ-OG 3.15Å; F94-F124 HydrophobicContact CB-CE2 4.24Å; F94-F124 HydrophobicContact CD1-CD2 4.25Å; F94-I129 HydrophobicContact CD1-CD1 3.89Å |
| 95 | T | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -73 | -35.6 | 177.4 | -48.7 | 0 | 0 | 0 | 0 | 111.9 | C91 I92 A93 L97 I98 L99 I129 M132 E133 I136 | C91-T95 WeakPolarHBondContact O-CB 3.37Å; C91-T95 PolarHBondContact O-N 3.44Å; C91-T95 PolarHBondContact O-OG1 2.88Å; I92-T95 PolarHBondContact O-N 2.82Å; I92-T95 VanDerWaalsContact O-N 3.11Å; A93-T95 VanDerWaalsContact C-N 3.32Å; A93-T95 PolarHBondContact O-N 3.37Å; T95-L97 VanDerWaalsContact C-N 3.29Å; T95-L97 PolarHBondContact O-N 3.44Å; T95-I98 PolarHBondContact O-N 2.85Å; T95-L99 WeakPolarHBondContact O-CB 3.33Å; T95-L99 PolarHBondContact O-N 2.95Å; T95-I129 HydrophobicContact CG2-CG2 4.12Å; T95-M132 HydrophobicContact CG2-CB 4.03Å; T95-M132 HydrophobicContact CG2-CG 4.08Å; T95-E133 HydrophobicContact CG2-CB 3.89Å; T95-I136 HydrophobicContact CG2-CD1 3.87Å |
| 96 | S | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.3 | -37.1 | 170.8 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | G71 I92 A93 S100 | G71-S96 WeakPolarHBondContact O-CB 3.32Å; I92-S96 PolarHBondContact O-N 3.48Å; I92-S96 PolarHBondContact O-OG 3.47Å; I92-S96 VanDerWaalsContact O-OG 3.09Å; A93-S96 PolarHBondContact O-N 2.93Å; S96-S100 WeakPolarHBondContact O-CB 3.46Å; S96-S100 PolarHBondContact O-N 2.94Å; S96-S100 VanDerWaalsContact O-N 3.13Å; S96-S100 PolarHBondContact O-OG 2.81Å |
| 97 | L | 96.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.5 | -50.9 | 172.4 | -177.2 | 56.8 | 0 | 0 | 0 | 111.7 | L54 M57 C58 F61 F63 T67 A93 F94 T95 L99 S100 A101 | L54-L97 HydrophobicContact CD2-CB 3.88Å; L54-L97 HydrophobicContact CD2-CD1 3.93Å; L54-L97 HydrophobicContact CD2-CD2 4.11Å; L54-L97 HydrophobicContact CD2-CG 4.18Å; M57-L97 HydrophobicContact CB-CD2 3.89Å; C58-L97 WeakPolarHBondContact SG-CD1 3.41Å; F61-L97 HydrophobicContact CD2-CD2 4.29Å; F61-L97 HydrophobicContact CE2-CD2 4.29Å; F63-L97 HydrophobicContact CD2-CD1 4.07Å; F63-L97 HydrophobicContact CD2-CD2 4.3Å; F63-L97 HydrophobicContact CD2-CG 4.16Å; F63-L97 HydrophobicContact CE2-CD2 4.35Å; F63-L97 HydrophobicContact CE2-CG 4.16Å; T67-L97 HydrophobicContact CG2-CD1 3.78Å; A93-L97 PolarHBondContact O-N 2.88Å; F94-L97 WeakPolarHBondContact O-CB 3.36Å; F94-L97 PolarHBondContact O-N 3.49Å; T95-L97 VanDerWaalsContact C-N 3.29Å; T95-L97 PolarHBondContact O-N 3.44Å; L97-L99 VanDerWaalsContact C-N 3.29Å; L97-L99 PolarHBondContact O-N 2.94Å; L97-S100 WeakPolarHBondContact O-CA 3.46Å; L97-S100 WeakPolarHBondContact O-CB 3.36Å; L97-S100 PolarHBondContact O-N 3.49Å; L97-A101 PolarHBondContact O-N 2.94Å |
| 98 | I | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.1 | -41 | 179.5 | -70.8 | 169.6 | 0 | 0 | 0 | 111.6 | F94 T95 S100 A101 K102 V113 L116 I129 | F94-I98 HydrophobicContact CD1-CD1 3.75Å; F94-I98 HydrophobicContact CE1-CD1 3.52Å; F94-I98 HydrophobicContact CZ-CD1 4.17Å; F94-I98 WeakPolarHBondContact O-CG1 3.29Å; F94-I98 PolarHBondContact O-N 2.92Å; T95-I98 PolarHBondContact O-N 2.85Å; I98-S100 VanDerWaalsContact C-N 3.27Å; I98-S100 PolarHBondContact O-N 3.01Å; I98-A101 PolarHBondContact O-N 3.43Å; I98-K102 HydrophobicContact CG2-CD 4.48Å; I98-K102 WeakPolarHBondContact O-CG 3.45Å; I98-K102 PolarHBondContact O-N 3.26Å; I98-K102 VanDerWaalsContact O-N 3.1Å; I98-V113 HydrophobicContact CD1-CG1 4.31Å; I98-V113 HydrophobicContact CG2-CG2 4.4Å; I98-L116 HydrophobicContact CD1-CD1 4.22Å; I98-L116 HydrophobicContact CG1-CD1 3.89Å; I98-I129 HydrophobicContact CD1-CG2 3.93Å |
| 99 | L | 96.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.9 | -31.5 | 174.4 | -85.6 | 171.4 | 0 | 0 | 0 | 113.3 | T95 L97 I103 E133 I136 L137 L144 | T95-L99 WeakPolarHBondContact O-CB 3.33Å; T95-L99 PolarHBondContact O-N 2.95Å; L97-L99 VanDerWaalsContact C-N 3.29Å; L97-L99 PolarHBondContact O-N 2.94Å; L99-I103 WeakPolarHBondContact O-CD1 3.18Å; L99-I103 WeakPolarHBondContact O-CG1 3.42Å; L99-E133 HydrophobicContact CD1-CG 4.16Å; L99-E133 HydrophobicContact CD2-CG 3.61Å; L99-E133 HydrophobicContact CG-CG 3.9Å; L99-I136 HydrophobicContact CD1-CB 3.7Å; L99-I136 HydrophobicContact CD1-CD1 4.04Å; L99-I136 HydrophobicContact CD1-CG1 4.47Å; L99-I136 HydrophobicContact CD1-CG2 3.48Å; L99-I136 VanDerWaalsContact CD1-CG2 3.48Å; L99-L137 HydrophobicContact CD1-CG 4.45Å; L99-L137 HydrophobicContact CD2-CD1 4.16Å; L99-L137 HydrophobicContact CD2-CD2 4.07Å; L99-L137 HydrophobicContact CD2-CG 4.1Å; L99-L144 HydrophobicContact CB-CD1 4.09Å; L99-L144 HydrophobicContact CD1-CD1 4.26Å; L99-L144 HydrophobicContact CD2-CD1 3.98Å; L99-L144 HydrophobicContact CG-CD1 4.35Å |
| 100 | S | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -79.8 | -36.1 | 178.1 | -56 | 0 | 0 | 0 | 0 | 111.7 | T67 L70 G71 S96 L97 I98 K102 I103 N104 | T67-S100 WeakPolarHBondContact O-CB 3.33Å; L70-S100 VanDerWaalsContact C-OG 3.31Å; G71-S100 WeakPolarHBondContact CA-OG 3.47Å; G71-S100 PolarHBondContact N-OG 3.32Å; S96-S100 WeakPolarHBondContact O-CB 3.46Å; S96-S100 PolarHBondContact O-N 2.94Å; S96-S100 VanDerWaalsContact O-N 3.13Å; S96-S100 PolarHBondContact O-OG 2.81Å; L97-S100 WeakPolarHBondContact O-CA 3.46Å; L97-S100 WeakPolarHBondContact O-CB 3.36Å; L97-S100 PolarHBondContact O-N 3.49Å; I98-S100 VanDerWaalsContact C-N 3.27Å; I98-S100 PolarHBondContact O-N 3.01Å; S100-K102 VanDerWaalsContact C-N 3.32Å; S100-K102 PolarHBondContact O-N 3.42Å; S100-I103 PolarHBondContact O-N 2.91Å; S100-N104 PolarHBondContact O-N 2.84Å |
| 101 | A | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F63 T67 L97 I98 I103 N104 E105 I110 | F63-A101 HydrophobicContact CD2-CB 4.11Å; F63-A101 HydrophobicContact CE1-CB 4.21Å; F63-A101 HydrophobicContact CE2-CB 3.66Å; F63-A101 HydrophobicContact CZ-CB 3.72Å; T67-A101 HydrophobicContact CG2-CB 3.97Å; L97-A101 PolarHBondContact O-N 2.94Å; I98-A101 PolarHBondContact O-N 3.43Å; A101-I103 PolarHBondContact O-N 3.08Å; A101-N104 PolarHBondContact O-N 3.45Å; A101-E105 HydrophobicContact CB-CG 3.95Å; A101-E105 WeakPolarHBondContact O-CB 3.46Å; A101-E105 PolarHBondContact O-N 2.96Å; A101-I110 HydrophobicContact CB-CG1 4.22Å |
| 102 | K | 93.7 | Very high | 89.6 | Confident | 85 Ų | 85 | 43 Ų | 43 | 37% | 0.37 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.7 | -4.4 | 172.2 | -72.3 | 174.4 | 174.6 | -177.1 | 0 | 116.2 | I98 S100 I110 E133 | I98-K102 HydrophobicContact CG2-CD 4.48Å; I98-K102 WeakPolarHBondContact O-CG 3.45Å; I98-K102 PolarHBondContact O-N 3.26Å; I98-K102 VanDerWaalsContact O-N 3.1Å; S100-K102 VanDerWaalsContact C-N 3.32Å; S100-K102 PolarHBondContact O-N 3.42Å; K102-I110 HydrophobicContact CG-CD1 4.45Å; K102-I110 HydrophobicContact CG-CG2 4.45Å; K102-E133 IonicContact NZ-OE1 3.98Å; K102-E133 PolarHBondContact NZ-OE1 2.98Å; K102-E133 IonicContact NZ-OE2 3.24Å; K102-E133 PolarHBondContact NZ-OE2 3.3Å |
| 103 | I | 92.5 | Very high | 89.1 | Confident | 71 Ų | 71 | 43.8 Ų | 43.8 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -112.3 | -32.8 | 178.6 | -62.8 | 166.8 | 0 | 0 | 0 | 111.3 | L70 L99 S100 A101 L144 Y145 | L70-I103 HydrophobicContact CD2-CB 4.18Å; L70-I103 HydrophobicContact CD2-CD1 4.15Å; L70-I103 HydrophobicContact CD2-CG2 4.13Å; L99-I103 WeakPolarHBondContact O-CD1 3.18Å; L99-I103 WeakPolarHBondContact O-CG1 3.42Å; S100-I103 PolarHBondContact O-N 2.91Å; A101-I103 PolarHBondContact O-N 3.08Å; I103-L144 HydrophobicContact CD1-CB 3.73Å; I103-L144 HydrophobicContact CD1-CD1 3.95Å; I103-L144 HydrophobicContact CD1-CG 4.5Å; I103-Y145 HydrophobicContact CG2-CD2 4.05Å |
| 104 | N | 91.4 | Very high | 88.5 | Confident | 58 Ų | 58 | 50.6 Ų | 50.6 | 31% | 0.31 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -114.2 | -25.5 | -168.2 | -71.9 | -1.2 | 0 | 0 | 0 | 114.4 | T67 S100 A101 | T67-N104 WeakPolarHBondContact CA-ND2 3.48Å; T67-N104 PolarHBondContact N-ND2 3.42Å; T67-N104 WeakPolarHBondContact OG1-CB 3.26Å; T67-N104 PolarHBondContact OG1-ND2 2.93Å; S100-N104 PolarHBondContact O-N 2.84Å; A101-N104 PolarHBondContact O-N 3.45Å |
| 105 | E | 91.3 | Very high | 88.1 | Confident | 35 Ų | 35 | 52 Ų | 52 | 16% | 0.164 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -100 | 159.6 | -175.8 | -51.2 | -67.1 | 157.8 | 0 | 0 | 111.3 | F63 C64 T67 A101 V109 I110 | F63-E105 WeakPolarHBondContact CA-OE1 3.35Å; F63-E105 WeakPolarHBondContact CB-OE1 3.46Å; F63-E105 HydrophobicContact CD1-CG 3.95Å; F63-E105 HydrophobicContact CE1-CG 4.43Å; F63-E105 HydrophobicContact CG-CG 4.31Å; C64-E105 PolarHBondContact N-OE1 2.9Å; C64-E105 PolarHBondContact SG-OE1 3.11Å; T67-E105 WeakPolarHBondContact CB-OE1 3.03Å; T67-E105 HydrophobicContact CG2-CG 4.37Å; T67-E105 PolarHBondContact OG1-OE1 2.78Å; A101-E105 HydrophobicContact CB-CG 3.95Å; A101-E105 WeakPolarHBondContact O-CB 3.46Å; A101-E105 PolarHBondContact O-N 2.96Å; E105-V109 HydrophobicContact CB-CB 4.31Å; E105-V109 HydrophobicContact CB-CG1 4.4Å; E105-I110 HydrophobicContact CB-CD1 4.3Å; E105-I110 HydrophobicContact CB-CG1 3.85Å |
| 106 | E | 83.7 | Confident | 87.7 | Confident | 141 Ų | 141 | 52.4 Ų | 52.4 | 66% | 0.659 | 29% | 0.286 | S | S | * | . | trans | -76.7 | 151 | 172.7 | -60.2 | 179 | 150.8 | 0 | 0 | 110.8 | E108 V109 I110 | E106-E108 PolarHBondContact O-N 3.5Å; E106-V109 HydrophobicContact CB-CG2 4.35Å; E106-V109 WeakPolarHBondContact O-CB 3.27Å; E106-V109 PolarHBondContact O-N 3.14Å; E106-I110 PolarHBondContact O-N 2.57Å | ||
| 107 | D | 78.4 | Confident | 87.3 | Confident | 140 Ų | 140 | 53 Ų | 53 | 75% | 0.749 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59 | -31.9 | -175.8 | -87.7 | -39.7 | 0 | 0 | 0 | 112.5 | V109 G111 | D107-V109 VanDerWaalsContact C-N 3.26Å; D107-V109 PolarHBondContact O-N 3.08Å; D107-G111 PolarHBondContact O-N 2.97Å |
| 108 | E | 73.6 | Confident | 86.9 | Confident | 163 Ų | 163 | 58.2 Ų | 58.2 | 76% | 0.762 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.2 | -32.2 | 172.7 | -68.9 | 87 | 164.8 | 0 | 0 | 113.4 | E106 | E106-E108 PolarHBondContact O-N 3.5Å |
| 109 | V | 73.3 | Confident | 86.6 | Confident | 58 Ų | 58 | 63 Ų | 63 | 35% | 0.352 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -85.7 | -37.7 | -176.2 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | F63 E105 E106 D107 G111 | F63-V109 HydrophobicContact CD1-CG1 3.9Å; F63-V109 HydrophobicContact CE1-CG1 4.07Å; E105-V109 HydrophobicContact CB-CB 4.31Å; E105-V109 HydrophobicContact CB-CG1 4.4Å; E106-V109 HydrophobicContact CB-CG2 4.35Å; E106-V109 WeakPolarHBondContact O-CB 3.27Å; E106-V109 PolarHBondContact O-N 3.14Å; D107-V109 VanDerWaalsContact C-N 3.26Å; D107-V109 PolarHBondContact O-N 3.08Å; V109-G111 VanDerWaalsContact C-N 3.33Å; V109-G111 PolarHBondContact O-N 2.99Å |
| 110 | I | 76.7 | Confident | 86.1 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 6% | 0.056 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.7 | -37 | -179.3 | -60 | 160.3 | 0 | 0 | 0 | 111.1 | A101 K102 E105 E106 L116 | A101-I110 HydrophobicContact CB-CG1 4.22Å; K102-I110 HydrophobicContact CG-CD1 4.45Å; K102-I110 HydrophobicContact CG-CG2 4.45Å; E105-I110 HydrophobicContact CB-CD1 4.3Å; E105-I110 HydrophobicContact CB-CG1 3.85Å; E106-I110 PolarHBondContact O-N 2.57Å; I110-L116 WeakPolarHBondContact O-CD1 3.24Å |
| 111 | G | 77.4 | Confident | 85.6 | Confident | 52 Ų | 52 | 66.2 Ų | 66.2 | 54% | 0.536 | 38% | 0.376 | S | S | . | . | trans | 58.8 | -152.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | D107 V109 | D107-G111 PolarHBondContact O-N 2.97Å; V109-G111 VanDerWaalsContact C-N 3.33Å; V109-G111 PolarHBondContact O-N 2.99Å | ||
| 112 | S | 85.9 | Confident | 85.2 | Confident | 74 Ų | 74 | 67.3 Ų | 67.3 | 52% | 0.517 | 38% | 0.384 | S | S | . | . | trans | -93.1 | 140.3 | 175.6 | 76.9 | 0 | 0 | 0 | 0 | 111.7 | K114 G115 L116 | S112-K114 PolarHBondContact O-N 3Å; S112-K114 VanDerWaalsContact O-N 3.1Å; S112-G115 WeakPolarHBondContact O-CA 3.5Å; S112-G115 PolarHBondContact O-N 3.45Å; S112-G115 PolarHBondContact OG-N 3.1Å; S112-G115 VanDerWaalsContact OG-N 3.09Å; S112-L116 PolarHBondContact O-N 3.39Å | ||
| 113 | V | 85.8 | Confident | 84.9 | Confident | 23 Ų | 23 | 71.2 Ų | 71.2 | 14% | 0.139 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -54 | -32.7 | 174.1 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | I98 V117 T126 I129 | I98-V113 HydrophobicContact CD1-CG1 4.31Å; I98-V113 HydrophobicContact CG2-CG2 4.4Å; V113-V117 WeakPolarHBondContact O-CB 3.49Å; V113-V117 VanDerWaalsContact O-CG2 3.27Å; V113-V117 WeakPolarHBondContact O-CG2 3.33Å; V113-V117 PolarHBondContact O-N 3.43Å; V113-T126 HydrophobicContact CB-CG2 4.26Å; V113-T126 HydrophobicContact CG1-CG2 4.01Å; V113-I129 HydrophobicContact CG1-CB 4.15Å; V113-I129 HydrophobicContact CG1-CG2 3.75Å |
| 114 | K | 85.3 | Confident | 84.7 | Confident | 143 Ų | 143 | 69.6 Ų | 69.6 | 62% | 0.622 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.5 | -40.3 | 173.3 | -174.5 | -178.3 | 176.7 | -174.6 | 0 | 112.1 | S112 V118 | S112-K114 PolarHBondContact O-N 3Å; S112-K114 VanDerWaalsContact O-N 3.1Å; K114-V118 WeakPolarHBondContact O-CG2 3.38Å; K114-V118 PolarHBondContact O-N 2.89Å; K114-V118 VanDerWaalsContact O-N 3.1Å |
| 115 | G | 86.9 | Confident | 84.7 | Confident | 31 Ų | 31 | 69.3 Ų | 69.3 | 32% | 0.32 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.5 | -51.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | S112 V117 V118 Q119 | S112-G115 WeakPolarHBondContact O-CA 3.5Å; S112-G115 PolarHBondContact O-N 3.45Å; S112-G115 PolarHBondContact OG-N 3.1Å; S112-G115 VanDerWaalsContact OG-N 3.09Å; G115-V117 VanDerWaalsContact C-N 3.3Å; G115-V117 PolarHBondContact O-N 3.07Å; G115-V118 PolarHBondContact O-N 3.5Å; G115-V118 VanDerWaalsContact O-N 3.11Å; G115-Q119 WeakPolarHBondContact O-CB 3.43Å; G115-Q119 PolarHBondContact O-N 2.94Å |
| 116 | L | 88.7 | Confident | 84.7 | Confident | 8 Ų | 8 | 69.8 Ų | 69.8 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -57.1 | -41.5 | 177.8 | -61.9 | -179.8 | 0 | 0 | 0 | 112.3 | F61 F63 F94 I98 I110 S112 Q119 S120 | F61-L116 HydrophobicContact CD1-CD2 3.59Å; F61-L116 HydrophobicContact CD2-CD2 4.22Å; F61-L116 HydrophobicContact CE1-CB 4.2Å; F61-L116 HydrophobicContact CE1-CD2 3.68Å; F61-L116 HydrophobicContact CE2-CD2 4.28Å; F61-L116 HydrophobicContact CG-CD2 3.89Å; F61-L116 HydrophobicContact CZ-CB 4Å; F61-L116 HydrophobicContact CZ-CD2 4.02Å; F63-L116 HydrophobicContact CZ-CD1 4.32Å; F63-L116 HydrophobicContact CZ-CD2 4.18Å; F94-L116 HydrophobicContact CZ-CB 4.29Å; I98-L116 HydrophobicContact CD1-CD1 4.22Å; I98-L116 HydrophobicContact CG1-CD1 3.89Å; I110-L116 WeakPolarHBondContact O-CD1 3.24Å; S112-L116 PolarHBondContact O-N 3.39Å; L116-Q119 PolarHBondContact O-N 3.32Å; L116-S120 WeakPolarHBondContact O-CB 3.49Å; L116-S120 PolarHBondContact O-N 3.25Å; L116-S120 PolarHBondContact O-OG 3.45Å |
| 117 | V | 89.4 | Confident | 85.1 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 175.5 | 162.5 | 0 | 0 | 0 | 0 | 112.6 | F94 V113 G115 S120 F124 I129 | F94-V117 HydrophobicContact CE1-CG2 3.89Å; V113-V117 WeakPolarHBondContact O-CB 3.49Å; V113-V117 VanDerWaalsContact O-CG2 3.27Å; V113-V117 WeakPolarHBondContact O-CG2 3.33Å; V113-V117 PolarHBondContact O-N 3.43Å; G115-V117 VanDerWaalsContact C-N 3.3Å; G115-V117 PolarHBondContact O-N 3.07Å; V117-S120 PolarHBondContact O-OG 3.3Å; V117-S120 VanDerWaalsContact O-OG 3.1Å; V117-F124 WeakPolarHBondContact CG1-O 3.32Å; V117-I129 HydrophobicContact CG2-CG1 3.92Å |
| 118 | V | 88.7 | Confident | 85.8 | Confident | 110 Ų | 110 | 61.8 Ų | 61.8 | 67% | 0.667 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.9 | -42.4 | 177.5 | 168 | 0 | 0 | 0 | 0 | 110.7 | K114 G115 G121 | K114-V118 WeakPolarHBondContact O-CG2 3.38Å; K114-V118 PolarHBondContact O-N 2.89Å; K114-V118 VanDerWaalsContact O-N 3.1Å; G115-V118 PolarHBondContact O-N 3.5Å; G115-V118 VanDerWaalsContact O-N 3.11Å; V118-G121 PolarHBondContact O-N 2.93Å |
| 119 | Q | 88.3 | Confident | 86.8 | Confident | 99 Ų | 99 | 54 Ų | 54 | 46% | 0.463 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.4 | -34.1 | -179.3 | 179.5 | 174.6 | -3.8 | 0 | 0 | 112.7 | L60 F61 G115 L116 G121 | L60-Q119 HydrophobicContact CD1-CG 4.37Å; L60-Q119 HydrophobicContact CD2-CG 4.23Å; L60-Q119 WeakPolarHBondContact CD2-O 3.05Å; L60-Q119 HydrophobicContact CG-CG 4.07Å; L60-Q119 PolarHBondContact O-NE2 3.18Å; F61-Q119 HydrophobicContact CD1-CG 4.2Å; F61-Q119 HydrophobicContact CE1-CB 4.05Å; F61-Q119 HydrophobicContact CE1-CG 3.87Å; G115-Q119 WeakPolarHBondContact O-CB 3.43Å; G115-Q119 PolarHBondContact O-N 2.94Å; L116-Q119 PolarHBondContact O-N 3.32Å; Q119-G121 PolarHBondContact O-N 3.34Å |
| 120 | S | 86.8 | Confident | 87.8 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -5.2 | 177.2 | 66.5 | 0 | 0 | 0 | 0 | 115 | M57 F94 L116 V117 C122 | M57-S120 WeakPolarHBondContact SD-CB 3.48Å; F94-S120 WeakPolarHBondContact CZ-OG 3.15Å; L116-S120 WeakPolarHBondContact O-CB 3.49Å; L116-S120 PolarHBondContact O-N 3.25Å; L116-S120 PolarHBondContact O-OG 3.45Å; V117-S120 PolarHBondContact O-OG 3.3Å; V117-S120 VanDerWaalsContact O-OG 3.1Å; S120-C122 PolarHBondContact O-N 3.36Å; S120-C122 VanDerWaalsContact O-N 3.12Å; S120-C122 PolarHBondContact O-SG 2.96Å; S120-C122 WeakPolarHBondContact OG-CB 3.38Å; S120-C122 PolarHBondContact OG-SG 3.48Å |
| 121 | G | 85.6 | Confident | 88.7 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 65% | 0.649 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 17.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | V118 Q119 | V118-G121 PolarHBondContact O-N 2.93Å; Q119-G121 PolarHBondContact O-N 3.34Å |
| 122 | C | 85.4 | Confident | 89.6 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 16% | 0.162 | 34% | 0.342 | C | S | . | . | trans | -86.8 | 138.2 | -173.4 | -74 | 0 | 0 | 0 | 0 | 112.7 | W53 S120 F124 | W53-C122 WeakPolarHBondContact CZ2-SG 3.33Å; S120-C122 PolarHBondContact O-N 3.36Å; S120-C122 VanDerWaalsContact O-N 3.12Å; S120-C122 PolarHBondContact O-SG 2.96Å; S120-C122 WeakPolarHBondContact OG-CB 3.38Å; S120-C122 PolarHBondContact OG-SG 3.48Å; C122-F124 HydrophobicContact CB-CD2 3.5Å; C122-F124 VanDerWaalsContact CB-CD2 3.5Å; C122-F124 HydrophobicContact CB-CE2 3.69Å; C122-F124 HydrophobicContact CB-CG 4.13Å; C122-F124 HydrophobicContact CB-CZ 4.46Å; C122-F124 PolarHBondContact O-N 3.31Å | ||
| 123 | N | 86.8 | Confident | 90.1 | Very high | 166 Ų | 166 | 57.8 Ų | 57.8 | 89% | 0.888 | 32% | 0.324 | S | S | * | . | trans | -74.3 | 31.7 | 175.1 | -61.9 | -35.3 | 0 | 0 | 0 | 113.6 | ||||
| 124 | F | 89.2 | Confident | 90.6 | Very high | 38 Ų | 38 | 65 Ų | 65 | 17% | 0.167 | 35% | 0.349 | C | S | . | . | trans | -97.1 | 134 | 178 | -53.1 | -40.9 | 0 | 0 | 0 | 110.1 | K90 C91 F94 V117 C122 I129 | K90-F124 HydrophobicContact CB-CZ 3.77Å; C91-F124 HydrophobicContact CB-CD1 4.02Å; C91-F124 HydrophobicContact CB-CE1 3.73Å; C91-F124 HydrophobicContact CB-CE2 4.28Å; C91-F124 HydrophobicContact CB-CG 4.44Å; C91-F124 HydrophobicContact CB-CZ 3.88Å; F94-F124 HydrophobicContact CB-CE2 4.24Å; F94-F124 HydrophobicContact CD1-CD2 4.25Å; V117-F124 WeakPolarHBondContact CG1-O 3.32Å; C122-F124 HydrophobicContact CB-CD2 3.5Å; C122-F124 VanDerWaalsContact CB-CD2 3.5Å; C122-F124 HydrophobicContact CB-CE2 3.69Å; C122-F124 HydrophobicContact CB-CG 4.13Å; C122-F124 HydrophobicContact CB-CZ 4.46Å; C122-F124 PolarHBondContact O-N 3.31Å; F124-I129 HydrophobicContact CB-CD1 3.88Å; F124-I129 HydrophobicContact CB-CG1 4.33Å; F124-I129 HydrophobicContact CD2-CD1 3.99Å; F124-I129 HydrophobicContact CG-CD1 4.15Å | ||
| 125 | S | 90.9 | Very high | 91.1 | Very high | 51 Ų | 51 | 62 Ų | 62 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | trans | -74.1 | 148.3 | 166.6 | 68.7 | 0 | 0 | 0 | 0 | 110.8 | A127 E128 I129 | S125-A127 PolarHBondContact O-N 2.91Å; S125-A127 VanDerWaalsContact O-N 3.1Å; S125-E128 VanDerWaalsContact CB-OE2 3.27Å; S125-E128 WeakPolarHBondContact CB-OE2 3.36Å; S125-E128 PolarHBondContact N-OE2 2.66Å; S125-E128 PolarHBondContact O-N 3.43Å; S125-E128 WeakPolarHBondContact OG-CG 3.44Å; S125-E128 PolarHBondContact OG-N 3.14Å; S125-E128 VanDerWaalsContact OG-N 3.12Å; S125-E128 PolarHBondContact OG-OE2 2.76Å; S125-I129 PolarHBondContact O-N 3.2Å | ||
| 126 | T | 91.1 | Very high | 91.6 | Very high | 45 Ų | 45 | 60.6 Ų | 60.6 | 28% | 0.276 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.7 | -29 | 171.4 | -45.3 | 0 | 0 | 0 | 0 | 111.8 | V113 I129 L130 | V113-T126 HydrophobicContact CB-CG2 4.26Å; V113-T126 HydrophobicContact CG1-CG2 4.01Å; T126-I129 PolarHBondContact O-N 3.46Å; T126-L130 HydrophobicContact CG2-CD1 4.2Å; T126-L130 WeakPolarHBondContact O-CB 3.34Å; T126-L130 VanDerWaalsContact O-CG 3.3Å; T126-L130 WeakPolarHBondContact O-CG 3.17Å; T126-L130 PolarHBondContact O-N 3.28Å |
| 127 | A | 92.2 | Very high | 91.9 | Very high | 46 Ų | 46 | 61 Ų | 61 | 38% | 0.38 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72.3 | -27 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S125 R131 | S125-A127 PolarHBondContact O-N 2.91Å; S125-A127 VanDerWaalsContact O-N 3.1Å; A127-R131 WeakPolarHBondContact O-CB 3.44Å; A127-R131 WeakPolarHBondContact O-CD 3.26Å; A127-R131 WeakPolarHBondContact O-CG 3.35Å; A127-R131 PolarHBondContact O-N 3.49Å; A127-R131 PolarHBondContact O-NH1 3.03Å |
| 128 | E | 93.3 | Very high | 92.3 | Very high | 67 Ų | 67 | 65 Ų | 65 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -73.5 | -44.2 | 170.3 | -76 | 158.5 | 108.8 | 0 | 0 | 111.2 | S125 L130 R131 M132 | S125-E128 VanDerWaalsContact CB-OE2 3.27Å; S125-E128 WeakPolarHBondContact CB-OE2 3.36Å; S125-E128 PolarHBondContact N-OE2 2.66Å; S125-E128 PolarHBondContact O-N 3.43Å; S125-E128 WeakPolarHBondContact OG-CG 3.44Å; S125-E128 PolarHBondContact OG-N 3.14Å; S125-E128 VanDerWaalsContact OG-N 3.12Å; S125-E128 PolarHBondContact OG-OE2 2.76Å; E128-L130 PolarHBondContact O-N 2.86Å; E128-R131 PolarHBondContact O-N 3.3Å; E128-M132 WeakPolarHBondContact O-CB 3.49Å; E128-M132 PolarHBondContact O-N 3.03Å |
| 129 | I | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.7 | -48.7 | 176.1 | -54.7 | -52 | 0 | 0 | 0 | 110.7 | F94 T95 I98 V113 V117 F124 S125 T126 R131 M132 E133 | F94-I129 HydrophobicContact CD1-CD1 3.89Å; T95-I129 HydrophobicContact CG2-CG2 4.12Å; I98-I129 HydrophobicContact CD1-CG2 3.93Å; V113-I129 HydrophobicContact CG1-CB 4.15Å; V113-I129 HydrophobicContact CG1-CG2 3.75Å; V117-I129 HydrophobicContact CG2-CG1 3.92Å; F124-I129 HydrophobicContact CB-CD1 3.88Å; F124-I129 HydrophobicContact CB-CG1 4.33Å; F124-I129 HydrophobicContact CD2-CD1 3.99Å; F124-I129 HydrophobicContact CG-CD1 4.15Å; S125-I129 PolarHBondContact O-N 3.2Å; T126-I129 PolarHBondContact O-N 3.46Å; I129-R131 VanDerWaalsContact C-N 3.28Å; I129-R131 PolarHBondContact O-N 3.21Å; I129-M132 PolarHBondContact O-N 3.39Å; I129-M132 VanDerWaalsContact O-N 3.16Å; I129-E133 WeakPolarHBondContact O-CB 3.34Å; I129-E133 PolarHBondContact O-N 3.3Å |
| 130 | L | 94.4 | Very high | 92.9 | Very high | 71 Ų | 71 | 60.3 Ų | 60.3 | 37% | 0.372 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.1 | -23.3 | 178.8 | -69.4 | 172.1 | 0 | 0 | 0 | 114.1 | T126 E128 R134 | T126-L130 HydrophobicContact CG2-CD1 4.2Å; T126-L130 WeakPolarHBondContact O-CB 3.34Å; T126-L130 VanDerWaalsContact O-CG 3.3Å; T126-L130 WeakPolarHBondContact O-CG 3.17Å; T126-L130 PolarHBondContact O-N 3.28Å; E128-L130 PolarHBondContact O-N 2.86Å; L130-R134 WeakPolarHBondContact O-CG 3.47Å |
| 131 | R | 95.1 | Very high | 93.2 | Very high | 149 Ų | 149 | 64.3 Ų | 64.3 | 56% | 0.562 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -76.4 | -45.8 | 169.7 | -75.2 | 169.4 | -171.1 | 124.3 | -10.2 | 110.7 | A127 E128 I129 E133 R134 I135 | A127-R131 WeakPolarHBondContact O-CB 3.44Å; A127-R131 WeakPolarHBondContact O-CD 3.26Å; A127-R131 WeakPolarHBondContact O-CG 3.35Å; A127-R131 PolarHBondContact O-N 3.49Å; A127-R131 PolarHBondContact O-NH1 3.03Å; E128-R131 PolarHBondContact O-N 3.3Å; I129-R131 VanDerWaalsContact C-N 3.28Å; I129-R131 PolarHBondContact O-N 3.21Å; R131-E133 VanDerWaalsContact C-N 3.29Å; R131-E133 PolarHBondContact O-N 2.95Å; R131-R134 PolarHBondContact O-N 3.34Å; R131-I135 WeakPolarHBondContact O-CG1 3.17Å; R131-I135 PolarHBondContact O-N 3.18Å; R131-I135 VanDerWaalsContact O-N 3.15Å |
| 132 | M | 96.9 | Very high | 93.6 | Very high | 24 Ų | 24 | 70.5 Ų | 70.5 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 178.5 | -169.4 | 60.1 | 69.3 | 0 | 0 | 111.6 | I92 T95 E128 I129 R134 I135 I136 | I92-M132 HydrophobicContact CG1-CE 3.7Å; I92-M132 HydrophobicContact CG1-CG 4.44Å; I92-M132 HydrophobicContact CG1-SD 3.62Å; T95-M132 HydrophobicContact CG2-CB 4.03Å; T95-M132 HydrophobicContact CG2-CG 4.08Å; E128-M132 WeakPolarHBondContact O-CB 3.49Å; E128-M132 PolarHBondContact O-N 3.03Å; I129-M132 PolarHBondContact O-N 3.39Å; I129-M132 VanDerWaalsContact O-N 3.16Å; M132-R134 VanDerWaalsContact C-N 3.34Å; M132-R134 PolarHBondContact O-N 2.9Å; M132-I135 PolarHBondContact O-N 3.19Å; M132-I135 VanDerWaalsContact O-N 3.12Å; M132-I136 HydrophobicContact CG-CD1 4.01Å; M132-I136 HydrophobicContact CG-CG1 4.43Å; M132-I136 WeakPolarHBondContact O-CG1 3.15Å; M132-I136 PolarHBondContact O-N 2.89Å |
| 133 | E | 96.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 71.6 Ų | 71.6 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58 | -47.6 | 178.3 | -169.9 | 178.7 | 143.7 | 0 | 0 | 110.8 | T95 L99 K102 I129 R131 I135 I136 L137 | T95-E133 HydrophobicContact CG2-CB 3.89Å; L99-E133 HydrophobicContact CD1-CG 4.16Å; L99-E133 HydrophobicContact CD2-CG 3.61Å; L99-E133 HydrophobicContact CG-CG 3.9Å; K102-E133 IonicContact NZ-OE1 3.98Å; K102-E133 PolarHBondContact NZ-OE1 2.98Å; K102-E133 IonicContact NZ-OE2 3.24Å; K102-E133 PolarHBondContact NZ-OE2 3.3Å; I129-E133 WeakPolarHBondContact O-CB 3.34Å; I129-E133 PolarHBondContact O-N 3.3Å; R131-E133 VanDerWaalsContact C-N 3.29Å; R131-E133 PolarHBondContact O-N 2.95Å; E133-I135 PolarHBondContact O-N 3.09Å; E133-I136 PolarHBondContact O-N 3.26Å; E133-L137 HydrophobicContact CG-CD1 4.14Å; E133-L137 WeakPolarHBondContact O-CG 3.43Å; E133-L137 PolarHBondContact O-N 3.49Å |
| 134 | R | 96.1 | Very high | 94.1 | Very high | 176 Ų | 176 | 64.1 Ų | 64.1 | 66% | 0.664 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64 | -39.4 | 176 | -63.4 | 170.8 | -169.2 | 173.7 | 3 | 112.2 | L130 R131 M132 D138 | L130-R134 WeakPolarHBondContact O-CG 3.47Å; R131-R134 PolarHBondContact O-N 3.34Å; M132-R134 VanDerWaalsContact C-N 3.34Å; M132-R134 PolarHBondContact O-N 2.9Å; R134-D138 WeakPolarHBondContact O-CB 3.29Å; R134-D138 PolarHBondContact O-N 2.73Å |
| 135 | I | 96 | Very high | 94.1 | Very high | 80 Ų | 80 | 67.4 Ų | 67.4 | 41% | 0.41 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 177.6 | -67.6 | 165.1 | 0 | 0 | 0 | 110.7 | R131 M132 E133 K139 | R131-I135 WeakPolarHBondContact O-CG1 3.17Å; R131-I135 PolarHBondContact O-N 3.18Å; R131-I135 VanDerWaalsContact O-N 3.15Å; M132-I135 PolarHBondContact O-N 3.19Å; M132-I135 VanDerWaalsContact O-N 3.12Å; E133-I135 PolarHBondContact O-N 3.09Å; I135-K139 HydrophobicContact CG2-CG 4.38Å; I135-K139 VanDerWaalsContact O-CB 3.24Å; I135-K139 WeakPolarHBondContact O-CB 3.33Å; I135-K139 VanDerWaalsContact O-CG 3.22Å; I135-K139 WeakPolarHBondContact O-CG 3.34Å; I135-K139 PolarHBondContact O-N 3.31Å |
| 136 | I | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.3 | -48.6 | 177.8 | -66 | 168.5 | 0 | 0 | 0 | 110.6 | V74 L78 T95 L99 M132 E133 D138 K139 L140 L144 | V74-I136 HydrophobicContact CG1-CG2 3.8Å; L78-I136 HydrophobicContact CD1-CB 4.36Å; L78-I136 HydrophobicContact CD1-CG1 4.11Å; L78-I136 HydrophobicContact CD1-CG2 4.41Å; L78-I136 HydrophobicContact CD2-CG1 3.79Å; T95-I136 HydrophobicContact CG2-CD1 3.87Å; L99-I136 HydrophobicContact CD1-CB 3.7Å; L99-I136 HydrophobicContact CD1-CD1 4.04Å; L99-I136 HydrophobicContact CD1-CG1 4.47Å; L99-I136 HydrophobicContact CD1-CG2 3.48Å; L99-I136 VanDerWaalsContact CD1-CG2 3.48Å; M132-I136 HydrophobicContact CG-CD1 4.01Å; M132-I136 HydrophobicContact CG-CG1 4.43Å; M132-I136 WeakPolarHBondContact O-CG1 3.15Å; M132-I136 PolarHBondContact O-N 2.89Å; E133-I136 PolarHBondContact O-N 3.26Å; I136-D138 PolarHBondContact O-N 3.05Å; I136-K139 PolarHBondContact O-N 3.15Å; I136-L140 HydrophobicContact CG2-CD1 3.89Å; I136-L140 WeakPolarHBondContact O-CB 3.5Å; I136-L140 WeakPolarHBondContact O-CG 3.41Å; I136-L140 PolarHBondContact O-N 3.14Å; I136-L144 HydrophobicContact CG2-CD2 4.22Å |
| 137 | L | 96.5 | Very high | 94.2 | Very high | 17 Ų | 17 | 63.4 Ų | 63.4 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 179.4 | -71.4 | 166.9 | 0 | 0 | 0 | 112.3 | L99 E133 S141 W142 L144 | L99-L137 HydrophobicContact CD1-CG 4.45Å; L99-L137 HydrophobicContact CD2-CD1 4.16Å; L99-L137 HydrophobicContact CD2-CD2 4.07Å; L99-L137 HydrophobicContact CD2-CG 4.1Å; E133-L137 HydrophobicContact CG-CD1 4.14Å; E133-L137 WeakPolarHBondContact O-CG 3.43Å; E133-L137 PolarHBondContact O-N 3.49Å; L137-S141 PolarHBondContact O-N 3.19Å; L137-S141 VanDerWaalsContact O-N 3.07Å; L137-W142 HydrophobicContact CB-CD2 4.08Å; L137-W142 HydrophobicContact CB-CE3 4.42Å; L137-W142 HydrophobicContact CB-CG 4.46Å; L137-W142 HydrophobicContact CB-CZ2 4.3Å; L137-W142 HydrophobicContact CD1-CE3 4.22Å; L137-W142 HydrophobicContact CD1-CH2 3.97Å; L137-W142 HydrophobicContact CD1-CZ2 4.42Å; L137-W142 HydrophobicContact CD1-CZ3 3.86Å; L137-W142 HydrophobicContact CD2-CD2 4.1Å; L137-W142 HydrophobicContact CD2-CE3 3.8Å; L137-W142 HydrophobicContact CD2-CZ3 4.27Å; L137-W142 HydrophobicContact CG-CE3 4.38Å; L137-W142 PolarHBondContact O-N 2.6Å; L137-L144 HydrophobicContact CD2-CD1 3.67Å; L137-L144 HydrophobicContact CD2-CG 4.19Å |
| 138 | D | 96.4 | Very high | 94.3 | Very high | 97 Ų | 97 | 61.4 Ų | 61.4 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.4 | -48.4 | 175.5 | 172.8 | 73.8 | 0 | 0 | 0 | 112 | R134 I136 L140 S141 | R134-D138 WeakPolarHBondContact O-CB 3.29Å; R134-D138 PolarHBondContact O-N 2.73Å; I136-D138 PolarHBondContact O-N 3.05Å; D138-L140 VanDerWaalsContact C-N 3.34Å; D138-L140 PolarHBondContact O-N 3.26Å; D138-S141 PolarHBondContact O-N 3.18Å |
| 139 | K | 95.2 | Very high | 94.4 | Very high | 101 Ų | 101 | 58.6 Ų | 58.6 | 44% | 0.439 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -77.2 | -16 | -175.6 | -66.5 | -76.1 | 168.9 | -83 | 0 | 114.5 | L78 V82 I135 I136 | L78-K139 HydrophobicContact CD1-CB 3.91Å; V82-K139 HydrophobicContact CG1-CB 4.07Å; V82-K139 HydrophobicContact CG1-CD 3.86Å; V82-K139 HydrophobicContact CG1-CG 3.88Å; I135-K139 HydrophobicContact CG2-CG 4.38Å; I135-K139 VanDerWaalsContact O-CB 3.24Å; I135-K139 WeakPolarHBondContact O-CB 3.33Å; I135-K139 VanDerWaalsContact O-CG 3.22Å; I135-K139 WeakPolarHBondContact O-CG 3.34Å; I135-K139 PolarHBondContact O-N 3.31Å; I136-K139 PolarHBondContact O-N 3.15Å |
| 140 | L | 94.5 | Very high | 94.3 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 11.8 | 170.9 | -59.5 | -178.9 | 0 | 0 | 0 | 112.7 | V74 R77 L78 I136 D138 W142 D143 L144 | V74-L140 HydrophobicContact CG1-CD1 3.91Å; R77-L140 HydrophobicContact CB-CD2 4.03Å; L78-L140 HydrophobicContact CD1-CG 4.2Å; I136-L140 HydrophobicContact CG2-CD1 3.89Å; I136-L140 WeakPolarHBondContact O-CB 3.5Å; I136-L140 WeakPolarHBondContact O-CG 3.41Å; I136-L140 PolarHBondContact O-N 3.14Å; D138-L140 VanDerWaalsContact C-N 3.34Å; D138-L140 PolarHBondContact O-N 3.26Å; L140-W142 PolarHBondContact O-N 3.13Å; L140-W142 VanDerWaalsContact O-N 3.13Å; L140-D143 PolarHBondContact O-N 3.25Å; L140-D143 VanDerWaalsContact O-N 3.09Å; L140-L144 HydrophobicContact CB-CD2 4.07Å; L140-L144 HydrophobicContact CD1-CD2 3.66Å; L140-L144 HydrophobicContact CG-CD2 4.49Å |
| 141 | S | 93.2 | Very high | 94.3 | Very high | 97 Ų | 97 | 56.9 Ų | 56.9 | 68% | 0.678 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 38.4 | 179.7 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | L137 D138 D143 | L137-S141 PolarHBondContact O-N 3.19Å; L137-S141 VanDerWaalsContact O-N 3.07Å; D138-S141 PolarHBondContact O-N 3.18Å; S141-D143 PolarHBondContact O-N 3.21Å |
| 142 | W | 93.7 | Very high | 94.3 | Very high | 192 Ų | 192 | 49.8 Ų | 49.8 | 73% | 0.727 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | -4.1 | -176.3 | -58.2 | 70.3 | 0 | 0 | 0 | 116.3 | L137 L140 L144 | L137-W142 HydrophobicContact CB-CD2 4.08Å; L137-W142 HydrophobicContact CB-CE3 4.42Å; L137-W142 HydrophobicContact CB-CG 4.46Å; L137-W142 HydrophobicContact CB-CZ2 4.3Å; L137-W142 HydrophobicContact CD1-CE3 4.22Å; L137-W142 HydrophobicContact CD1-CH2 3.97Å; L137-W142 HydrophobicContact CD1-CZ2 4.42Å; L137-W142 HydrophobicContact CD1-CZ3 3.86Å; L137-W142 HydrophobicContact CD2-CD2 4.1Å; L137-W142 HydrophobicContact CD2-CE3 3.8Å; L137-W142 HydrophobicContact CD2-CZ3 4.27Å; L137-W142 HydrophobicContact CG-CE3 4.38Å; L137-W142 PolarHBondContact O-N 2.6Å; L140-W142 PolarHBondContact O-N 3.13Å; L140-W142 VanDerWaalsContact O-N 3.13Å; W142-L144 VanDerWaalsContact C-N 3.31Å; W142-L144 PolarHBondContact O-N 3.35Å |
| 143 | D | 92.8 | Very high | 94 | Very high | 48 Ų | 48 | 48.6 Ų | 48.6 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | trans | -82.4 | 73.9 | 178.4 | -162.8 | -5 | 0 | 0 | 0 | 110.5 | R25 L26 R77 L140 S141 | R25-D143 IonicContact CZ-OD2 3.86Å; R25-D143 VanDerWaalsContact CZ-OD2 3.28Å; R25-D143 IonicContact NE-OD2 2.63Å; R25-D143 PolarHBondContact NE-OD2 3.25Å; R25-D143 VanDerWaalsContact NH2-CG 3.34Å; R25-D143 IonicContact NH2-OD1 2.9Å; R25-D143 PolarHBondContact NH2-OD1 3.2Å; R25-D143 VanDerWaalsContact NH2-OD1 3.11Å; R25-D143 IonicContact NH2-OD2 3.01Å; R25-D143 PolarHBondContact NH2-OD2 3.19Å; L26-D143 WeakPolarHBondContact CD1-OD1 3.41Å; L26-D143 HydrophobicContact CD2-CB 4.3Å; L26-D143 VanDerWaalsContact CD2-OD2 3.31Å; L26-D143 WeakPolarHBondContact CD2-OD2 3.26Å; R77-D143 VanDerWaalsContact CZ-O 3.27Å; R77-D143 PolarHBondContact NH1-O 3.28Å; R77-D143 PolarHBondContact NH2-O 3.23Å; L140-D143 PolarHBondContact O-N 3.25Å; L140-D143 VanDerWaalsContact O-N 3.09Å; S141-D143 PolarHBondContact O-N 3.21Å | ||
| 144 | L | 90.9 | Very high | 93.8 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | trans | -80.2 | -32.6 | -179.7 | -63 | -175.2 | 0 | 0 | 0 | 113 | V74 R77 L99 I103 I136 L137 L140 W142 T146 | V74-L144 HydrophobicContact CG1-CD2 4.17Å; V74-L144 HydrophobicContact CG2-CB 4.37Å; V74-L144 HydrophobicContact CG2-CD2 4.21Å; R77-L144 PolarHBondContact NH1-O 3.27Å; L99-L144 HydrophobicContact CB-CD1 4.09Å; L99-L144 HydrophobicContact CD1-CD1 4.26Å; L99-L144 HydrophobicContact CD2-CD1 3.98Å; L99-L144 HydrophobicContact CG-CD1 4.35Å; I103-L144 HydrophobicContact CD1-CB 3.73Å; I103-L144 HydrophobicContact CD1-CD1 3.95Å; I103-L144 HydrophobicContact CD1-CG 4.5Å; I136-L144 HydrophobicContact CG2-CD2 4.22Å; L137-L144 HydrophobicContact CD2-CD1 3.67Å; L137-L144 HydrophobicContact CD2-CG 4.19Å; L140-L144 HydrophobicContact CB-CD2 4.07Å; L140-L144 HydrophobicContact CD1-CD2 3.66Å; L140-L144 HydrophobicContact CG-CD2 4.49Å; W142-L144 VanDerWaalsContact C-N 3.31Å; W142-L144 PolarHBondContact O-N 3.35Å; L144-T146 VanDerWaalsContact C-N 3.33Å; L144-T146 PolarHBondContact O-N 3.5Å | ||
| 145 | Y | 89.6 | Confident | 93.6 | Very high | 107 Ų | 107 | 43.1 Ų | 43.1 | 42% | 0.42 | 21% | 0.21 | S | C | . | . | trans | -76 | 76.3 | -170.3 | -170.5 | -106.4 | 0 | 0 | 0 | 113.1 | I103 | I103-Y145 HydrophobicContact CG2-CD2 4.05Š| ||
| 146 | T | 91.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | trans | -84.4 | 150.5 | 169 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | L70 C73 L144 | L70-T146 HydrophobicContact CD1-CG2 4.08Å; C73-T146 HydrophobicContact CB-CG2 3.66Å; L144-T146 VanDerWaalsContact C-N 3.33Å; L144-T146 PolarHBondContact O-N 3.5Å | ||
| 147 | A | 93 | Very high | 92.9 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | trans | -63.3 | 140.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | A19 R22 E23 F152 | A19-A147 HydrophobicContact CB-CB 4.18Å; A19-A147 VanDerWaalsContact O-CB 3.28Å; A19-A147 WeakPolarHBondContact O-CB 3.39Å; R22-A147 HydrophobicContact CB-CB 4.1Å; E23-A147 HydrophobicContact CB-CB 4.43Å; A147-F152 HydrophobicContact CB-CE2 3.84Å; A147-F152 HydrophobicContact CB-CZ 3.96Å | ||
| 148 | T | 94.4 | Very high | 92.5 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | trans | -111.2 | 161.3 | -179.6 | 71.8 | 0 | 0 | 0 | 0 | 110.6 | A69 L70 I150 D151 F152 | A69-T148 HydrophobicContact CB-CG2 4.18Å; L70-T148 HydrophobicContact CB-CG2 4.18Å; L70-T148 HydrophobicContact CD1-CG2 4.41Å; T148-I150 PolarHBondContact O-N 3.17Å; T148-I150 PolarHBondContact OG1-N 2.94Å; T148-D151 WeakPolarHBondContact CA-OD2 3.46Å; T148-D151 WeakPolarHBondContact CB-OD2 3.42Å; T148-D151 PolarHBondContact N-OD2 3.02Å; T148-D151 PolarHBondContact O-N 3.13Å; T148-D151 VanDerWaalsContact OG1-CG 3.26Å; T148-D151 PolarHBondContact OG1-N 3.41Å; T148-D151 PolarHBondContact OG1-OD2 2.94Å; T148-F152 WeakPolarHBondContact O-CD2 3.37Å; T148-F152 PolarHBondContact O-N 3.12Å | ||
| 149 | P | 93.4 | Very high | 92.1 | Very high | 9 Ų | 9 | 37 Ų | 37 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -23.6 | 173.9 | -19 | 31.3 | 0 | 0 | 0 | 113.2 | I153 V189 M193 L206 A207 | P149-I153 PolarHBondContact O-N 2.93Å; P149-I153 VanDerWaalsContact O-N 3.1Å; P149-V189 HydrophobicContact CB-CG1 3.83Å; P149-V189 HydrophobicContact CB-CG2 4.05Å; P149-M193 HydrophobicContact CB-SD 4.38Å; P149-M193 HydrophobicContact CG-CE 4.07Å; P149-M193 HydrophobicContact CG-CG 4.14Å; P149-M193 HydrophobicContact CG-SD 3.8Å; P149-L206 HydrophobicContact CB-CD2 4.45Å; P149-L206 HydrophobicContact CG-CD2 4.48Å; P149-A207 WeakPolarHBondContact O-CB 2.98Å |
| 150 | I | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -74.2 | -40.9 | 177.3 | -61.1 | -175 | 0 | 0 | 0 | 111.2 | Q65 E66 A69 T148 F152 I153 H154 T186 V189 Q190 | Q65-I150 HydrophobicContact CB-CD1 4.06Å; Q65-I150 WeakPolarHBondContact O-CD1 3.37Å; E66-I150 HydrophobicContact CG-CG2 4.06Å; A69-I150 HydrophobicContact CB-CB 4.38Å; A69-I150 HydrophobicContact CB-CD1 3.45Å; A69-I150 VanDerWaalsContact CB-CD1 3.45Å; A69-I150 HydrophobicContact CB-CG1 3.78Å; T148-I150 PolarHBondContact O-N 3.17Å; T148-I150 PolarHBondContact OG1-N 2.94Å; I150-F152 PolarHBondContact O-N 3.36Å; I150-I153 WeakPolarHBondContact O-CB 3.21Å; I150-I153 PolarHBondContact O-N 3.03Å; I150-I153 VanDerWaalsContact O-N 3.11Å; I150-H154 VanDerWaalsContact CG2-CE1 3.45Å; I150-H154 WeakPolarHBondContact CG2-CE1 3.49Å; I150-H154 PolarHBondContact O-N 3.17Å; I150-T186 HydrophobicContact CB-CG2 4.31Å; I150-T186 HydrophobicContact CD1-CG2 3.52Å; I150-T186 HydrophobicContact CG1-CG2 3.77Å; I150-T186 HydrophobicContact CG2-CG2 3.68Å; I150-V189 HydrophobicContact CD1-CG1 4.43Å; I150-V189 HydrophobicContact CG1-CG1 3.64Å; I150-Q190 HydrophobicContact CD1-CG 4.3Å |
| 151 | D | 93.7 | Very high | 91 | Very high | 34 Ų | 34 | 35.5 Ų | 35.5 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.3 | -44.1 | 173.1 | -59.7 | -60.6 | 0 | 0 | 0 | 110.6 | T148 H154 I155 | T148-D151 WeakPolarHBondContact CA-OD2 3.46Å; T148-D151 WeakPolarHBondContact CB-OD2 3.42Å; T148-D151 PolarHBondContact N-OD2 3.02Å; T148-D151 PolarHBondContact O-N 3.13Å; T148-D151 VanDerWaalsContact OG1-CG 3.26Å; T148-D151 PolarHBondContact OG1-N 3.41Å; T148-D151 PolarHBondContact OG1-OD2 2.94Å; D151-H154 PolarHBondContact O-N 2.86Å; D151-I155 WeakPolarHBondContact O-CB 3.39Å; D151-I155 WeakPolarHBondContact O-CD1 3.32Å; D151-I155 VanDerWaalsContact O-CG1 3.24Å; D151-I155 WeakPolarHBondContact O-CG1 2.8Å; D151-I155 PolarHBondContact O-N 2.88Å |
| 152 | F | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.2 | -38 | 176.9 | -69.5 | -65.7 | 0 | 0 | 0 | 112.7 | L16 A19 L20 E23 A147 T148 I150 H154 I155 F156 G203 S204 A207 | L16-F152 HydrophobicContact CD1-CD1 3.84Å; L16-F152 HydrophobicContact CD1-CE1 3.96Å; A19-F152 HydrophobicContact CB-CD1 4.37Å; A19-F152 HydrophobicContact CB-CE1 3.63Å; A19-F152 HydrophobicContact CB-CZ 3.95Å; L20-F152 HydrophobicContact CD2-CE1 3.85Å; L20-F152 HydrophobicContact CD2-CZ 4.12Å; L20-F152 HydrophobicContact CG-CE1 4.08Å; E23-F152 HydrophobicContact CB-CE2 4.31Å; E23-F152 HydrophobicContact CB-CZ 4.08Å; E23-F152 WeakPolarHBondContact OE1-CE2 3.45Å; A147-F152 HydrophobicContact CB-CE2 3.84Å; A147-F152 HydrophobicContact CB-CZ 3.96Å; T148-F152 WeakPolarHBondContact O-CD2 3.37Å; T148-F152 PolarHBondContact O-N 3.12Å; I150-F152 PolarHBondContact O-N 3.36Å; F152-H154 PolarHBondContact O-N 3.15Å; F152-I155 PolarHBondContact O-N 3.5Å; F152-F156 HydrophobicContact CB-CD2 4.24Å; F152-F156 HydrophobicContact CB-CE2 3.95Å; F152-F156 HydrophobicContact CD1-CZ 4.45Å; F152-F156 VanDerWaalsContact O-CB 3.3Å; F152-F156 WeakPolarHBondContact O-CB 3.39Å; F152-F156 WeakPolarHBondContact O-CD2 3.42Å; F152-F156 WeakPolarHBondContact O-CG 3.45Å; F152-F156 PolarHBondContact O-N 3.48Å; F152-G203 VanDerWaalsContact CD2-C 3.48Å; F152-S204 VanDerWaalsContact CD2-N 3.29Å; F152-A207 HydrophobicContact CB-CB 3.61Å |
| 153 | I | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.3 | -50.2 | 170.3 | -72.1 | 168.4 | 0 | 0 | 0 | 110.6 | P149 I150 I155 F156 H157 W185 V189 A207 I211 | P149-I153 PolarHBondContact O-N 2.93Å; P149-I153 VanDerWaalsContact O-N 3.1Å; I150-I153 WeakPolarHBondContact O-CB 3.21Å; I150-I153 PolarHBondContact O-N 3.03Å; I150-I153 VanDerWaalsContact O-N 3.11Å; I153-I155 PolarHBondContact O-N 2.9Å; I153-F156 PolarHBondContact O-N 3.49Å; I153-H157 WeakPolarHBondContact O-CB 3.3Å; I153-H157 PolarHBondContact O-N 3.24Å; I153-W185 HydrophobicContact CD1-CB 4.1Å; I153-W185 WeakPolarHBondContact CD1-O 3.47Å; I153-W185 HydrophobicContact CG1-CB 4.49Å; I153-W185 HydrophobicContact CG2-CB 3.91Å; I153-W185 HydrophobicContact CG2-CE3 4.14Å; I153-V189 HydrophobicContact CD1-CB 3.62Å; I153-V189 HydrophobicContact CD1-CG1 4.26Å; I153-V189 HydrophobicContact CD1-CG2 3.38Å; I153-V189 HydrophobicContact CG1-CG2 4.25Å; I153-A207 HydrophobicContact CG1-CB 3.91Å; I153-I211 HydrophobicContact CG1-CD1 4.47Å |
| 154 | H | 91.4 | Very high | 88.3 | Confident | 69 Ų | 69 | 26.6 Ų | 26.6 | 32% | 0.319 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -65.8 | -39.4 | -175.9 | -65 | 160.7 | 0 | 0 | 0 | 112.1 | E66 I150 D151 F152 A158 | E66-H154 IonicContact OE1-CE1 2.75Å; E66-H154 PolarHBondContact OE1-CE1 3.4Å; E66-H154 IonicContact OE1-ND1 2.93Å; I150-H154 VanDerWaalsContact CG2-CE1 3.45Å; I150-H154 WeakPolarHBondContact CG2-CE1 3.49Å; I150-H154 PolarHBondContact O-N 3.17Å; D151-H154 PolarHBondContact O-N 2.86Å; F152-H154 PolarHBondContact O-N 3.15Å; H154-A158 WeakPolarHBondContact O-CB 3.47Å; H154-A158 PolarHBondContact O-N 3.46Å |
| 155 | I | 91.8 | Very high | 86.9 | Confident | 22 Ų | 22 | 30 Ų | 30 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.8 | -47.8 | 174.6 | -67.5 | 164.5 | 0 | 0 | 0 | 111.4 | L16 A19 D151 F152 I153 A158 L159 | L16-I155 HydrophobicContact CB-CG2 3.77Å; L16-I155 HydrophobicContact CD1-CG2 3.95Å; L16-I155 HydrophobicContact CG-CG2 4.36Å; A19-I155 HydrophobicContact CB-CD1 3.82Å; D151-I155 WeakPolarHBondContact O-CB 3.39Å; D151-I155 WeakPolarHBondContact O-CD1 3.32Å; D151-I155 VanDerWaalsContact O-CG1 3.24Å; D151-I155 WeakPolarHBondContact O-CG1 2.8Å; D151-I155 PolarHBondContact O-N 2.88Å; F152-I155 PolarHBondContact O-N 3.5Å; I153-I155 PolarHBondContact O-N 2.9Å; I155-A158 PolarHBondContact O-N 3.11Å; I155-L159 HydrophobicContact CG2-CD1 4.02Å; I155-L159 WeakPolarHBondContact O-CG 3.49Å; I155-L159 PolarHBondContact O-N 3.36Å |
| 156 | F | 90.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.6 | -40.4 | 178.6 | -66.6 | -39.5 | 0 | 0 | 0 | 112.1 | L16 F152 I153 A158 L159 L160 A207 L208 I211 L229 A233 | L16-F156 HydrophobicContact CD1-CD1 4.41Å; L16-F156 HydrophobicContact CD1-CE1 3.65Å; L16-F156 HydrophobicContact CD1-CZ 4.05Å; L16-F156 HydrophobicContact CD2-CE1 3.93Å; L16-F156 HydrophobicContact CG-CE1 4.48Å; F152-F156 HydrophobicContact CB-CD2 4.24Å; F152-F156 HydrophobicContact CB-CE2 3.95Å; F152-F156 HydrophobicContact CD1-CZ 4.45Å; F152-F156 VanDerWaalsContact O-CB 3.3Å; F152-F156 WeakPolarHBondContact O-CB 3.39Å; F152-F156 WeakPolarHBondContact O-CD2 3.42Å; F152-F156 WeakPolarHBondContact O-CG 3.45Å; F152-F156 PolarHBondContact O-N 3.48Å; I153-F156 PolarHBondContact O-N 3.49Å; F156-A158 VanDerWaalsContact C-N 3.35Å; F156-A158 PolarHBondContact O-N 3.1Å; F156-L159 HydrophobicContact CD1-CD1 4.3Å; F156-L159 PolarHBondContact O-N 3.18Å; F156-L160 WeakPolarHBondContact O-CB 3.39Å; F156-L160 VanDerWaalsContact O-CG 3.24Å; F156-L160 WeakPolarHBondContact O-CG 3.21Å; F156-L160 PolarHBondContact O-N 2.97Å; F156-A207 HydrophobicContact CD2-CB 4.15Å; F156-A207 HydrophobicContact CE2-CB 4.13Å; F156-L208 HydrophobicContact CD2-CB 4.49Å; F156-L208 HydrophobicContact CE2-CB 3.94Å; F156-L208 HydrophobicContact CZ-CB 4.42Å; F156-I211 HydrophobicContact CB-CD1 3.55Å; F156-I211 HydrophobicContact CD2-CD1 4.13Å; F156-I211 HydrophobicContact CG-CD1 4.34Å; F156-L229 HydrophobicContact CD1-CD2 4.1Å; F156-A233 HydrophobicContact CE1-CB 4.09Å; F156-A233 HydrophobicContact CZ-CB 3.89Å |
| 157 | H | 87.8 | Confident | 83.6 | Confident | 28 Ų | 28 | 33.4 Ų | 33.4 | 13% | 0.13 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 174.3 | 179.4 | -113.9 | 0 | 0 | 0 | 112.1 | I153 L160 I161 P178 W185 | I153-H157 WeakPolarHBondContact O-CB 3.3Å; I153-H157 PolarHBondContact O-N 3.24Å; H157-L160 PolarHBondContact O-N 2.99Å; H157-I161 VanDerWaalsContact CE1-CD1 3.49Å; H157-I161 WeakPolarHBondContact CE1-CD1 3.33Å; H157-I161 WeakPolarHBondContact O-CG1 3.05Å; H157-I161 PolarHBondContact O-N 3.09Å; H157-I161 VanDerWaalsContact O-N 3.13Å; H157-P178 PolarHBondContact NE2-O 3.25Å; H157-W185 HydrophobicContact CB-CE3 4.34Å; H157-W185 HydrophobicContact CB-CZ3 3.92Å; H157-W185 AromaticContact CD2-CZ3 3.6Å |
| 158 | A | 88.3 | Confident | 81.6 | Confident | 28 Ų | 28 | 35.9 Ų | 35.9 | 23% | 0.231 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.3 | -45.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L12 H154 I155 F156 L160 I161 S162 | L12-A158 HydrophobicContact CD1-CB 3.9Å; L12-A158 HydrophobicContact CD2-CB 3.66Å; L12-A158 HydrophobicContact CG-CB 4.44Å; H154-A158 WeakPolarHBondContact O-CB 3.47Å; H154-A158 PolarHBondContact O-N 3.46Å; I155-A158 PolarHBondContact O-N 3.11Å; F156-A158 VanDerWaalsContact C-N 3.35Å; F156-A158 PolarHBondContact O-N 3.1Å; A158-L160 VanDerWaalsContact C-N 3.3Å; A158-L160 PolarHBondContact O-N 3.33Å; A158-I161 PolarHBondContact O-N 3.12Å; A158-S162 WeakPolarHBondContact O-CB 3.42Å; A158-S162 PolarHBondContact O-N 3.35Å; A158-S162 PolarHBondContact O-OG 3.16Å |
| 159 | L | 87.7 | Confident | 79.3 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -39.3 | 175.5 | -76.7 | 167.4 | 0 | 0 | 0 | 112.3 | L12 V13 L16 I155 F156 G163 L229 | L12-L159 HydrophobicContact CB-CD2 3.52Å; L12-L159 HydrophobicContact CB-CG 3.96Å; L12-L159 HydrophobicContact CD1-CD2 4.34Å; V13-L159 HydrophobicContact CG2-CD2 4.12Å; L16-L159 HydrophobicContact CD2-CD1 4.06Å; I155-L159 HydrophobicContact CG2-CD1 4.02Å; I155-L159 WeakPolarHBondContact O-CG 3.49Å; I155-L159 PolarHBondContact O-N 3.36Å; F156-L159 HydrophobicContact CD1-CD1 4.3Å; F156-L159 PolarHBondContact O-N 3.18Å; L159-G163 WeakPolarHBondContact O-CA 3.41Å; L159-G163 PolarHBondContact O-N 3.05Å; L159-L229 HydrophobicContact CB-CD2 4.07Å; L159-L229 HydrophobicContact CD1-CD2 4.27Å |
| 160 | L | 84.4 | Confident | 76.9 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 7% | 0.073 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.6 | -50.2 | 175.3 | -75.2 | 170.4 | 0 | 0 | 0 | 112.1 | F156 H157 A158 G163 H164 W185 I211 L215 V225 L229 | F156-L160 WeakPolarHBondContact O-CB 3.39Å; F156-L160 VanDerWaalsContact O-CG 3.24Å; F156-L160 WeakPolarHBondContact O-CG 3.21Å; F156-L160 PolarHBondContact O-N 2.97Å; H157-L160 PolarHBondContact O-N 2.99Å; A158-L160 VanDerWaalsContact C-N 3.3Å; A158-L160 PolarHBondContact O-N 3.33Å; L160-G163 PolarHBondContact O-N 3.5Å; L160-H164 PolarHBondContact O-N 2.86Å; L160-W185 HydrophobicContact CD1-CH2 3.67Å; L160-W185 HydrophobicContact CD1-CZ3 4.08Å; L160-I211 HydrophobicContact CD1-CG2 3.81Å; L160-L215 HydrophobicContact CD1-CD1 4.32Å; L160-L215 HydrophobicContact CD2-CD1 4.03Å; L160-L215 HydrophobicContact CD2-CD2 4.44Å; L160-V225 HydrophobicContact CD2-CG1 3.14Å; L160-L229 HydrophobicContact CD2-CD1 3.89Å; L160-L229 HydrophobicContact CG-CD1 4.13Å |
| 161 | I | 82.5 | Confident | 74.4 | Confident | 65 Ų | 65 | 44 Ų | 44 | 33% | 0.333 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.2 | -45.2 | -179.5 | -68.7 | 172 | 0 | 0 | 0 | 111 | H157 A158 P178 | H157-I161 VanDerWaalsContact CE1-CD1 3.49Å; H157-I161 WeakPolarHBondContact CE1-CD1 3.33Å; H157-I161 WeakPolarHBondContact O-CG1 3.05Å; H157-I161 PolarHBondContact O-N 3.09Å; H157-I161 VanDerWaalsContact O-N 3.13Å; A158-I161 PolarHBondContact O-N 3.12Å; I161-P178 HydrophobicContact CD1-CB 4.33Å |
| 162 | S | 80.3 | Confident | 71.8 | Confident | 49 Ų | 49 | 46 Ų | 46 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -72 | -28.5 | 179.5 | -65.3 | 0 | 0 | 0 | 0 | 113.7 | A158 | A158-S162 WeakPolarHBondContact O-CB 3.42Å; A158-S162 PolarHBondContact O-N 3.35Å; A158-S162 PolarHBondContact O-OG 3.16Å |
| 163 | G | 72.8 | Confident | 69.3 | Low | 36 Ų | 36 | 54.9 Ų | 54.9 | 37% | 0.371 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -82.7 | -38.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L159 L160 | L159-G163 WeakPolarHBondContact O-CA 3.41Å; L159-G163 PolarHBondContact O-N 3.05Å; L160-G163 PolarHBondContact O-N 3.5Å |
| 164 | H | 69.6 | Low | 66.8 | Low | 65 Ų | 65 | 58.7 Ų | 58.7 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | trans | -134.4 | 70.2 | -171.9 | -58.7 | -80 | 0 | 0 | 0 | 112.6 | L160 H166 L167 | L160-H164 PolarHBondContact O-N 2.86Å; H164-H166 PolarHBondContact O-N 3.44Å; H164-L167 HydrophobicContact CB-CB 4.42Å; H164-L167 HydrophobicContact CB-CD1 3.72Å; H164-L167 HydrophobicContact CB-CG 3.79Å; H164-L167 WeakPolarHBondContact O-CB 3.27Å; H164-L167 PolarHBondContact O-N 3.26Å | ||
| 165 | P | 62.5 | Low | 64.4 | Low | 80 Ų | 80 | 65 Ų | 65 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.5 | 179.8 | 23.9 | -35.1 | 0 | 0 | 0 | 113.9 | S168 | P165-S168 WeakPolarHBondContact O-CB 3.2Å; P165-S168 PolarHBondContact O-N 3.01Å |
| 166 | H | 56.7 | Low | 62.3 | Low | 146 Ų | 146 | 70 Ų | 70 | 68% | 0.676 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -31.8 | 172.2 | -61.2 | -66.5 | 0 | 0 | 0 | 113.1 | H164 S168 S169 V170 | H164-H166 PolarHBondContact O-N 3.44Å; H166-S168 VanDerWaalsContact C-N 3.3Å; H166-S168 PolarHBondContact O-N 3.36Å; H166-S169 CarbonylContact O-C 3.58Å; H166-S169 WeakPolarHBondContact O-CA 3.28Å; H166-S169 WeakPolarHBondContact O-CB 3.46Å; H166-S169 PolarHBondContact O-N 2.8Å; H166-S169 PolarHBondContact O-OG 2.9Å; H166-V170 PolarHBondContact O-N 3.37Å |
| 167 | L | 54.8 | Low | 60.6 | Low | 39 Ų | 39 | 79.2 Ų | 79.2 | 20% | 0.204 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.3 | -34.4 | 177.2 | -62.7 | -177.9 | 0 | 0 | 0 | 111.4 | H164 S169 V170 G171 T219 V225 | H164-L167 HydrophobicContact CB-CB 4.42Å; H164-L167 HydrophobicContact CB-CD1 3.72Å; H164-L167 HydrophobicContact CB-CG 3.79Å; H164-L167 WeakPolarHBondContact O-CB 3.27Å; H164-L167 PolarHBondContact O-N 3.26Å; L167-S169 PolarHBondContact O-N 3.49Å; L167-S169 VanDerWaalsContact O-N 3.17Å; L167-V170 PolarHBondContact O-N 2.93Å; L167-G171 PolarHBondContact O-N 3.13Å; L167-G171 VanDerWaalsContact O-N 3.15Å; L167-T219 HydrophobicContact CD1-CG2 4.47Å; L167-T219 HydrophobicContact CD2-CG2 3.79Å; L167-V225 HydrophobicContact CD1-CG2 4.16Å |
| 168 | S | 51.2 | Low | 59.3 | Low | 57 Ų | 57 | 80.8 Ų | 80.8 | 40% | 0.399 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62 | -18.1 | 169.6 | -50.1 | 0 | 0 | 0 | 0 | 113.5 | P165 H166 | P165-S168 WeakPolarHBondContact O-CB 3.2Å; P165-S168 PolarHBondContact O-N 3.01Å; H166-S168 VanDerWaalsContact C-N 3.3Å; H166-S168 PolarHBondContact O-N 3.36Å |
| 169 | S | 44.8 | Very low | 57.8 | Low | 67 Ų | 67 | 83.8 Ų | 83.8 | 47% | 0.469 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -97.1 | -29.3 | 173.1 | 79.4 | 0 | 0 | 0 | 0 | 113.9 | H166 L167 G171 A172 | H166-S169 CarbonylContact O-C 3.58Å; H166-S169 WeakPolarHBondContact O-CA 3.28Å; H166-S169 WeakPolarHBondContact O-CB 3.46Å; H166-S169 PolarHBondContact O-N 2.8Å; H166-S169 PolarHBondContact O-OG 2.9Å; L167-S169 PolarHBondContact O-N 3.49Å; L167-S169 VanDerWaalsContact O-N 3.17Å; S169-G171 VanDerWaalsContact C-N 3.28Å; S169-G171 PolarHBondContact O-N 2.92Å; S169-A172 WeakPolarHBondContact O-CB 3.35Å; S169-A172 PolarHBondContact O-N 3.23Å |
| 170 | V | 44.2 | Very low | 56.6 | Low | 79 Ų | 79 | 87 Ų | 87 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -36.3 | 173.4 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | H166 L167 A172 | H166-V170 PolarHBondContact O-N 3.37Å; L167-V170 PolarHBondContact O-N 2.93Å; V170-A172 PolarHBondContact O-N 3.1Å |
| 171 | G | 41 | Very low | 56 | Low | 38 Ų | 38 | 88.9 Ų | 88.9 | 39% | 0.392 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -61.8 | -16 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L167 S169 H173 S174 | L167-G171 PolarHBondContact O-N 3.13Å; L167-G171 VanDerWaalsContact O-N 3.15Å; S169-G171 VanDerWaalsContact C-N 3.28Å; S169-G171 PolarHBondContact O-N 2.92Å; G171-H173 PolarHBondContact O-N 2.92Å; G171-H173 VanDerWaalsContact O-N 3.11Å; G171-S174 PolarHBondContact O-N 3.48Å |
| 172 | A | 39.2 | Very low | 55.6 | Low | 75 Ų | 75 | 86.3 Ų | 86.3 | 62% | 0.62 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -72.4 | -3.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S169 V170 | S169-A172 WeakPolarHBondContact O-CB 3.35Å; S169-A172 PolarHBondContact O-N 3.23Å; V170-A172 PolarHBondContact O-N 3.1Å |
| 173 | H | 41.3 | Very low | 55.5 | Low | 187 Ų | 187 | 85.9 Ų | 85.9 | 87% | 0.866 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -99.6 | -4.2 | 174.4 | -65.9 | -12.9 | 0 | 0 | 0 | 114.1 | G171 | G171-H173 PolarHBondContact O-N 2.92Å; G171-H173 VanDerWaalsContact O-N 3.11Å |
| 174 | S | 41.2 | Very low | 55.9 | Low | 80 Ų | 80 | 87 Ų | 87 | 56% | 0.559 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133 | 117.2 | 170 | -175.3 | 0 | 0 | 0 | 0 | 109 | G171 K176 | G171-S174 PolarHBondContact O-N 3.48Å; S174-K176 VanDerWaalsContact C-N 3.27Å; S174-K176 PolarHBondContact O-N 2.77Å |
| 175 | Q | 40.8 | Very low | 56.7 | Low | 201 Ų | 201 | 84.1 Ų | 84.1 | 94% | 0.939 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 65.6 | -162.1 | -65 | -173.7 | -9.4 | 0 | 0 | 115.6 | ||
| 176 | K | 46.3 | Very low | 57.8 | Low | 128 Ų | 128 | 80.4 Ų | 80.4 | 56% | 0.557 | 44% | 0.443 | S | S | * | . | trans | -123.4 | 108.8 | 170.5 | -66.7 | -170.1 | 175.3 | 179.5 | 0 | 109.1 | S174 L180 L184 | S174-K176 VanDerWaalsContact C-N 3.27Å; S174-K176 PolarHBondContact O-N 2.77Å; K176-L180 HydrophobicContact CB-CD2 3.9Å; K176-L180 HydrophobicContact CD-CD2 4.06Å; K176-L180 HydrophobicContact CG-CD2 3.7Å; K176-L184 HydrophobicContact CD-CD1 4.43Å | ||
| 177 | R | 55.9 | Low | 59.1 | Low | 194 Ų | 194 | 77.8 Ų | 77.8 | 73% | 0.732 | 43% | 0.427 | S | S | * | . | trans | -64.5 | 152 | 179.4 | -59.7 | 176 | -175.5 | 167.8 | 1.2 | 110 | C179 L180 Q181 | R177-C179 PolarHBondContact O-N 3.02Å; R177-C179 VanDerWaalsContact O-N 3.14Å; R177-L180 WeakPolarHBondContact O-CA 3.24Å; R177-L180 VanDerWaalsContact O-CB 3.23Å; R177-L180 WeakPolarHBondContact O-CB 3.2Å; R177-L180 PolarHBondContact O-N 3.48Å; R177-Q181 PolarHBondContact O-N 3.32Å | ||
| 178 | P | 59.1 | Low | 60.6 | Low | 61 Ų | 61 | 77.2 Ų | 77.2 | 40% | 0.396 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -54.5 | -35.5 | 178.9 | -28.6 | 35.9 | 0 | 0 | 0 | 114.5 | H157 I161 L180 Q181 A182 | H157-P178 PolarHBondContact NE2-O 3.25Å; I161-P178 HydrophobicContact CD1-CB 4.33Å; P178-L180 VanDerWaalsContact C-N 3.27Å; P178-L180 PolarHBondContact O-N 3.08Å; P178-Q181 WeakPolarHBondContact O-CB 3.46Å; P178-Q181 PolarHBondContact O-N 3.2Å; P178-Q181 VanDerWaalsContact O-N 3.13Å; P178-A182 PolarHBondContact O-N 3.34Å; P178-A182 VanDerWaalsContact O-N 3.12Å |
| 179 | C | 57.8 | Low | 62.5 | Low | 90 Ų | 90 | 74.5 Ų | 74.5 | 61% | 0.608 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.1 | -29.2 | 173.4 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | R177 A183 | R177-C179 PolarHBondContact O-N 3.02Å; R177-C179 VanDerWaalsContact O-N 3.14Å; C179-A183 WeakPolarHBondContact O-CB 3.39Å; C179-A183 PolarHBondContact O-N 3.29Å; C179-A183 VanDerWaalsContact O-N 3.16Å |
| 180 | L | 62.7 | Low | 64.6 | Low | 77 Ų | 77 | 73.5 Ų | 73.5 | 40% | 0.403 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -73.8 | -34.5 | 173.9 | -160.7 | 84.5 | 0 | 0 | 0 | 111.2 | K176 R177 P178 A183 L184 | K176-L180 HydrophobicContact CB-CD2 3.9Å; K176-L180 HydrophobicContact CD-CD2 4.06Å; K176-L180 HydrophobicContact CG-CD2 3.7Å; R177-L180 WeakPolarHBondContact O-CA 3.24Å; R177-L180 VanDerWaalsContact O-CB 3.23Å; R177-L180 WeakPolarHBondContact O-CB 3.2Å; R177-L180 PolarHBondContact O-N 3.48Å; P178-L180 VanDerWaalsContact C-N 3.27Å; P178-L180 PolarHBondContact O-N 3.08Å; L180-A183 PolarHBondContact O-N 3.07Å; L180-L184 HydrophobicContact CD2-CD1 4.42Å; L180-L184 HydrophobicContact CG-CD1 4.38Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 VanDerWaalsContact O-CG 3.24Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 3.08Å |
| 181 | Q | 71.7 | Confident | 66.7 | Low | 52 Ų | 52 | 72.2 Ų | 72.2 | 24% | 0.243 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.4 | -49.4 | 178.3 | -176.9 | 170.6 | -7.5 | 0 | 0 | 111 | R177 P178 A183 L184 W185 | R177-Q181 PolarHBondContact O-N 3.32Å; P178-Q181 WeakPolarHBondContact O-CB 3.46Å; P178-Q181 PolarHBondContact O-N 3.2Å; P178-Q181 VanDerWaalsContact O-N 3.13Å; Q181-A183 PolarHBondContact O-N 3.42Å; Q181-L184 PolarHBondContact O-N 3.06Å; Q181-W185 HydrophobicContact CG-CD2 4.12Å; Q181-W185 HydrophobicContact CG-CE3 4.34Å; Q181-W185 HydrophobicContact CG-CH2 4.07Å; Q181-W185 HydrophobicContact CG-CZ2 3.8Å; Q181-W185 HydrophobicContact CG-CZ3 4.32Å; Q181-W185 PolarHBondContact O-N 2.88Å |
| 182 | A | 73.3 | Confident | 69 | Low | 12 Ų | 12 | 70.4 Ų | 70.4 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57 | -47.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P178 L184 W185 T186 | P178-A182 PolarHBondContact O-N 3.34Å; P178-A182 VanDerWaalsContact O-N 3.12Å; A182-L184 VanDerWaalsContact C-N 3.29Å; A182-L184 PolarHBondContact O-N 3.21Å; A182-W185 PolarHBondContact O-N 2.91Å; A182-T186 WeakPolarHBondContact O-CB 3.44Å; A182-T186 PolarHBondContact O-N 2.99Å; A182-T186 PolarHBondContact O-OG1 3.13Å |
| 183 | A | 77.8 | Confident | 71.4 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 33% | 0.331 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.8 | -29.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | C179 L180 Q181 R187 | C179-A183 WeakPolarHBondContact O-CB 3.39Å; C179-A183 PolarHBondContact O-N 3.29Å; C179-A183 VanDerWaalsContact O-N 3.16Å; L180-A183 PolarHBondContact O-N 3.07Å; Q181-A183 PolarHBondContact O-N 3.42Å; A183-R187 WeakPolarHBondContact O-CG 3.35Å; A183-R187 PolarHBondContact O-N 2.9Å |
| 184 | L | 82.9 | Confident | 73.6 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 31% | 0.314 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.6 | -48.4 | 172.6 | -75.6 | 166.1 | 0 | 0 | 0 | 111 | K176 L180 Q181 A182 T186 R187 Q188 | K176-L184 HydrophobicContact CD-CD1 4.43Å; L180-L184 HydrophobicContact CD2-CD1 4.42Å; L180-L184 HydrophobicContact CG-CD1 4.38Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 VanDerWaalsContact O-CG 3.24Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 3.08Å; Q181-L184 PolarHBondContact O-N 3.06Å; A182-L184 VanDerWaalsContact C-N 3.29Å; A182-L184 PolarHBondContact O-N 3.21Å; L184-T186 VanDerWaalsContact C-N 3.34Å; L184-T186 PolarHBondContact O-N 3.47Å; L184-R187 PolarHBondContact O-N 3.13Å; L184-Q188 WeakPolarHBondContact O-CG 3.36Å; L184-Q188 PolarHBondContact O-N 3.37Å |
| 185 | W | 85.3 | Confident | 75.8 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 176.6 | -66.8 | -19.7 | 0 | 0 | 0 | 112.2 | I153 H157 L160 Q181 A182 R187 Q188 V189 I210 I211 E214 | I153-W185 HydrophobicContact CD1-CB 4.1Å; I153-W185 WeakPolarHBondContact CD1-O 3.47Å; I153-W185 HydrophobicContact CG1-CB 4.49Å; I153-W185 HydrophobicContact CG2-CB 3.91Å; I153-W185 HydrophobicContact CG2-CE3 4.14Å; H157-W185 HydrophobicContact CB-CE3 4.34Å; H157-W185 HydrophobicContact CB-CZ3 3.92Å; H157-W185 AromaticContact CD2-CZ3 3.6Å; L160-W185 HydrophobicContact CD1-CH2 3.67Å; L160-W185 HydrophobicContact CD1-CZ3 4.08Å; Q181-W185 HydrophobicContact CG-CD2 4.12Å; Q181-W185 HydrophobicContact CG-CE3 4.34Å; Q181-W185 HydrophobicContact CG-CH2 4.07Å; Q181-W185 HydrophobicContact CG-CZ2 3.8Å; Q181-W185 HydrophobicContact CG-CZ3 4.32Å; Q181-W185 PolarHBondContact O-N 2.88Å; A182-W185 PolarHBondContact O-N 2.91Å; W185-R187 PolarHBondContact O-N 2.88Å; W185-Q188 WeakPolarHBondContact O-CB 3.09Å; W185-Q188 PolarHBondContact O-N 3.32Å; W185-V189 PolarHBondContact O-N 2.86Å; W185-I210 HydrophobicContact CB-CG2 4.5Å; W185-I211 HydrophobicContact CD2-CG1 3.82Å; W185-I211 HydrophobicContact CE3-CD1 3.97Å; W185-I211 HydrophobicContact CE3-CG1 3.72Å; W185-I211 HydrophobicContact CG-CG1 4.41Å; W185-I211 HydrophobicContact CH2-CB 4.41Å; W185-I211 HydrophobicContact CH2-CD1 4.44Å; W185-I211 HydrophobicContact CH2-CG1 3.98Å; W185-I211 HydrophobicContact CH2-CG2 3.9Å; W185-I211 HydrophobicContact CZ2-CB 4.38Å; W185-I211 HydrophobicContact CZ2-CG1 4.1Å; W185-I211 HydrophobicContact CZ2-CG2 4.15Å; W185-I211 HydrophobicContact CZ3-CD1 3.91Å; W185-I211 HydrophobicContact CZ3-CG1 3.79Å; W185-I211 HydrophobicContact CZ3-CG2 4.4Å; W185-E214 HydrophobicContact CZ2-CB 4.36Å |
| 186 | T | 85.7 | Confident | 77.8 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 179.8 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | Q65 I150 A182 L184 V189 Q190 | Q65-T186 HydrophobicContact CB-CG2 3.94Å; I150-T186 HydrophobicContact CB-CG2 4.31Å; I150-T186 HydrophobicContact CD1-CG2 3.52Å; I150-T186 HydrophobicContact CG1-CG2 3.77Å; I150-T186 HydrophobicContact CG2-CG2 3.68Å; A182-T186 WeakPolarHBondContact O-CB 3.44Å; A182-T186 PolarHBondContact O-N 2.99Å; A182-T186 PolarHBondContact O-OG1 3.13Å; L184-T186 VanDerWaalsContact C-N 3.34Å; L184-T186 PolarHBondContact O-N 3.47Å; T186-V189 PolarHBondContact O-N 2.93Å; T186-Q190 WeakPolarHBondContact O-CG 3.49Å; T186-Q190 PolarHBondContact O-N 3.3Å |
| 187 | R | 84.3 | Confident | 79.7 | Confident | 92 Ų | 92 | 46 Ų | 46 | 35% | 0.347 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.9 | -43 | 171.1 | -76.1 | 176.3 | 172.9 | -164.2 | -1.5 | 112.9 | A183 L184 W185 V189 Q190 H191 F266 | A183-R187 WeakPolarHBondContact O-CG 3.35Å; A183-R187 PolarHBondContact O-N 2.9Å; L184-R187 PolarHBondContact O-N 3.13Å; W185-R187 PolarHBondContact O-N 2.88Å; R187-V189 VanDerWaalsContact C-N 3.32Å; R187-V189 PolarHBondContact O-N 3.38Å; R187-Q190 WeakPolarHBondContact O-CB 3.49Å; R187-Q190 PolarHBondContact O-N 3.26Å; R187-Q190 VanDerWaalsContact O-N 3.14Å; R187-H191 PolarHBondContact O-CD2 3.46Å; R187-H191 PolarHBondContact O-N 2.94Å; R187-H191 VanDerWaalsContact O-N 3.07Å; R187-F266 PolarHBondContact NH1-O 3.47Å |
| 188 | Q | 86.7 | Confident | 81.2 | Confident | 27 Ų | 27 | 36.8 Ų | 36.8 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 175.5 | -74.6 | 167.6 | -42.6 | 0 | 0 | 111 | L184 W185 Q190 H191 C192 I210 E214 L251 | L184-Q188 WeakPolarHBondContact O-CG 3.36Å; L184-Q188 PolarHBondContact O-N 3.37Å; W185-Q188 WeakPolarHBondContact O-CB 3.09Å; W185-Q188 PolarHBondContact O-N 3.32Å; Q188-Q190 PolarHBondContact O-N 2.98Å; Q188-H191 PolarHBondContact O-N 2.88Å; Q188-C192 WeakPolarHBondContact O-CB 3.48Å; Q188-C192 PolarHBondContact O-N 3.46Å; Q188-C192 PolarHBondContact O-SG 3.45Å; Q188-I210 HydrophobicContact CB-CD1 4.41Å; Q188-I210 HydrophobicContact CB-CG2 3.94Å; Q188-E214 PolarHBondContact NE2-OE1 3.46Å; Q188-L251 HydrophobicContact CB-CD2 4.28Å; Q188-L251 HydrophobicContact CG-CD1 4.36Å; Q188-L251 HydrophobicContact CG-CD2 4.15Å |
| 189 | V | 90.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 171.8 | 141.7 | 0 | 0 | 0 | 0 | 111.9 | P149 I150 I153 W185 T186 R187 H191 C192 M193 L206 I210 | P149-V189 HydrophobicContact CB-CG1 3.83Å; P149-V189 HydrophobicContact CB-CG2 4.05Å; I150-V189 HydrophobicContact CD1-CG1 4.43Å; I150-V189 HydrophobicContact CG1-CG1 3.64Å; I153-V189 HydrophobicContact CD1-CB 3.62Å; I153-V189 HydrophobicContact CD1-CG1 4.26Å; I153-V189 HydrophobicContact CD1-CG2 3.38Å; I153-V189 HydrophobicContact CG1-CG2 4.25Å; W185-V189 PolarHBondContact O-N 2.86Å; T186-V189 PolarHBondContact O-N 2.93Å; R187-V189 VanDerWaalsContact C-N 3.32Å; R187-V189 PolarHBondContact O-N 3.38Å; V189-H191 VanDerWaalsContact C-N 3.31Å; V189-H191 PolarHBondContact O-N 3.45Å; V189-C192 CarbonylContact O-C 3.5Å; V189-C192 PolarHBondContact O-N 3.29Å; V189-C192 VanDerWaalsContact O-N 3.13Å; V189-M193 HydrophobicContact CG1-CG 4.2Å; V189-M193 HydrophobicContact CG1-SD 3.79Å; V189-M193 WeakPolarHBondContact O-CB 3.15Å; V189-M193 VanDerWaalsContact O-CG 3.28Å; V189-M193 WeakPolarHBondContact O-CG 3.5Å; V189-M193 PolarHBondContact O-N 3.22Å; V189-L206 HydrophobicContact CG2-CG 4.49Å; V189-I210 HydrophobicContact CB-CD1 4.33Å; V189-I210 HydrophobicContact CG2-CD1 3.53Å |
| 190 | Q | 89.3 | Confident | 83.9 | Confident | 45 Ų | 45 | 34.6 Ų | 34.6 | 21% | 0.21 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.6 | -40.8 | 179.8 | -72.4 | 178.8 | -38.4 | 0 | 0 | 112.3 | F68 I150 T186 R187 Q188 | F68-Q190 HydrophobicContact CD1-CB 4.41Å; F68-Q190 HydrophobicContact CD1-CG 3.73Å; F68-Q190 HydrophobicContact CE1-CB 3.88Å; F68-Q190 HydrophobicContact CE1-CG 3.7Å; I150-Q190 HydrophobicContact CD1-CG 4.3Å; T186-Q190 WeakPolarHBondContact O-CG 3.49Å; T186-Q190 PolarHBondContact O-N 3.3Å; R187-Q190 WeakPolarHBondContact O-CB 3.49Å; R187-Q190 PolarHBondContact O-N 3.26Å; R187-Q190 VanDerWaalsContact O-N 3.14Å; Q188-Q190 PolarHBondContact O-N 2.98Å |
| 191 | H | 87.4 | Confident | 85.2 | Confident | 52 Ų | 52 | 32.2 Ų | 32.2 | 24% | 0.241 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.7 | -45.4 | 172.6 | -70.6 | -67.8 | 0 | 0 | 0 | 111.9 | R187 Q188 V189 M193 A194 Y250 L254 | R187-H191 PolarHBondContact O-CD2 3.46Å; R187-H191 PolarHBondContact O-N 2.94Å; R187-H191 VanDerWaalsContact O-N 3.07Å; Q188-H191 PolarHBondContact O-N 2.88Å; V189-H191 VanDerWaalsContact C-N 3.31Å; V189-H191 PolarHBondContact O-N 3.45Å; H191-M193 VanDerWaalsContact C-N 3.3Å; H191-M193 PolarHBondContact O-N 2.81Å; H191-A194 WeakPolarHBondContact O-CB 3.24Å; H191-A194 PolarHBondContact O-N 3.42Å; H191-A194 VanDerWaalsContact O-N 3.08Å; H191-Y250 HydrophobicContact CB-CE1 4.29Å; H191-Y250 PolarHBondContact O-OH 3.15Å; H191-L254 HydrophobicContact CB-CD2 4.12Å |
| 192 | C | 89.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.1 | -35.2 | 178.1 | -65.1 | 0 | 0 | 0 | 0 | 112.8 | Q188 V189 A194 C195 L198 L206 I210 | Q188-C192 WeakPolarHBondContact O-CB 3.48Å; Q188-C192 PolarHBondContact O-N 3.46Å; Q188-C192 PolarHBondContact O-SG 3.45Å; V189-C192 CarbonylContact O-C 3.5Å; V189-C192 PolarHBondContact O-N 3.29Å; V189-C192 VanDerWaalsContact O-N 3.13Å; C192-A194 PolarHBondContact O-N 3.05Å; C192-C195 WeakPolarHBondContact O-CB 3.45Å; C192-C195 PolarHBondContact O-N 2.87Å; C192-L198 HydrophobicContact CB-CB 4.27Å; C192-L198 HydrophobicContact CB-CD1 3.67Å; C192-L198 WeakPolarHBondContact O-CB 3.45Å; C192-L206 HydrophobicContact CB-CD1 4.04Å; C192-L206 HydrophobicContact CB-CD2 4.12Å; C192-I210 HydrophobicContact CB-CD1 4.39Å |
| 193 | M | 89.8 | Confident | 87 | Confident | 10 Ų | 10 | 32.8 Ų | 32.8 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.3 | -22 | 175.7 | -73.4 | -179 | 78.7 | 0 | 0 | 113.4 | A69 V72 P149 V189 H191 | A69-M193 HydrophobicContact CB-CE 3.88Å; A69-M193 HydrophobicContact CB-SD 3.87Å; V72-M193 HydrophobicContact CB-CE 3.91Å; V72-M193 HydrophobicContact CG1-CB 4.47Å; V72-M193 HydrophobicContact CG1-CE 3.88Å; P149-M193 HydrophobicContact CB-SD 4.38Å; P149-M193 HydrophobicContact CG-CE 4.07Å; P149-M193 HydrophobicContact CG-CG 4.14Å; P149-M193 HydrophobicContact CG-SD 3.8Å; V189-M193 HydrophobicContact CG1-CG 4.2Å; V189-M193 HydrophobicContact CG1-SD 3.79Å; V189-M193 WeakPolarHBondContact O-CB 3.15Å; V189-M193 VanDerWaalsContact O-CG 3.28Å; V189-M193 WeakPolarHBondContact O-CG 3.5Å; V189-M193 PolarHBondContact O-N 3.22Å; H191-M193 VanDerWaalsContact C-N 3.3Å; H191-M193 PolarHBondContact O-N 2.81Å |
| 194 | A | 87.8 | Confident | 87.8 | Confident | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.017 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -80.9 | -19.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q48 I51 L52 H191 C192 H196 | Q48-A194 WeakPolarHBondContact CB-O 3.47Å; Q48-A194 HydrophobicContact CG-CB 4.38Å; Q48-A194 WeakPolarHBondContact CG-O 3.36Å; I51-A194 HydrophobicContact CB-CB 4.17Å; I51-A194 HydrophobicContact CG2-CB 3.69Å; L52-A194 HydrophobicContact CD2-CB 3.92Å; L52-A194 HydrophobicContact CG-CB 4.07Å; H191-A194 WeakPolarHBondContact O-CB 3.24Å; H191-A194 PolarHBondContact O-N 3.42Å; H191-A194 VanDerWaalsContact O-N 3.08Å; C192-A194 PolarHBondContact O-N 3.05Å; A194-H196 PolarHBondContact O-N 2.9Å |
| 195 | C | 86.6 | Confident | 88.4 | Confident | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -82 | 115.2 | 176.5 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | C192 Q197 L198 S199 Y250 | C192-C195 WeakPolarHBondContact O-CB 3.45Å; C192-C195 PolarHBondContact O-N 2.87Å; C195-Q197 PolarHBondContact O-N 3.47Å; C195-L198 HydrophobicContact CB-CB 4.16Å; C195-L198 HydrophobicContact CB-CD1 4.16Å; C195-L198 HydrophobicContact CB-CG 4.19Å; C195-L198 PolarHBondContact O-N 2.93Å; C195-L198 VanDerWaalsContact O-N 3.08Å; C195-S199 PolarHBondContact O-N 3.46Å; C195-Y250 HydrophobicContact CB-CD2 4.18Å; C195-Y250 HydrophobicContact CB-CE1 4.27Å; C195-Y250 HydrophobicContact CB-CE2 3.8Å |
| 196 | H | 83.9 | Confident | 88.7 | Confident | 49 Ų | 49 | 28.2 Ų | 28.2 | 23% | 0.227 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -20.2 | -177.2 | 78.7 | -80.2 | 0 | 0 | 0 | 115.3 | F32 P44 A194 S199 Q200 | F32-H196 HydrophobicContact CE2-CB 4.04Å; F32-H196 HydrophobicContact CZ-CB 4.15Å; P44-H196 HydrophobicContact CB-CB 3.98Å; A194-H196 PolarHBondContact O-N 2.9Å; H196-S199 WeakPolarHBondContact CA-OG 3.5Å; H196-S199 PolarHBondContact O-OG 3.27Å; H196-Q200 WeakPolarHBondContact O-CG 3.29Å; H196-Q200 PolarHBondContact O-NE2 3.21Å |
| 197 | Q | 86.2 | Confident | 89.2 | Confident | 91 Ų | 91 | 28.1 Ų | 28.1 | 43% | 0.425 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -49 | 174.5 | -68.2 | 171.2 | -31.3 | 0 | 0 | 110.2 | C195 S199 Q200 M246 | C195-Q197 PolarHBondContact O-N 3.47Å; Q197-S199 VanDerWaalsContact C-N 3.31Å; Q197-S199 PolarHBondContact O-N 3.17Å; Q197-Q200 WeakPolarHBondContact O-CB 3.32Å; Q197-Q200 PolarHBondContact O-N 2.93Å; Q197-Q200 VanDerWaalsContact O-N 3.14Å; Q197-M246 HydrophobicContact CB-CE 3.66Å; Q197-M246 HydrophobicContact CG-CE 4Å |
| 198 | L | 87.1 | Confident | 89.6 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -68.9 | -30 | -179.9 | -62.5 | -179.5 | 0 | 0 | 0 | 112.5 | C192 C195 Q200 F201 L206 M246 V247 Y250 | C192-L198 HydrophobicContact CB-CB 4.27Å; C192-L198 HydrophobicContact CB-CD1 3.67Å; C192-L198 WeakPolarHBondContact O-CB 3.45Å; C195-L198 HydrophobicContact CB-CB 4.16Å; C195-L198 HydrophobicContact CB-CD1 4.16Å; C195-L198 HydrophobicContact CB-CG 4.19Å; C195-L198 PolarHBondContact O-N 2.93Å; C195-L198 VanDerWaalsContact O-N 3.08Å; L198-Q200 PolarHBondContact O-N 3.07Å; L198-F201 HydrophobicContact CD2-CE2 4.36Å; L198-F201 PolarHBondContact O-N 3.14Å; L198-L206 HydrophobicContact CB-CD1 4.27Å; L198-M246 HydrophobicContact CD2-CB 3.61Å; L198-V247 HydrophobicContact CD1-CG2 4.19Å; L198-V247 HydrophobicContact CD2-CG2 3.76Å; L198-Y250 HydrophobicContact CD1-CD1 3.6Å; L198-Y250 HydrophobicContact CD1-CE1 4.37Å; L198-Y250 HydrophobicContact CD1-CG 3.78Å |
| 199 | S | 84.9 | Confident | 89.9 | Confident | 14 Ų | 14 | 22.5 Ų | 22.5 | 10% | 0.098 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -66.9 | -11.5 | 173.3 | 71.6 | 0 | 0 | 0 | 0 | 114.3 | V29 C195 H196 Q197 | V29-S199 VanDerWaalsContact CG1-O 3.26Å; V29-S199 WeakPolarHBondContact CG1-O 3.5Å; V29-S199 VanDerWaalsContact CG2-O 3.29Å; V29-S199 WeakPolarHBondContact CG2-O 3.34Å; C195-S199 PolarHBondContact O-N 3.46Å; H196-S199 WeakPolarHBondContact CA-OG 3.5Å; H196-S199 PolarHBondContact O-OG 3.27Å; Q197-S199 VanDerWaalsContact C-N 3.31Å; Q197-S199 PolarHBondContact O-N 3.17Å |
| 200 | Q | 88.3 | Confident | 89.9 | Confident | 91 Ų | 91 | 22.5 Ų | 22.5 | 43% | 0.425 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -84 | -7 | 175.6 | -71.3 | 171.6 | 72.3 | 0 | 0 | 113.9 | W27 V29 H196 Q197 L198 | W27-Q200 WeakPolarHBondContact CZ2-O 3.41Å; V29-Q200 HydrophobicContact CG1-CG 4.18Å; H196-Q200 WeakPolarHBondContact O-CG 3.29Å; H196-Q200 PolarHBondContact O-NE2 3.21Å; Q197-Q200 WeakPolarHBondContact O-CB 3.32Å; Q197-Q200 PolarHBondContact O-N 2.93Å; Q197-Q200 VanDerWaalsContact O-N 3.14Å; L198-Q200 PolarHBondContact O-N 3.07Å |
| 201 | F | 90.7 | Very high | 89.9 | Confident | 27 Ų | 27 | 20.4 Ų | 20.4 | 12% | 0.118 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -86.7 | 169 | 170.3 | -62.7 | -83 | 0 | 0 | 0 | 111.2 | W27 L198 E239 H242 C243 M246 | W27-F201 PolarHBondContact NE1-O 3.34Å; L198-F201 HydrophobicContact CD2-CE2 4.36Å; L198-F201 PolarHBondContact O-N 3.14Å; F201-E239 HydrophobicContact CD1-CG 4.33Å; F201-H242 AromaticContact CZ-CD2 3.8Å; F201-C243 HydrophobicContact CD1-CB 3.6Å; F201-C243 HydrophobicContact CD2-CB 4.22Å; F201-C243 HydrophobicContact CE1-CB 3.63Å; F201-C243 HydrophobicContact CE2-CB 4.25Å; F201-C243 HydrophobicContact CG-CB 3.91Å; F201-C243 VanDerWaalsContact CG-SG 3.51Å; F201-C243 HydrophobicContact CZ-CB 3.97Å; F201-M246 HydrophobicContact CE2-SD 4.07Å; F201-M246 HydrophobicContact CZ-SD 4.17Å |
| 202 | K | 91.8 | Very high | 90.1 | Very high | 70 Ų | 70 | 18 Ų | 18 | 30% | 0.304 | 9% | 0.087 | S | C | . | . | trans | -68.8 | 151.8 | 166.4 | -72.3 | 171.4 | -166.6 | 138.9 | 0 | 110.6 | E23 W27 S204 T205 L206 E239 | E23-K202 WeakPolarHBondContact OE1-CB 3.5Å; W27-K202 HydrophobicContact CD2-CG 4.41Å; K202-S204 VanDerWaalsContact C-N 3.28Å; K202-S204 PolarHBondContact O-N 3.27Å; K202-T205 PolarHBondContact O-N 3.05Å; K202-L206 WeakPolarHBondContact O-CB 3.15Å; K202-L206 PolarHBondContact O-N 3.43Å; K202-E239 IonicContact NZ-OE1 2.69Å; K202-E239 IonicContact NZ-OE2 3.96Å; K202-E239 PolarHBondContact NZ-OE2 3.26Å; K202-E239 VanDerWaalsContact NZ-OE2 3.15Å | ||
| 203 | G | 91.5 | Very high | 90 | Very high | 7 Ų | 7 | 18.2 Ų | 18.2 | 7% | 0.072 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.5 | -34.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | E23 F152 A207 | E23-G203 WeakPolarHBondContact OE1-CA 3.12Å; E23-G203 PolarHBondContact OE1-N 2.63Å; F152-G203 VanDerWaalsContact CD2-C 3.48Å; G203-A207 WeakPolarHBondContact O-CB 3.26Å; G203-A207 PolarHBondContact O-N 3.23Å |
| 204 | S | 94.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.014 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60 | -49.6 | 171 | 57 | 0 | 0 | 0 | 0 | 112.2 | E23 F152 K202 L208 | E23-S204 PolarHBondContact OE1-N 3.19Å; E23-S204 WeakPolarHBondContact OE2-CB 3.28Å; E23-S204 PolarHBondContact OE2-OG 3.33Å; F152-S204 VanDerWaalsContact CD2-N 3.29Å; K202-S204 VanDerWaalsContact C-N 3.28Å; K202-S204 PolarHBondContact O-N 3.27Å; S204-L208 WeakPolarHBondContact O-CB 3.4Å; S204-L208 PolarHBondContact O-N 3.41Å; S204-L208 VanDerWaalsContact O-N 3.07Å |
| 205 | T | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.6 | -48.4 | 175.8 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | K202 L208 A209 I235 E239 C243 | K202-T205 PolarHBondContact O-N 3.05Å; T205-L208 PolarHBondContact O-N 3.07Å; T205-A209 WeakPolarHBondContact O-CB 3.41Å; T205-A209 PolarHBondContact O-N 2.96Å; T205-I235 HydrophobicContact CG2-CG2 4.12Å; T205-E239 HydrophobicContact CG2-CG 4.37Å; T205-E239 PolarHBondContact OG1-OE1 3.32Å; T205-C243 HydrophobicContact CG2-CB 3.66Å |
| 206 | L | 93.6 | Very high | 89.5 | Confident | 5 Ų | 5 | 22.1 Ų | 22.1 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | -178.1 | -177.2 | 63.8 | 0 | 0 | 0 | 112.6 | P149 V189 C192 L198 K202 A209 I210 V247 | P149-L206 HydrophobicContact CB-CD2 4.45Å; P149-L206 HydrophobicContact CG-CD2 4.48Å; V189-L206 HydrophobicContact CG2-CG 4.49Å; C192-L206 HydrophobicContact CB-CD1 4.04Å; C192-L206 HydrophobicContact CB-CD2 4.12Å; L198-L206 HydrophobicContact CB-CD1 4.27Å; K202-L206 WeakPolarHBondContact O-CB 3.15Å; K202-L206 PolarHBondContact O-N 3.43Å; L206-A209 PolarHBondContact O-N 3.37Å; L206-I210 HydrophobicContact CD1-CD1 4.23Å; L206-I210 HydrophobicContact CG-CD1 4.26Å; L206-I210 PolarHBondContact O-N 3.5Å; L206-V247 HydrophobicContact CD1-CG2 3.56Å |
| 207 | A | 94.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | P149 F152 I153 F156 G203 A209 I211 | P149-A207 WeakPolarHBondContact O-CB 2.98Å; F152-A207 HydrophobicContact CB-CB 3.61Å; I153-A207 HydrophobicContact CG1-CB 3.91Å; F156-A207 HydrophobicContact CD2-CB 4.15Å; F156-A207 HydrophobicContact CE2-CB 4.13Å; G203-A207 WeakPolarHBondContact O-CB 3.26Å; G203-A207 PolarHBondContact O-N 3.23Å; A207-A209 VanDerWaalsContact C-N 3.34Å; A207-A209 PolarHBondContact O-N 2.88Å; A207-I211 WeakPolarHBondContact O-CB 3.38Å; A207-I211 VanDerWaalsContact O-CG1 3.32Å; A207-I211 WeakPolarHBondContact O-CG1 3.39Å; A207-I211 PolarHBondContact O-N 2.67Å |
| 208 | L | 92.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.1 | -36.2 | 177.6 | -173 | 61.7 | 0 | 0 | 0 | 111.8 | F156 S204 T205 T212 L229 L230 I235 F240 | F156-L208 HydrophobicContact CD2-CB 4.49Å; F156-L208 HydrophobicContact CE2-CB 3.94Å; F156-L208 HydrophobicContact CZ-CB 4.42Å; S204-L208 WeakPolarHBondContact O-CB 3.4Å; S204-L208 PolarHBondContact O-N 3.41Å; S204-L208 VanDerWaalsContact O-N 3.07Å; T205-L208 PolarHBondContact O-N 3.07Å; L208-T212 VanDerWaalsContact O-CB 3.29Å; L208-T212 WeakPolarHBondContact O-CB 3.29Å; L208-T212 PolarHBondContact O-N 3.06Å; L208-T212 PolarHBondContact O-OG1 3.48Å; L208-L229 HydrophobicContact CD1-CB 3.75Å; L208-L229 HydrophobicContact CD1-CD1 3.97Å; L208-L230 HydrophobicContact CD2-CB 4.25Å; L208-L230 HydrophobicContact CD2-CD1 3.81Å; L208-I235 HydrophobicContact CB-CD1 4.23Å; L208-I235 HydrophobicContact CD2-CD1 3.7Å; L208-F240 HydrophobicContact CB-CE2 4.25Å; L208-F240 HydrophobicContact CD2-CD2 4.23Å; L208-F240 HydrophobicContact CD2-CE2 4.14Å; L208-F240 HydrophobicContact CG-CD2 4.36Å; L208-F240 HydrophobicContact CG-CE2 3.85Å |
| 209 | A | 93.8 | Very high | 88 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.6 | -50.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T205 L206 A207 T212 L213 F240 K244 V247 | T205-A209 WeakPolarHBondContact O-CB 3.41Å; T205-A209 PolarHBondContact O-N 2.96Å; L206-A209 PolarHBondContact O-N 3.37Å; A207-A209 VanDerWaalsContact C-N 3.34Å; A207-A209 PolarHBondContact O-N 2.88Å; A209-T212 PolarHBondContact O-N 3.38Å; A209-L213 WeakPolarHBondContact O-CG 3.44Å; A209-L213 PolarHBondContact O-N 3.2Å; A209-F240 HydrophobicContact CB-CE2 4.2Å; A209-K244 HydrophobicContact CB-CB 4.3Å; A209-V247 HydrophobicContact CB-CG2 4.3Å |
| 210 | I | 91.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -45.5 | 178 | -69.9 | 163.4 | 0 | 0 | 0 | 111 | W185 Q188 V189 C192 L206 T212 L213 E214 V247 | W185-I210 HydrophobicContact CB-CG2 4.5Å; Q188-I210 HydrophobicContact CB-CD1 4.41Å; Q188-I210 HydrophobicContact CB-CG2 3.94Å; V189-I210 HydrophobicContact CB-CD1 4.33Å; V189-I210 HydrophobicContact CG2-CD1 3.53Å; C192-I210 HydrophobicContact CB-CD1 4.39Å; L206-I210 HydrophobicContact CD1-CD1 4.23Å; L206-I210 HydrophobicContact CG-CD1 4.26Å; L206-I210 PolarHBondContact O-N 3.5Å; I210-T212 VanDerWaalsContact C-N 3.32Å; I210-T212 PolarHBondContact O-N 2.95Å; I210-L213 PolarHBondContact O-N 3.14Å; I210-E214 PolarHBondContact O-N 3Å; I210-V247 HydrophobicContact CD1-CG1 4.45Å; I210-V247 HydrophobicContact CG1-CG1 3.56Å; I210-V247 HydrophobicContact CG1-CG2 4.49Å |
| 211 | I | 89.2 | Confident | 87 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62 | -40.1 | 176.9 | -73.5 | 176.1 | 0 | 0 | 0 | 111.5 | I153 F156 L160 W185 A207 E214 L215 | I153-I211 HydrophobicContact CG1-CD1 4.47Å; F156-I211 HydrophobicContact CB-CD1 3.55Å; F156-I211 HydrophobicContact CD2-CD1 4.13Å; F156-I211 HydrophobicContact CG-CD1 4.34Å; L160-I211 HydrophobicContact CD1-CG2 3.81Å; W185-I211 HydrophobicContact CD2-CG1 3.82Å; W185-I211 HydrophobicContact CE3-CD1 3.97Å; W185-I211 HydrophobicContact CE3-CG1 3.72Å; W185-I211 HydrophobicContact CG-CG1 4.41Å; W185-I211 HydrophobicContact CH2-CB 4.41Å; W185-I211 HydrophobicContact CH2-CD1 4.44Å; W185-I211 HydrophobicContact CH2-CG1 3.98Å; W185-I211 HydrophobicContact CH2-CG2 3.9Å; W185-I211 HydrophobicContact CZ2-CB 4.38Å; W185-I211 HydrophobicContact CZ2-CG1 4.1Å; W185-I211 HydrophobicContact CZ2-CG2 4.15Å; W185-I211 HydrophobicContact CZ3-CD1 3.91Å; W185-I211 HydrophobicContact CZ3-CG1 3.79Å; W185-I211 HydrophobicContact CZ3-CG2 4.4Å; A207-I211 WeakPolarHBondContact O-CB 3.38Å; A207-I211 VanDerWaalsContact O-CG1 3.32Å; A207-I211 WeakPolarHBondContact O-CG1 3.39Å; A207-I211 PolarHBondContact O-N 2.67Å; I211-E214 PolarHBondContact O-N 2.84Å; I211-L215 HydrophobicContact CG2-CD1 3.77Å; I211-L215 HydrophobicContact CG2-CG 4.24Å; I211-L215 WeakPolarHBondContact O-CB 3.47Å; I211-L215 VanDerWaalsContact O-CG 3.27Å; I211-L215 WeakPolarHBondContact O-CG 3.24Å; I211-L215 PolarHBondContact O-N 3.2Å |
| 212 | T | 90.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.6 | -41.2 | -179.2 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | L208 A209 I210 E214 L215 E216 W222 F226 F240 | L208-T212 VanDerWaalsContact O-CB 3.29Å; L208-T212 WeakPolarHBondContact O-CB 3.29Å; L208-T212 PolarHBondContact O-N 3.06Å; L208-T212 PolarHBondContact O-OG1 3.48Å; A209-T212 PolarHBondContact O-N 3.38Å; I210-T212 VanDerWaalsContact C-N 3.32Å; I210-T212 PolarHBondContact O-N 2.95Å; T212-E214 VanDerWaalsContact C-N 3.3Å; T212-E214 PolarHBondContact O-N 3.33Å; T212-L215 PolarHBondContact O-N 2.94Å; T212-E216 HydrophobicContact CG2-CG 4.48Å; T212-E216 WeakPolarHBondContact CG2-OE1 3.33Å; T212-E216 WeakPolarHBondContact O-CB 3.19Å; T212-E216 WeakPolarHBondContact O-CG 3.49Å; T212-E216 PolarHBondContact O-N 2.86Å; T212-W222 HydrophobicContact CG2-CE3 4.25Å; T212-W222 HydrophobicContact CG2-CZ3 4.23Å; T212-F226 HydrophobicContact CG2-CB 4.36Å; T212-F226 HydrophobicContact CG2-CD2 3.82Å; T212-F226 HydrophobicContact CG2-CE2 4.41Å; T212-F226 HydrophobicContact CG2-CG 4.13Å; T212-F240 HydrophobicContact CG2-CZ 4.02Å |
| 213 | L | 88.1 | Confident | 86.4 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58 | -41.1 | 175 | -76 | 165.6 | 0 | 0 | 0 | 112.4 | A209 I210 R217 K244 V247 D248 | A209-L213 WeakPolarHBondContact O-CG 3.44Å; A209-L213 PolarHBondContact O-N 3.2Å; I210-L213 PolarHBondContact O-N 3.14Å; L213-R217 WeakPolarHBondContact O-CD 3.45Å; L213-R217 VanDerWaalsContact O-CG 3.32Å; L213-R217 WeakPolarHBondContact O-CG 3.47Å; L213-R217 PolarHBondContact O-N 2.93Å; L213-K244 HydrophobicContact CD1-CG 4.27Å; L213-K244 HydrophobicContact CD2-CD 4.31Å; L213-K244 HydrophobicContact CD2-CG 4Å; L213-K244 HydrophobicContact CG-CG 3.94Å; L213-V247 HydrophobicContact CD1-CB 4.11Å; L213-V247 HydrophobicContact CD1-CG1 3.52Å; L213-D248 HydrophobicContact CD1-CB 4Å; L213-D248 HydrophobicContact CD2-CB 3.86Å |
| 214 | E | 84 | Confident | 86.1 | Confident | 33 Ų | 33 | 40 Ų | 40 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -78.6 | -31.1 | 177.5 | -59.4 | -66.9 | -176.6 | 0 | 0 | 112.7 | W185 Q188 I210 I211 T212 R217 L218 | W185-E214 HydrophobicContact CZ2-CB 4.36Å; Q188-E214 PolarHBondContact NE2-OE1 3.46Å; I210-E214 PolarHBondContact O-N 3Å; I211-E214 PolarHBondContact O-N 2.84Å; T212-E214 VanDerWaalsContact C-N 3.3Å; T212-E214 PolarHBondContact O-N 3.33Å; E214-R217 PolarHBondContact O-N 3.36Å; E214-R217 IonicContact OE1-NH1 3.89Å; E214-R217 PolarHBondContact OE1-NH1 3.11Å; E214-R217 VanDerWaalsContact OE2-CD 3.26Å; E214-R217 WeakPolarHBondContact OE2-CD 3.34Å; E214-R217 IonicContact OE2-CZ 3.17Å; E214-R217 IonicContact OE2-NE 3.68Å; E214-R217 IonicContact OE2-NH1 3.59Å; E214-R217 PolarHBondContact OE2-NH1 3.44Å; E214-L218 VanDerWaalsContact O-CB 3.31Å; E214-L218 WeakPolarHBondContact O-CB 3.45Å; E214-L218 WeakPolarHBondContact O-CD1 3.26Å; E214-L218 WeakPolarHBondContact O-CG 3.49Å; E214-L218 PolarHBondContact O-N 3.48Å; E214-L218 VanDerWaalsContact O-N 3.11Å |
| 215 | L | 82.9 | Confident | 85.7 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.7 | -39.3 | 172 | -76.2 | 172.7 | 0 | 0 | 0 | 112.3 | L160 I211 T212 R217 L218 T219 W222 V225 | L160-L215 HydrophobicContact CD1-CD1 4.32Å; L160-L215 HydrophobicContact CD2-CD1 4.03Å; L160-L215 HydrophobicContact CD2-CD2 4.44Å; I211-L215 HydrophobicContact CG2-CD1 3.77Å; I211-L215 HydrophobicContact CG2-CG 4.24Å; I211-L215 WeakPolarHBondContact O-CB 3.47Å; I211-L215 VanDerWaalsContact O-CG 3.27Å; I211-L215 WeakPolarHBondContact O-CG 3.24Å; I211-L215 PolarHBondContact O-N 3.2Å; T212-L215 PolarHBondContact O-N 2.94Å; L215-R217 VanDerWaalsContact C-N 3.28Å; L215-R217 PolarHBondContact O-N 3.27Å; L215-L218 PolarHBondContact O-N 3.05Å; L215-T219 HydrophobicContact CD2-CG2 4.33Å; L215-T219 PolarHBondContact O-N 3.26Å; L215-T219 PolarHBondContact O-OG1 3.14Å; L215-W222 HydrophobicContact CB-CB 4.18Å; L215-V225 HydrophobicContact CD1-CG1 4.29Å |
| 216 | E | 86.3 | Confident | 85.3 | Confident | 61 Ų | 61 | 41.1 Ų | 41.1 | 29% | 0.285 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.5 | -34.7 | 175.1 | -79.2 | 173.2 | -159.9 | 0 | 0 | 112.5 | T212 W222 K244 | T212-E216 HydrophobicContact CG2-CG 4.48Å; T212-E216 WeakPolarHBondContact CG2-OE1 3.33Å; T212-E216 WeakPolarHBondContact O-CB 3.19Å; T212-E216 WeakPolarHBondContact O-CG 3.49Å; T212-E216 PolarHBondContact O-N 2.86Å; E216-W222 HydrophobicContact CG-CD2 3.42Å; E216-W222 VanDerWaalsContact CG-CD2 3.42Å; E216-W222 HydrophobicContact CG-CE3 3.56Å; E216-W222 HydrophobicContact CG-CG 3.89Å; E216-W222 HydrophobicContact CG-CH2 4.14Å; E216-W222 HydrophobicContact CG-CZ2 4.04Å; E216-W222 HydrophobicContact CG-CZ3 3.91Å; E216-W222 WeakPolarHBondContact OE1-CH2 3.48Å; E216-W222 VanDerWaalsContact OE1-CZ3 3.26Å; E216-W222 WeakPolarHBondContact OE1-CZ3 3.43Å; E216-K244 IonicContact OE1-NZ 2.65Å; E216-K244 PolarHBondContact OE1-NZ 3.44Å; E216-K244 IonicContact OE2-NZ 2.65Å; E216-K244 PolarHBondContact OE2-NZ 3.45Å |
| 217 | R | 81.6 | Confident | 85 | Confident | 118 Ų | 118 | 42.5 Ų | 42.5 | 45% | 0.445 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -77.8 | -26.7 | 176.6 | -65.1 | 163.3 | -174 | 179.3 | -1.5 | 113.2 | L213 E214 L215 D248 | L213-R217 WeakPolarHBondContact O-CD 3.45Å; L213-R217 VanDerWaalsContact O-CG 3.32Å; L213-R217 WeakPolarHBondContact O-CG 3.47Å; L213-R217 PolarHBondContact O-N 2.93Å; E214-R217 PolarHBondContact O-N 3.36Å; E214-R217 IonicContact OE1-NH1 3.89Å; E214-R217 PolarHBondContact OE1-NH1 3.11Å; E214-R217 VanDerWaalsContact OE2-CD 3.26Å; E214-R217 WeakPolarHBondContact OE2-CD 3.34Å; E214-R217 IonicContact OE2-CZ 3.17Å; E214-R217 IonicContact OE2-NE 3.68Å; E214-R217 IonicContact OE2-NH1 3.59Å; E214-R217 PolarHBondContact OE2-NH1 3.44Å; L215-R217 VanDerWaalsContact C-N 3.28Å; L215-R217 PolarHBondContact O-N 3.27Å; R217-D248 IonicContact NH2-OD1 3.47Å; R217-D248 PolarHBondContact NH2-OD1 2.95Å |
| 218 | L | 73.4 | Confident | 84.7 | Confident | 97 Ų | 97 | 45.8 Ų | 45.8 | 51% | 0.508 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -106.3 | -22.4 | -169.5 | -68.3 | 172.2 | 0 | 0 | 0 | 115 | E214 L215 | E214-L218 VanDerWaalsContact O-CB 3.31Å; E214-L218 WeakPolarHBondContact O-CB 3.45Å; E214-L218 WeakPolarHBondContact O-CD1 3.26Å; E214-L218 WeakPolarHBondContact O-CG 3.49Å; E214-L218 PolarHBondContact O-N 3.48Å; E214-L218 VanDerWaalsContact O-N 3.11Å; L215-L218 PolarHBondContact O-N 3.05Å |
| 219 | T | 71.3 | Confident | 84.5 | Confident | 15 Ų | 15 | 46 Ų | 46 | 9% | 0.092 | 24% | 0.236 | C | C | . | . | trans | -140.5 | 133.9 | -166.3 | 66.3 | 0 | 0 | 0 | 0 | 112.9 | L167 L215 W222 | L167-T219 HydrophobicContact CD1-CG2 4.47Å; L167-T219 HydrophobicContact CD2-CG2 3.79Å; L215-T219 HydrophobicContact CD2-CG2 4.33Å; L215-T219 PolarHBondContact O-N 3.26Å; L215-T219 PolarHBondContact O-OG1 3.14Å; T219-W222 WeakPolarHBondContact OG1-CB 3.27Å | ||
| 220 | P | 73.6 | Confident | 84.4 | Confident | 111 Ų | 111 | 46.9 Ų | 46.9 | 72% | 0.721 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -33.7 | 178.2 | 29.1 | -34 | 0 | 0 | 0 | 112.6 | W222 | P220-W222 PolarHBondContact O-N 2.82Š|
| 221 | D | 78.2 | Confident | 84.4 | Confident | 110 Ų | 110 | 53.8 Ų | 53.8 | 59% | 0.588 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | 11.8 | -177.8 | -59.4 | -61.4 | 0 | 0 | 0 | 113.8 | F223 S224 | D221-F223 PolarHBondContact O-N 3.33Å; D221-S224 WeakPolarHBondContact O-CB 3.3Å; D221-S224 PolarHBondContact O-N 3.16Å |
| 222 | W | 84.1 | Confident | 84.3 | Confident | 73 Ų | 73 | 56 Ų | 56 | 28% | 0.277 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -47.7 | -37.7 | -172.5 | 69.1 | -92.7 | 0 | 0 | 0 | 113.4 | T212 L215 E216 T219 P220 S224 V225 F226 | T212-W222 HydrophobicContact CG2-CE3 4.25Å; T212-W222 HydrophobicContact CG2-CZ3 4.23Å; L215-W222 HydrophobicContact CB-CB 4.18Å; E216-W222 HydrophobicContact CG-CD2 3.42Å; E216-W222 VanDerWaalsContact CG-CD2 3.42Å; E216-W222 HydrophobicContact CG-CE3 3.56Å; E216-W222 HydrophobicContact CG-CG 3.89Å; E216-W222 HydrophobicContact CG-CH2 4.14Å; E216-W222 HydrophobicContact CG-CZ2 4.04Å; E216-W222 HydrophobicContact CG-CZ3 3.91Å; E216-W222 WeakPolarHBondContact OE1-CH2 3.48Å; E216-W222 VanDerWaalsContact OE1-CZ3 3.26Å; E216-W222 WeakPolarHBondContact OE1-CZ3 3.43Å; T219-W222 WeakPolarHBondContact OG1-CB 3.27Å; P220-W222 PolarHBondContact O-N 2.82Å; W222-S224 PolarHBondContact O-N 2.9Å; W222-V225 PolarHBondContact O-N 3.43Å; W222-F226 HydrophobicContact CE3-CB 4.12Å; W222-F226 HydrophobicContact CZ3-CB 4.39Å; W222-F226 HydrophobicContact CZ3-CD1 4.03Å; W222-F226 HydrophobicContact CZ3-CG 4.32Å; W222-F226 VanDerWaalsContact O-CB 3.26Å; W222-F226 WeakPolarHBondContact O-CB 3.38Å; W222-F226 PolarHBondContact O-N 3.13Å |
| 223 | F | 85.7 | Confident | 84.2 | Confident | 123 Ų | 123 | 56.2 Ų | 56.2 | 54% | 0.539 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | -176.1 | -172.8 | -97.5 | 0 | 0 | 0 | 113.1 | D221 F226 T227 | D221-F223 PolarHBondContact O-N 3.33Å; F223-F226 HydrophobicContact CD2-CD1 4.21Å; F223-F226 HydrophobicContact CE2-CD1 4.43Å; F223-T227 HydrophobicContact CD1-CG2 4.19Å; F223-T227 HydrophobicContact CD2-CG2 4.45Å; F223-T227 HydrophobicContact CE1-CG2 3.81Å; F223-T227 HydrophobicContact CE2-CG2 4.11Å; F223-T227 HydrophobicContact CG-CG2 4.5Å; F223-T227 HydrophobicContact CZ-CG2 3.77Å; F223-T227 WeakPolarHBondContact O-CB 3.44Å; F223-T227 VanDerWaalsContact O-CG2 3.3Å; F223-T227 WeakPolarHBondContact O-CG2 3.48Å; F223-T227 PolarHBondContact O-N 3.26Å; F223-T227 PolarHBondContact O-OG1 2.94Å |
| 224 | S | 85.9 | Confident | 84.3 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 175.9 | -171 | 0 | 0 | 0 | 0 | 110.4 | D221 W222 T227 D228 | D221-S224 WeakPolarHBondContact O-CB 3.3Å; D221-S224 PolarHBondContact O-N 3.16Å; W222-S224 PolarHBondContact O-N 2.9Å; S224-T227 PolarHBondContact O-N 2.99Å; S224-T227 PolarHBondContact O-OG1 2.92Å; S224-D228 PolarHBondContact O-N 3.04Å |
| 225 | V | 84.6 | Confident | 84.5 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.7 | -48.2 | 179.5 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | L160 L167 L215 W222 T227 D228 L229 | L160-V225 HydrophobicContact CD2-CG1 3.14Å; L167-V225 HydrophobicContact CD1-CG2 4.16Å; L215-V225 HydrophobicContact CD1-CG1 4.29Å; W222-V225 PolarHBondContact O-N 3.43Å; V225-T227 PolarHBondContact O-N 3.12Å; V225-D228 PolarHBondContact O-N 3.29Å; V225-L229 PolarHBondContact O-N 3.46Å |
| 226 | F | 86.8 | Confident | 84.7 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 10% | 0.096 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.5 | -48 | 174.8 | 161 | -112.4 | 0 | 0 | 0 | 111.8 | T212 W222 F223 D228 L229 L230 F240 | T212-F226 HydrophobicContact CG2-CB 4.36Å; T212-F226 HydrophobicContact CG2-CD2 3.82Å; T212-F226 HydrophobicContact CG2-CE2 4.41Å; T212-F226 HydrophobicContact CG2-CG 4.13Å; W222-F226 HydrophobicContact CE3-CB 4.12Å; W222-F226 HydrophobicContact CZ3-CB 4.39Å; W222-F226 HydrophobicContact CZ3-CD1 4.03Å; W222-F226 HydrophobicContact CZ3-CG 4.32Å; W222-F226 VanDerWaalsContact O-CB 3.26Å; W222-F226 WeakPolarHBondContact O-CB 3.38Å; W222-F226 PolarHBondContact O-N 3.13Å; F223-F226 HydrophobicContact CD2-CD1 4.21Å; F223-F226 HydrophobicContact CE2-CD1 4.43Å; F226-D228 VanDerWaalsContact C-N 3.27Å; F226-D228 PolarHBondContact O-N 2.78Å; F226-L229 PolarHBondContact O-N 2.98Å; F226-L230 HydrophobicContact CE1-CD2 4.43Å; F226-L230 HydrophobicContact CE2-CB 4.15Å; F226-L230 HydrophobicContact CE2-CD1 4.03Å; F226-L230 HydrophobicContact CE2-CD2 4.28Å; F226-L230 HydrophobicContact CE2-CG 4.39Å; F226-L230 HydrophobicContact CZ-CB 4.46Å; F226-L230 HydrophobicContact CZ-CD1 4.29Å; F226-L230 HydrophobicContact CZ-CD2 3.83Å; F226-L230 HydrophobicContact CZ-CG 4.43Å; F226-L230 VanDerWaalsContact O-CB 3.28Å; F226-L230 WeakPolarHBondContact O-CB 3.5Å; F226-L230 PolarHBondContact O-N 3.41Å; F226-F240 HydrophobicContact CD2-CE1 4.32Å; F226-F240 HydrophobicContact CD2-CZ 4.08Å; F226-F240 AromaticContact CE2-CD1 3.83Å; F226-F240 HydrophobicContact CE2-CD1 3.83Å; F226-F240 HydrophobicContact CE2-CD2 4.38Å; F226-F240 AromaticContact CE2-CE1 3.3Å; F226-F240 HydrophobicContact CE2-CE1 3.3Å; F226-F240 AromaticContact CE2-CE2 3.92Å; F226-F240 HydrophobicContact CE2-CE2 3.92Å; F226-F240 HydrophobicContact CE2-CG 4.35Å; F226-F240 AromaticContact CE2-CZ 3.36Å; F226-F240 HydrophobicContact CE2-CZ 3.36Å; F226-F240 AromaticContact CZ-CD1 3.79Å; F226-F240 HydrophobicContact CZ-CD1 3.79Å; F226-F240 AromaticContact CZ-CE1 3.49Å; F226-F240 HydrophobicContact CZ-CE1 3.49Å; F226-F240 VanDerWaalsContact CZ-CE1 3.49Å; F226-F240 HydrophobicContact CZ-CZ 4.06Å |
| 227 | T | 87.4 | Confident | 84.8 | Confident | 33 Ų | 33 | 69 Ų | 69 | 20% | 0.202 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -74.3 | -12.2 | -178.1 | 60.3 | 0 | 0 | 0 | 0 | 114.3 | F223 S224 V225 K231 | F223-T227 HydrophobicContact CD1-CG2 4.19Å; F223-T227 HydrophobicContact CD2-CG2 4.45Å; F223-T227 HydrophobicContact CE1-CG2 3.81Å; F223-T227 HydrophobicContact CE2-CG2 4.11Å; F223-T227 HydrophobicContact CG-CG2 4.5Å; F223-T227 HydrophobicContact CZ-CG2 3.77Å; F223-T227 WeakPolarHBondContact O-CB 3.44Å; F223-T227 VanDerWaalsContact O-CG2 3.3Å; F223-T227 WeakPolarHBondContact O-CG2 3.48Å; F223-T227 PolarHBondContact O-N 3.26Å; F223-T227 PolarHBondContact O-OG1 2.94Å; S224-T227 PolarHBondContact O-N 2.99Å; S224-T227 PolarHBondContact O-OG1 2.92Å; V225-T227 PolarHBondContact O-N 3.12Å; T227-K231 WeakPolarHBondContact O-CD 3.37Å; T227-K231 WeakPolarHBondContact O-CE 3.46Å; T227-K231 WeakPolarHBondContact O-CG 3.31Å; T227-K231 PolarHBondContact O-NZ 3.02Å |
| 228 | D | 88.1 | Confident | 85.2 | Confident | 70 Ų | 70 | 71.1 Ų | 71.1 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -82.3 | -49 | 166.1 | -175.1 | 51.6 | 0 | 0 | 0 | 110.9 | S224 V225 F226 L230 K231 K232 | S224-D228 PolarHBondContact O-N 3.04Å; V225-D228 PolarHBondContact O-N 3.29Å; F226-D228 VanDerWaalsContact C-N 3.27Å; F226-D228 PolarHBondContact O-N 2.78Å; D228-L230 PolarHBondContact O-N 3.28Å; D228-K231 PolarHBondContact O-N 3.11Å; D228-K232 WeakPolarHBondContact O-CG 3.5Å; D228-K232 PolarHBondContact O-N 3.41Å; D228-K232 WeakPolarHBondContact OD1-CE 3.36Å; D228-K232 WeakPolarHBondContact OD2-CE 3.18Å; D228-K232 IonicContact OD2-NZ 3.28Å |
| 229 | L | 89 | Confident | 85.9 | Confident | 4 Ų | 4 | 68.8 Ų | 68.8 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.5 | -44 | 176.7 | -69.5 | -178.8 | 0 | 0 | 0 | 112.7 | F156 L159 L160 L208 V225 F226 K231 K232 A233 | F156-L229 HydrophobicContact CD1-CD2 4.1Å; L159-L229 HydrophobicContact CB-CD2 4.07Å; L159-L229 HydrophobicContact CD1-CD2 4.27Å; L160-L229 HydrophobicContact CD2-CD1 3.89Å; L160-L229 HydrophobicContact CG-CD1 4.13Å; L208-L229 HydrophobicContact CD1-CB 3.75Å; L208-L229 HydrophobicContact CD1-CD1 3.97Å; V225-L229 PolarHBondContact O-N 3.46Å; F226-L229 PolarHBondContact O-N 2.98Å; L229-K231 VanDerWaalsContact C-N 3.3Å; L229-K231 PolarHBondContact O-N 3.22Å; L229-K232 PolarHBondContact O-N 2.81Å; L229-A233 VanDerWaalsContact O-CB 3.27Å; L229-A233 WeakPolarHBondContact O-CB 3.47Å; L229-A233 PolarHBondContact O-N 3.48Å |
| 230 | L | 90.9 | Very high | 86.9 | Confident | 19 Ų | 19 | 68.4 Ų | 68.4 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 178 | -172.1 | 77.5 | 0 | 0 | 0 | 111.9 | L208 F226 D228 Q234 I235 F240 | L208-L230 HydrophobicContact CD2-CB 4.25Å; L208-L230 HydrophobicContact CD2-CD1 3.81Å; F226-L230 HydrophobicContact CE1-CD2 4.43Å; F226-L230 HydrophobicContact CE2-CB 4.15Å; F226-L230 HydrophobicContact CE2-CD1 4.03Å; F226-L230 HydrophobicContact CE2-CD2 4.28Å; F226-L230 HydrophobicContact CE2-CG 4.39Å; F226-L230 HydrophobicContact CZ-CB 4.46Å; F226-L230 HydrophobicContact CZ-CD1 4.29Å; F226-L230 HydrophobicContact CZ-CD2 3.83Å; F226-L230 HydrophobicContact CZ-CG 4.43Å; F226-L230 VanDerWaalsContact O-CB 3.28Å; F226-L230 WeakPolarHBondContact O-CB 3.5Å; F226-L230 PolarHBondContact O-N 3.41Å; D228-L230 PolarHBondContact O-N 3.28Å; L230-Q234 PolarHBondContact O-N 3.23Å; L230-Q234 VanDerWaalsContact O-N 3.1Å; L230-I235 HydrophobicContact CD1-CB 3.91Å; L230-I235 HydrophobicContact CD1-CG2 4.17Å; L230-I235 PolarHBondContact O-N 3.42Å; L230-F240 HydrophobicContact CD1-CB 4.2Å; L230-F240 HydrophobicContact CD1-CD2 4.25Å; L230-F240 HydrophobicContact CD1-CG 4.09Å |
| 231 | K | 90.3 | Very high | 87.8 | Confident | 145 Ų | 145 | 67.2 Ų | 67.2 | 63% | 0.63 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.2 | -45.4 | 176.7 | -71.4 | 169.8 | -164 | 134.4 | 0 | 111.5 | T227 D228 L229 A233 Q234 | T227-K231 WeakPolarHBondContact O-CD 3.37Å; T227-K231 WeakPolarHBondContact O-CE 3.46Å; T227-K231 WeakPolarHBondContact O-CG 3.31Å; T227-K231 PolarHBondContact O-NZ 3.02Å; D228-K231 PolarHBondContact O-N 3.11Å; L229-K231 VanDerWaalsContact C-N 3.3Å; L229-K231 PolarHBondContact O-N 3.22Å; K231-A233 VanDerWaalsContact C-N 3.29Å; K231-A233 PolarHBondContact O-N 3.26Å; K231-Q234 PolarHBondContact O-N 3.38Å |
| 232 | K | 88.3 | Confident | 88.4 | Confident | 48 Ų | 48 | 66.6 Ų | 66.6 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.4 | -38.2 | 176.3 | -69.6 | 171.2 | -174.1 | -76.2 | 0 | 112 | V13 L16 D228 L229 Q234 | V13-K232 HydrophobicContact CG2-CD 4.35Å; L16-K232 HydrophobicContact CD2-CB 3.84Å; D228-K232 WeakPolarHBondContact O-CG 3.5Å; D228-K232 PolarHBondContact O-N 3.41Å; D228-K232 WeakPolarHBondContact OD1-CE 3.36Å; D228-K232 WeakPolarHBondContact OD2-CE 3.18Å; D228-K232 IonicContact OD2-NZ 3.28Å; L229-K232 PolarHBondContact O-N 2.81Å; K232-Q234 VanDerWaalsContact C-N 3.33Å |
| 233 | A | 88.3 | Confident | 88.8 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 3% | 0.033 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -78.9 | -12.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | F156 L229 K231 I235 | F156-A233 HydrophobicContact CE1-CB 4.09Å; F156-A233 HydrophobicContact CZ-CB 3.89Å; L229-A233 VanDerWaalsContact O-CB 3.27Å; L229-A233 WeakPolarHBondContact O-CB 3.47Å; L229-A233 PolarHBondContact O-N 3.48Å; K231-A233 VanDerWaalsContact C-N 3.29Å; K231-A233 PolarHBondContact O-N 3.26Å; A233-I235 HydrophobicContact CB-CD1 3.5Å; A233-I235 HydrophobicContact CB-CG1 3.86Å; A233-I235 PolarHBondContact O-N 2.92Å |
| 234 | Q | 88.7 | Confident | 89.2 | Confident | 152 Ų | 152 | 59.4 Ų | 59.4 | 71% | 0.71 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 25 | -179.3 | -48.9 | -176.9 | 30.9 | 0 | 0 | 114.5 | L230 K231 K232 | L230-Q234 PolarHBondContact O-N 3.23Å; L230-Q234 VanDerWaalsContact O-N 3.1Å; K231-Q234 PolarHBondContact O-N 3.38Å; K232-Q234 VanDerWaalsContact C-N 3.33Å |
| 235 | I | 88.3 | Confident | 89.6 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | trans | -79.6 | 140.4 | -177.3 | -62.9 | 158.3 | 0 | 0 | 0 | 110.3 | T205 L208 L230 A233 F240 | T205-I235 HydrophobicContact CG2-CG2 4.12Å; L208-I235 HydrophobicContact CB-CD1 4.23Å; L208-I235 HydrophobicContact CD2-CD1 3.7Å; L230-I235 HydrophobicContact CD1-CB 3.91Å; L230-I235 HydrophobicContact CD1-CG2 4.17Å; L230-I235 PolarHBondContact O-N 3.42Å; A233-I235 HydrophobicContact CB-CD1 3.5Å; A233-I235 HydrophobicContact CB-CG1 3.86Å; A233-I235 PolarHBondContact O-N 2.92Å; I235-F240 HydrophobicContact CG2-CB 3.93Å | ||
| 236 | Q | 88.3 | Confident | 89.9 | Confident | 137 Ų | 137 | 62.6 Ų | 62.6 | 64% | 0.64 | 31% | 0.306 | S | S | * | . | trans | -76.8 | 130.7 | 175.9 | -60.4 | -172.5 | 17.3 | 0 | 0 | 111.3 | M238 E239 F240 | Q236-M238 PolarHBondContact O-N 3.25Å; Q236-M238 VanDerWaalsContact O-N 3.13Å; Q236-E239 HydrophobicContact CB-CB 4.33Å; Q236-E239 WeakPolarHBondContact O-CB 3.46Å; Q236-E239 PolarHBondContact O-N 2.91Å; Q236-E239 VanDerWaalsContact O-N 3.07Å; Q236-F240 PolarHBondContact O-N 3.42Å | ||
| 237 | S | 88 | Confident | 90.1 | Very high | 69 Ų | 69 | 61.5 Ų | 61.5 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.4 | -32.6 | -175 | -45.5 | 0 | 0 | 0 | 0 | 114.4 | I241 | S237-I241 WeakPolarHBondContact O-CB 3.23Å; S237-I241 WeakPolarHBondContact O-CD1 3.49Å; S237-I241 WeakPolarHBondContact O-CG1 3.38Å; S237-I241 PolarHBondContact O-N 2.77Å |
| 238 | M | 89.2 | Confident | 90.3 | Very high | 163 Ų | 163 | 62.8 Ų | 62.8 | 80% | 0.803 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -71.9 | -40.9 | 177 | -68.2 | -169.3 | -108.1 | 0 | 0 | 112.7 | Q236 F240 H242 | Q236-M238 PolarHBondContact O-N 3.25Å; Q236-M238 VanDerWaalsContact O-N 3.13Å; M238-F240 VanDerWaalsContact C-N 3.3Å; M238-H242 PolarHBondContact O-N 3.36Å |
| 239 | E | 88.6 | Confident | 90.4 | Very high | 49 Ų | 49 | 66.2 Ų | 66.2 | 23% | 0.229 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 173.3 | -166.9 | -164.7 | 133.1 | 0 | 0 | 109.9 | F201 K202 T205 Q236 C243 | F201-E239 HydrophobicContact CD1-CG 4.33Å; K202-E239 IonicContact NZ-OE1 2.69Å; K202-E239 IonicContact NZ-OE2 3.96Å; K202-E239 PolarHBondContact NZ-OE2 3.26Å; K202-E239 VanDerWaalsContact NZ-OE2 3.15Å; T205-E239 HydrophobicContact CG2-CG 4.37Å; T205-E239 PolarHBondContact OG1-OE1 3.32Å; Q236-E239 HydrophobicContact CB-CB 4.33Å; Q236-E239 WeakPolarHBondContact O-CB 3.46Å; Q236-E239 PolarHBondContact O-N 2.91Å; Q236-E239 VanDerWaalsContact O-N 3.07Å; E239-C243 VanDerWaalsContact O-CB 3.29Å; E239-C243 WeakPolarHBondContact O-CB 3.43Å; E239-C243 PolarHBondContact O-N 2.97Å |
| 240 | F | 92.6 | Very high | 90.4 | Very high | 7 Ų | 7 | 68 Ų | 68 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64 | -50 | 178.1 | 175.8 | -94.6 | 0 | 0 | 0 | 113.5 | L208 A209 T212 F226 L230 I235 Q236 M238 H242 C243 K244 | L208-F240 HydrophobicContact CB-CE2 4.25Å; L208-F240 HydrophobicContact CD2-CD2 4.23Å; L208-F240 HydrophobicContact CD2-CE2 4.14Å; L208-F240 HydrophobicContact CG-CD2 4.36Å; L208-F240 HydrophobicContact CG-CE2 3.85Å; A209-F240 HydrophobicContact CB-CE2 4.2Å; T212-F240 HydrophobicContact CG2-CZ 4.02Å; F226-F240 HydrophobicContact CD2-CE1 4.32Å; F226-F240 HydrophobicContact CD2-CZ 4.08Å; F226-F240 AromaticContact CE2-CD1 3.83Å; F226-F240 HydrophobicContact CE2-CD1 3.83Å; F226-F240 HydrophobicContact CE2-CD2 4.38Å; F226-F240 AromaticContact CE2-CE1 3.3Å; F226-F240 HydrophobicContact CE2-CE1 3.3Å; F226-F240 AromaticContact CE2-CE2 3.92Å; F226-F240 HydrophobicContact CE2-CE2 3.92Å; F226-F240 HydrophobicContact CE2-CG 4.35Å; F226-F240 AromaticContact CE2-CZ 3.36Å; F226-F240 HydrophobicContact CE2-CZ 3.36Å; F226-F240 AromaticContact CZ-CD1 3.79Å; F226-F240 HydrophobicContact CZ-CD1 3.79Å; F226-F240 AromaticContact CZ-CE1 3.49Å; F226-F240 HydrophobicContact CZ-CE1 3.49Å; F226-F240 VanDerWaalsContact CZ-CE1 3.49Å; F226-F240 HydrophobicContact CZ-CZ 4.06Å; L230-F240 HydrophobicContact CD1-CB 4.2Å; L230-F240 HydrophobicContact CD1-CD2 4.25Å; L230-F240 HydrophobicContact CD1-CG 4.09Å; I235-F240 HydrophobicContact CG2-CB 3.93Å; Q236-F240 PolarHBondContact O-N 3.42Å; M238-F240 VanDerWaalsContact C-N 3.3Å; F240-H242 VanDerWaalsContact C-N 3.35Å; F240-H242 PolarHBondContact O-N 3.42Å; F240-C243 PolarHBondContact O-N 3.02Å; F240-K244 HydrophobicContact CE1-CB 4.37Å; F240-K244 HydrophobicContact CE1-CD 4.27Å; F240-K244 HydrophobicContact CZ-CB 4.39Å; F240-K244 HydrophobicContact CZ-CD 4.43Å; F240-K244 WeakPolarHBondContact O-CB 3.42Å; F240-K244 PolarHBondContact O-N 2.73Å |
| 241 | I | 91.9 | Very high | 90.2 | Very high | 86 Ų | 86 | 67.5 Ų | 67.5 | 44% | 0.441 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.1 | -48.6 | -178.1 | -72.4 | 162.1 | 0 | 0 | 0 | 110 | S237 C243 K244 E245 | S237-I241 WeakPolarHBondContact O-CB 3.23Å; S237-I241 WeakPolarHBondContact O-CD1 3.49Å; S237-I241 WeakPolarHBondContact O-CG1 3.38Å; S237-I241 PolarHBondContact O-N 2.77Å; I241-C243 PolarHBondContact O-N 2.86Å; I241-K244 WeakPolarHBondContact O-CB 3.39Å; I241-K244 PolarHBondContact O-N 3.36Å; I241-E245 HydrophobicContact CG2-CG 4.47Å; I241-E245 WeakPolarHBondContact CG2-OE1 3.18Å; I241-E245 WeakPolarHBondContact O-CG 3.43Å; I241-E245 PolarHBondContact O-N 3.02Å |
| 242 | H | 92.1 | Very high | 90 | Very high | 96 Ų | 96 | 63 Ų | 63 | 44% | 0.444 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 179 | -175.8 | 36.5 | 0 | 0 | 0 | 112.1 | F201 M238 F240 K244 E245 M246 | F201-H242 AromaticContact CZ-CD2 3.8Å; M238-H242 PolarHBondContact O-N 3.36Å; F240-H242 VanDerWaalsContact C-N 3.35Å; F240-H242 PolarHBondContact O-N 3.42Å; H242-K244 PolarHBondContact O-N 2.95Å; H242-E245 PolarHBondContact O-N 3.24Å; H242-M246 VanDerWaalsContact CE1-SD 3.58Å; H242-M246 WeakPolarHBondContact O-CG 3.31Å; H242-M246 PolarHBondContact O-N 2.95Å; H242-M246 VanDerWaalsContact O-N 3.11Å |
| 243 | C | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 174.3 | -170.5 | 0 | 0 | 0 | 0 | 111.6 | F201 T205 E239 F240 I241 M246 V247 | F201-C243 HydrophobicContact CD1-CB 3.6Å; F201-C243 HydrophobicContact CD2-CB 4.22Å; F201-C243 HydrophobicContact CE1-CB 3.63Å; F201-C243 HydrophobicContact CE2-CB 4.25Å; F201-C243 HydrophobicContact CG-CB 3.91Å; F201-C243 VanDerWaalsContact CG-SG 3.51Å; F201-C243 HydrophobicContact CZ-CB 3.97Å; T205-C243 HydrophobicContact CG2-CB 3.66Å; E239-C243 VanDerWaalsContact O-CB 3.29Å; E239-C243 WeakPolarHBondContact O-CB 3.43Å; E239-C243 PolarHBondContact O-N 2.97Å; F240-C243 PolarHBondContact O-N 3.02Å; I241-C243 PolarHBondContact O-N 2.86Å; C243-M246 PolarHBondContact O-N 3.02Å; C243-V247 WeakPolarHBondContact O-CB 3.26Å; C243-V247 VanDerWaalsContact O-CG2 3.26Å; C243-V247 WeakPolarHBondContact O-CG2 3.32Å; C243-V247 PolarHBondContact O-N 3.26Å |
| 244 | K | 93.3 | Very high | 89 | Confident | 45 Ų | 45 | 65.5 Ų | 65.5 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 178.8 | -172.3 | -160.9 | 166 | -171.5 | 0 | 111.9 | A209 L213 E216 F240 I241 H242 M246 V247 D248 | A209-K244 HydrophobicContact CB-CB 4.3Å; L213-K244 HydrophobicContact CD1-CG 4.27Å; L213-K244 HydrophobicContact CD2-CD 4.31Å; L213-K244 HydrophobicContact CD2-CG 4Å; L213-K244 HydrophobicContact CG-CG 3.94Å; E216-K244 IonicContact OE1-NZ 2.65Å; E216-K244 PolarHBondContact OE1-NZ 3.44Å; E216-K244 IonicContact OE2-NZ 2.65Å; E216-K244 PolarHBondContact OE2-NZ 3.45Å; F240-K244 HydrophobicContact CE1-CB 4.37Å; F240-K244 HydrophobicContact CE1-CD 4.27Å; F240-K244 HydrophobicContact CZ-CB 4.39Å; F240-K244 HydrophobicContact CZ-CD 4.43Å; F240-K244 WeakPolarHBondContact O-CB 3.42Å; F240-K244 PolarHBondContact O-N 2.73Å; I241-K244 WeakPolarHBondContact O-CB 3.39Å; I241-K244 PolarHBondContact O-N 3.36Å; H242-K244 PolarHBondContact O-N 2.95Å; K244-M246 PolarHBondContact O-N 3.36Å; K244-V247 PolarHBondContact O-N 2.93Å; K244-D248 PolarHBondContact O-N 3.49Å |
| 245 | E | 93.3 | Very high | 87.8 | Confident | 118 Ų | 118 | 63.9 Ų | 63.9 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.3 | -47.3 | 177.4 | -71.2 | 166.8 | 166.7 | 0 | 0 | 111.4 | I241 H242 V247 D248 E249 | I241-E245 HydrophobicContact CG2-CG 4.47Å; I241-E245 WeakPolarHBondContact CG2-OE1 3.18Å; I241-E245 WeakPolarHBondContact O-CG 3.43Å; I241-E245 PolarHBondContact O-N 3.02Å; H242-E245 PolarHBondContact O-N 3.24Å; E245-V247 PolarHBondContact O-N 3.47Å; E245-D248 PolarHBondContact O-N 3.04Å; E245-E249 PolarHBondContact O-N 3.17Å |
| 246 | M | 91.2 | Very high | 85.8 | Confident | 32 Ų | 32 | 71.4 Ų | 71.4 | 16% | 0.158 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67 | -33.9 | 177.9 | -65.1 | -159.7 | 79.8 | 0 | 0 | 113.3 | Q197 L198 F201 H242 C243 K244 Y250 | Q197-M246 HydrophobicContact CB-CE 3.66Å; Q197-M246 HydrophobicContact CG-CE 4Å; L198-M246 HydrophobicContact CD2-CB 3.61Å; F201-M246 HydrophobicContact CE2-SD 4.07Å; F201-M246 HydrophobicContact CZ-SD 4.17Å; H242-M246 VanDerWaalsContact CE1-SD 3.58Å; H242-M246 WeakPolarHBondContact O-CG 3.31Å; H242-M246 PolarHBondContact O-N 2.95Å; H242-M246 VanDerWaalsContact O-N 3.11Å; C243-M246 PolarHBondContact O-N 3.02Å; K244-M246 PolarHBondContact O-N 3.36Å; M246-Y250 WeakPolarHBondContact O-CB 3.46Å; M246-Y250 PolarHBondContact O-N 3.42Å |
| 247 | V | 92.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 174.8 | 168.4 | 0 | 0 | 0 | 0 | 110.7 | L198 L206 A209 I210 L213 C243 K244 E245 Y250 L251 | L198-V247 HydrophobicContact CD1-CG2 4.19Å; L198-V247 HydrophobicContact CD2-CG2 3.76Å; L206-V247 HydrophobicContact CD1-CG2 3.56Å; A209-V247 HydrophobicContact CB-CG2 4.3Å; I210-V247 HydrophobicContact CD1-CG1 4.45Å; I210-V247 HydrophobicContact CG1-CG1 3.56Å; I210-V247 HydrophobicContact CG1-CG2 4.49Å; L213-V247 HydrophobicContact CD1-CB 4.11Å; L213-V247 HydrophobicContact CD1-CG1 3.52Å; C243-V247 WeakPolarHBondContact O-CB 3.26Å; C243-V247 VanDerWaalsContact O-CG2 3.26Å; C243-V247 WeakPolarHBondContact O-CG2 3.32Å; C243-V247 PolarHBondContact O-N 3.26Å; K244-V247 PolarHBondContact O-N 2.93Å; E245-V247 PolarHBondContact O-N 3.47Å; V247-Y250 PolarHBondContact O-N 3.28Å; V247-L251 HydrophobicContact CG1-CD1 3.66Å; V247-L251 HydrophobicContact CG1-CG 4.16Å; V247-L251 WeakPolarHBondContact O-CB 3.08Å; V247-L251 VanDerWaalsContact O-CG 3.31Å; V247-L251 WeakPolarHBondContact O-CG 3.48Å; V247-L251 PolarHBondContact O-N 3.23Å |
| 248 | D | 91 | Very high | 81.7 | Confident | 60 Ų | 60 | 68.7 Ų | 68.7 | 32% | 0.321 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.3 | -42.4 | -178.3 | -161.6 | 49.4 | 0 | 0 | 0 | 111.4 | L213 R217 K244 E245 T252 | L213-D248 HydrophobicContact CD1-CB 4Å; L213-D248 HydrophobicContact CD2-CB 3.86Å; R217-D248 IonicContact NH2-OD1 3.47Å; R217-D248 PolarHBondContact NH2-OD1 2.95Å; K244-D248 PolarHBondContact O-N 3.49Å; E245-D248 PolarHBondContact O-N 3.04Å; D248-T252 WeakPolarHBondContact O-CB 3.26Å; D248-T252 PolarHBondContact O-N 2.99Å; D248-T252 PolarHBondContact O-OG1 2.79Å |
| 249 | E | 90.8 | Very high | 79 | Confident | 142 Ų | 142 | 66 Ų | 66 | 66% | 0.664 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.7 | -47.4 | 172.1 | -176.2 | 177.4 | -160.6 | 0 | 0 | 111.4 | E245 T252 S253 | E245-E249 PolarHBondContact O-N 3.17Å; E249-T252 PolarHBondContact O-N 3.29Å; E249-S253 WeakPolarHBondContact O-CB 3.26Å; E249-S253 PolarHBondContact O-N 3.24Å |
| 250 | Y | 88.8 | Confident | 76.5 | Confident | 40 Ų | 40 | 68.7 Ų | 68.7 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.1 | -49.9 | -179.3 | 179.9 | -105.6 | 0 | 0 | 0 | 112.5 | H191 C195 L198 M246 V247 S253 L254 | H191-Y250 HydrophobicContact CB-CE1 4.29Å; H191-Y250 PolarHBondContact O-OH 3.15Å; C195-Y250 HydrophobicContact CB-CD2 4.18Å; C195-Y250 HydrophobicContact CB-CE1 4.27Å; C195-Y250 HydrophobicContact CB-CE2 3.8Å; L198-Y250 HydrophobicContact CD1-CD1 3.6Å; L198-Y250 HydrophobicContact CD1-CE1 4.37Å; L198-Y250 HydrophobicContact CD1-CG 3.78Å; M246-Y250 WeakPolarHBondContact O-CB 3.46Å; M246-Y250 PolarHBondContact O-N 3.42Å; V247-Y250 PolarHBondContact O-N 3.28Å; Y250-S253 PolarHBondContact O-N 3.28Å; Y250-S253 PolarHBondContact O-OG 3.45Å; Y250-L254 PolarHBondContact O-N 2.96Å |
| 251 | L | 86.7 | Confident | 73.7 | Confident | 10 Ų | 10 | 76.3 Ų | 76.3 | 5% | 0.052 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 178.6 | -68.8 | 178.2 | 0 | 0 | 0 | 111.4 | Q188 V247 S253 L254 E255 | Q188-L251 HydrophobicContact CB-CD2 4.28Å; Q188-L251 HydrophobicContact CG-CD1 4.36Å; Q188-L251 HydrophobicContact CG-CD2 4.15Å; V247-L251 HydrophobicContact CG1-CD1 3.66Å; V247-L251 HydrophobicContact CG1-CG 4.16Å; V247-L251 WeakPolarHBondContact O-CB 3.08Å; V247-L251 VanDerWaalsContact O-CG 3.31Å; V247-L251 WeakPolarHBondContact O-CG 3.48Å; V247-L251 PolarHBondContact O-N 3.23Å; L251-S253 PolarHBondContact O-N 2.87Å; L251-L254 WeakPolarHBondContact O-CB 3.42Å; L251-L254 PolarHBondContact O-N 3.42Å; L251-E255 PolarHBondContact O-N 2.86Å |
| 252 | T | 85.9 | Confident | 71.2 | Confident | 49 Ų | 49 | 74.6 Ų | 74.6 | 30% | 0.301 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 174.6 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | D248 E249 L254 E255 F256 | D248-T252 WeakPolarHBondContact O-CB 3.26Å; D248-T252 PolarHBondContact O-N 2.99Å; D248-T252 PolarHBondContact O-OG1 2.79Å; E249-T252 PolarHBondContact O-N 3.29Å; T252-L254 VanDerWaalsContact C-N 3.29Å; T252-L254 PolarHBondContact O-N 3.34Å; T252-E255 PolarHBondContact O-N 3.01Å; T252-F256 HydrophobicContact CG2-CD2 3.64Å; T252-F256 HydrophobicContact CG2-CE2 3.52Å; T252-F256 VanDerWaalsContact O-CD2 3.26Å; T252-F256 WeakPolarHBondContact O-CD2 3.46Å; T252-F256 PolarHBondContact O-N 2.9Å |
| 253 | S | 83.6 | Confident | 68.7 | Low | 66 Ų | 66 | 77.2 Ų | 77.2 | 46% | 0.462 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.5 | -34.7 | 175.9 | 79.9 | 0 | 0 | 0 | 0 | 112.8 | E249 Y250 L251 S257 | E249-S253 WeakPolarHBondContact O-CB 3.26Å; E249-S253 PolarHBondContact O-N 3.24Å; Y250-S253 PolarHBondContact O-N 3.28Å; Y250-S253 PolarHBondContact O-OG 3.45Å; L251-S253 PolarHBondContact O-N 2.87Å; S253-S257 PolarHBondContact O-N 3.42Å |
| 254 | L | 72.4 | Confident | 66.3 | Low | 40 Ų | 40 | 84 Ų | 84 | 21% | 0.209 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -70.8 | -40.8 | 176.7 | -172.3 | 63.5 | 0 | 0 | 0 | 111.2 | H191 Y250 L251 T252 S257 | H191-L254 HydrophobicContact CB-CD2 4.12Å; Y250-L254 PolarHBondContact O-N 2.96Å; L251-L254 WeakPolarHBondContact O-CB 3.42Å; L251-L254 PolarHBondContact O-N 3.42Å; T252-L254 VanDerWaalsContact C-N 3.29Å; T252-L254 PolarHBondContact O-N 3.34Å; L254-S257 WeakPolarHBondContact O-CB 3.13Å; L254-S257 PolarHBondContact O-N 3.44Å; L254-S257 PolarHBondContact O-OG 3.11Å |
| 255 | E | 62.9 | Low | 64.1 | Low | 118 Ų | 118 | 89.4 Ų | 89.4 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 173.6 | -72.4 | -177.4 | -170 | 0 | 0 | 112 | L251 T252 S257 L258 | L251-E255 PolarHBondContact O-N 2.86Å; T252-E255 PolarHBondContact O-N 3.01Å; E255-S257 PolarHBondContact O-N 3.39Å; E255-L258 PolarHBondContact O-N 3.08Å; E255-L258 VanDerWaalsContact O-N 3.08Å |
| 256 | F | 45.5 | Very low | 61.5 | Low | 173 Ų | 173 | 88.6 Ų | 88.6 | 76% | 0.759 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.6 | -18.2 | 175.3 | -83.3 | -63.4 | 0 | 0 | 0 | 114.4 | T252 L258 | T252-F256 HydrophobicContact CG2-CD2 3.64Å; T252-F256 HydrophobicContact CG2-CE2 3.52Å; T252-F256 VanDerWaalsContact O-CD2 3.26Å; T252-F256 WeakPolarHBondContact O-CD2 3.46Å; T252-F256 PolarHBondContact O-N 2.9Å; F256-L258 PolarHBondContact O-N 2.65Å |
| 257 | S | 47.8 | Very low | 58.9 | Low | 77 Ų | 77 | 91.6 Ų | 91.6 | 54% | 0.538 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -9 | 173 | 80.4 | 0 | 0 | 0 | 0 | 113.7 | S253 L254 E255 | S253-S257 PolarHBondContact O-N 3.42Å; L254-S257 WeakPolarHBondContact O-CB 3.13Å; L254-S257 PolarHBondContact O-N 3.44Å; L254-S257 PolarHBondContact O-OG 3.11Å; E255-S257 PolarHBondContact O-N 3.39Å |
| 258 | L | 42.6 | Very low | 56.6 | Low | 72 Ų | 72 | 94.2 Ų | 94.2 | 38% | 0.377 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -109.5 | 141.2 | -177.8 | -61.4 | 171.9 | 0 | 0 | 0 | 111.2 | E255 F256 A260 F266 | E255-L258 PolarHBondContact O-N 3.08Å; E255-L258 VanDerWaalsContact O-N 3.08Å; F256-L258 PolarHBondContact O-N 2.65Å; L258-A260 PolarHBondContact O-N 2.65Å; L258-F266 HydrophobicContact CD1-CE2 3.94Å |
| 259 | P | 34.1 | Very low | 54.1 | Low | 106 Ų | 106 | 95.9 Ų | 95.9 | 69% | 0.688 | 53% | 0.53 | S | S | * | . | trans | -64.9 | 123.8 | -173.8 | -24.9 | 35.4 | 0 | 0 | 0 | 114.5 | N261 A262 | P259-N261 PolarHBondContact O-N 3.47Å; P259-A262 WeakPolarHBondContact O-CB 3.21Å; P259-A262 PolarHBondContact O-N 2.71Å | ||
| 260 | A | 35.6 | Very low | 51.5 | Low | 105 Ų | 105 | 95.2 Ų | 95.2 | 87% | 0.868 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -11.6 | -166.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | L258 | L258-A260 PolarHBondContact O-N 2.65Š|
| 261 | N | 34.3 | Very low | 49.1 | Very low | 168 Ų | 168 | 99.6 Ų | 99.6 | 90% | 0.898 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 19.5 | 178.6 | -71.2 | -39.2 | 0 | 0 | 0 | 113.1 | P259 V263 | P259-N261 PolarHBondContact O-N 3.47Å; N261-V263 PolarHBondContact O-N 2.91Å |
| 262 | A | 37.7 | Very low | 47.1 | Very low | 50 Ų | 50 | 104.2 Ų | 104.2 | 41% | 0.413 | 58% | 0.577 | S | S | . | * | trans | -94.8 | 85.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P259 Y264 | P259-A262 WeakPolarHBondContact O-CB 3.21Å; P259-A262 PolarHBondContact O-N 2.71Å; A262-Y264 VanDerWaalsContact C-N 3.35Å; A262-Y264 HydrophobicContact CB-CD2 3.6Å; A262-Y264 HydrophobicContact CB-CE2 3.86Å; A262-Y264 PolarHBondContact O-N 3.5Å | ||
| 263 | V | 40.2 | Very low | 44.5 | Very low | 150 Ų | 150 | 110.4 Ų | 110.4 | 91% | 0.909 | 60% | 0.6 | S | S | * | * | trans | -71.5 | 90.2 | 165.4 | -178 | 0 | 0 | 0 | 0 | 109.5 | N261 | N261-V263 PolarHBondContact O-N 2.91Š| ||
| 264 | Y | 42.8 | Very low | 42.2 | Very low | 144 Ų | 144 | 114.8 Ų | 114.8 | 57% | 0.565 | 62% | 0.618 | S | S | * | * | trans | -125.3 | 136.3 | -179.3 | -79.5 | -109.4 | 0 | 0 | 0 | 111.4 | A262 F266 K270 | A262-Y264 VanDerWaalsContact C-N 3.35Å; A262-Y264 HydrophobicContact CB-CD2 3.6Å; A262-Y264 HydrophobicContact CB-CE2 3.86Å; A262-Y264 PolarHBondContact O-N 3.5Å; Y264-F266 PolarHBondContact O-N 3.18Å; Y264-K270 PolarHBondContact OH-NZ 2.93Å | ||
| 265 | I | 46.4 | Very low | 40.5 | Very low | 157 Ų | 157 | 120.9 Ų | 120.9 | 81% | 0.805 | 65% | 0.645 | S | S | * | * | trans | -64.1 | 123 | 146 | -63 | 170.1 | 0 | 0 | 0 | 105.3 | D267 | I265-D267 PolarHBondContact O-N 2.96Š| ||
| 266 | F | 38.6 | Very low | 39 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 44% | 0.443 | 65% | 0.652 | S | S | . | * | trans | -60.3 | 98.7 | -167.6 | -165.2 | -84.5 | 0 | 0 | 0 | 111.9 | R187 L258 Y264 | R187-F266 PolarHBondContact NH1-O 3.47Å; L258-F266 HydrophobicContact CD1-CE2 3.94Å; Y264-F266 PolarHBondContact O-N 3.18Å | ||
| 267 | D | 37.8 | Very low | 38.2 | Very low | 96 Ų | 96 | 122.4 Ų | 122.4 | 51% | 0.513 | 66% | 0.659 | S | S | . | * | trans | -111.6 | 130.1 | 179.3 | 179.5 | 31.3 | 0 | 0 | 0 | 110.3 | I265 T269 | I265-D267 PolarHBondContact O-N 2.96Å; D267-T269 VanDerWaalsContact C-N 3.29Å; D267-T269 PolarHBondContact O-N 3.27Å; D267-T269 PolarHBondContact OD2-OG1 3.31Å | ||
| 268 | S | 43.3 | Very low | 37.3 | Very low | 55 Ų | 55 | 125.5 Ų | 125.5 | 39% | 0.385 | 67% | 0.674 | S | S | . | * | trans | -83.5 | 3 | -163.1 | 54 | 0 | 0 | 0 | 0 | 114.9 | R59 K270 | R59-S268 PolarHBondContact NH1-OG 2.87Å; S268-K270 PolarHBondContact O-N 2.65Å; S268-K270 VanDerWaalsContact O-N 3.11Å | ||
| 269 | T | 38.4 | Very low | 36.4 | Very low | 94 Ų | 94 | 127.2 Ų | 127.2 | 58% | 0.577 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 4.3 | -166.8 | 53.1 | 0 | 0 | 0 | 0 | 115.9 | D267 | D267-T269 VanDerWaalsContact C-N 3.29Å; D267-T269 PolarHBondContact O-N 3.27Å; D267-T269 PolarHBondContact OD2-OG1 3.31Å |
| 270 | K | 35.7 | Very low | 35.9 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 56% | 0.557 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | -13.3 | -170.3 | -66.9 | -171.3 | 178.5 | -175 | 0 | 117.4 | Y264 S268 T272 | Y264-K270 PolarHBondContact OH-NZ 2.93Å; S268-K270 PolarHBondContact O-N 2.65Å; S268-K270 VanDerWaalsContact O-N 3.11Å; K270-T272 VanDerWaalsContact C-N 3.31Å; K270-T272 PolarHBondContact O-N 3.2Å |
| 271 | M | 39.3 | Very low | 35.3 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -71.4 | -24.9 | 177.4 | -79.1 | -169.2 | 76.9 | 0 | 0 | 113.5 | K273 L274 | M271-K273 PolarHBondContact O-N 2.89Å; M271-L274 PolarHBondContact O-N 3.4Å |
| 272 | T | 43.5 | Very low | 35 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 66% | 0.656 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -63.3 | -10.7 | -174.1 | -23.6 | 0 | 0 | 0 | 0 | 114.7 | K270 | K270-T272 VanDerWaalsContact C-N 3.31Å; K270-T272 PolarHBondContact O-N 3.2Å |
| 273 | K | 33.2 | Very low | 34.5 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -99.1 | 2.7 | -176.6 | -70 | -163.4 | 171.9 | -166.7 | 0 | 115.6 | M271 | M271-K273 PolarHBondContact O-N 2.89Š|
| 274 | L | 35.1 | Very low | 33.8 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 83% | 0.827 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -109.4 | 9.8 | -178.2 | -71 | 172.2 | 0 | 0 | 0 | 114.2 | M271 | M271-L274 PolarHBondContact O-N 3.4Š|
| 275 | Q | 35.5 | Very low | 33.1 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -119 | -11 | 174.9 | -71.7 | -175.4 | -34.3 | 0 | 0 | 114.4 | ||
| 276 | D | 31.6 | Very low | 32.4 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -81.9 | -16.9 | -179.7 | -74.4 | -24.8 | 0 | 0 | 0 | 114.3 | V278 | D276-V278 VanDerWaalsContact C-N 3.28Å; D276-V278 PolarHBondContact O-N 3.23Å |
| 277 | E | 28.6 | Very low | 31.7 | Very low | 191 Ų | 191 | 135.1 Ų | 135.1 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -88.1 | 34.1 | 179.4 | -71.5 | -153.9 | 135.5 | 0 | 0 | 114.6 | ||
| 278 | V | 30 | Very low | 31.1 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -126.5 | 52.1 | 163.3 | -163.5 | 0 | 0 | 0 | 0 | 110.5 | D276 | D276-V278 VanDerWaalsContact C-N 3.28Å; D276-V278 PolarHBondContact O-N 3.23Å | ||
| 279 | S | 23.7 | Very low | 30.3 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 131.5 | 169.5 | 179.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 280 | W | 23.5 | Very low | 29.8 | Very low | 252 Ų | 252 | 145.8 Ų | 145.8 | 96% | 0.955 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 130.6 | 175.3 | -90.4 | -44.4 | 0 | 0 | 0 | 112.4 | ||
| 281 | E | 23.2 | Very low | 29.3 | Very low | 182 Ų | 182 | 144.9 Ų | 144.9 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 135 | 154.7 | -82.7 | -94.6 | 112.3 | 0 | 0 | 109.6 | ||
| 282 | P | 28 | Very low | 28.7 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 138.9 | -171.4 | 34.6 | -34.4 | 0 | 0 | 0 | 114.2 | ||
| 283 | A | 26.2 | Very low | 27.8 | Very low | 103 Ų | 103 | 157.1 Ų | 157.1 | 85% | 0.851 | 84% | 0.844 | S | S | * | * | trans | -136.9 | 123.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 284 | G | 26.4 | Very low | 27.4 | Very low | 78 Ų | 78 | 152.3 Ų | 152.3 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | trans | 61.9 | 107.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 285 | K | 28 | Very low | 27 | Very low | 209 Ų | 209 | 155 Ų | 155 | 91% | 0.909 | 85% | 0.85 | S | S | * | * | trans | -67 | 145.8 | 144.7 | -68.7 | 179.5 | -180 | 176.2 | 0 | 108.4 | ||||
| 286 | P | 30.6 | Very low | 26.4 | Very low | 135 Ų | 135 | 150.6 Ų | 150.6 | 88% | 0.877 | 85% | 0.849 | S | S | * | * | -137.8 | -178.1 | 59.1 | 36.3 | -17.2 | 0 | 0 | 0 | 113.7 | |||||
| 287 | G | 23.8 | Very low | 26.1 | Very low | 67 Ų | 67 | 150.2 Ų | 150.2 | 69% | 0.691 | 86% | 0.857 | S | S | * | * | cis | 173.6 | 164.7 | -3.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 288 | L | 25.6 | Very low | 26.1 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 98% | 0.984 | 85% | 0.854 | S | S | * | * | trans | 22.2 | 114.8 | 174.6 | -73.1 | 89.4 | 0 | 0 | 0 | 119.9 | ||||
| 289 | G | 26.4 | Very low | 25.9 | Very low | 80 Ų | 80 | 146.5 Ų | 146.5 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | trans | -139 | 147 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 290 | Q | 27.5 | Very low | 26.2 | Very low | 201 Ų | 201 | 150.2 Ų | 150.2 | 94% | 0.939 | 86% | 0.857 | S | S | * | * | trans | -96.4 | 151.8 | -165.6 | -71.4 | -176.6 | -4.9 | 0 | 0 | 115.8 | ||||
| 291 | S | 25 | Very low | 26.4 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 84% | 0.841 | S | S | * | * | trans | -41 | 143.2 | 165.6 | 174.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 292 | R | 27.8 | Very low | 27 | Very low | 255 Ų | 255 | 140 Ų | 140 | 96% | 0.962 | 84% | 0.841 | S | S | * | * | trans | -145.9 | 151 | 142.3 | -110.4 | 168.2 | -165 | -156.9 | 1.5 | 111.9 | ||||
| 293 | R | 24.3 | Very low | 27.3 | Very low | 241 Ų | 241 | 140.1 Ų | 140.1 | 91% | 0.909 | 84% | 0.84 | S | S | * | * | trans | -123.4 | 122.9 | -165.3 | -172.4 | -174.3 | -166 | -178.5 | 6.6 | 109.2 | ||||
| 294 | G | 25.4 | Very low | 27.8 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -117 | 149 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 295 | K | 25.6 | Very low | 28.2 | Very low | 214 Ų | 214 | 146.3 Ų | 146.3 | 93% | 0.93 | 83% | 0.831 | S | S | * | * | trans | -153.2 | 136 | -173.9 | -172.7 | -174.7 | 179.3 | -170.9 | 0 | 111.3 | ||||
| 296 | G | 23.6 | Very low | 28.9 | Very low | 76 Ų | 76 | 144.6 Ų | 144.6 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | 95 | 153.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 297 | S | 26.1 | Very low | 29.4 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | cis | -140.3 | 165.5 | 6.5 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 298 | Q | 26.9 | Very low | 30.1 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -65.1 | 154.7 | 179.7 | -76.3 | 149.6 | -93.6 | 0 | 0 | 114.1 | ||||
| 299 | G | 27 | Very low | 30.8 | Very low | 78 Ų | 78 | 142.1 Ų | 142.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -144 | 122.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 300 | E | 28.7 | Very low | 31.4 | Very low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -84.5 | 143.4 | -178.9 | -67.7 | 172.1 | 121.8 | 0 | 0 | 110.9 | ||||
| 301 | G | 28.1 | Very low | 31.9 | Very low | 61 Ų | 61 | 145.3 Ų | 145.3 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | trans | -166.3 | 81.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T303 | G301-T303 PolarHBondContact O-N 3.11Å; G301-T303 PolarHBondContact O-OG1 2.71Å | ||
| 302 | D | 35.8 | Very low | 32.6 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -46.2 | 99.9 | -173.6 | -177.6 | 22.4 | 0 | 0 | 0 | 114.3 | ||||
| 303 | T | 35.1 | Very low | 33.3 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -148.9 | 8.1 | 176 | 40.2 | 0 | 0 | 0 | 0 | 113.7 | G301 K305 | G301-T303 PolarHBondContact O-N 3.11Å; G301-T303 PolarHBondContact O-OG1 2.71Å; T303-K305 PolarHBondContact O-N 2.97Å | ||
| 304 | D | 35.3 | Very low | 34.1 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 64% | 0.642 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 64.2 | -164.6 | -152.8 | 11.9 | 0 | 0 | 0 | 113.8 | ||
| 305 | K | 35.8 | Very low | 34.4 | Very low | 191 Ų | 191 | 139.3 Ų | 139.3 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.2 | 10 | 174.3 | -70.6 | -171.7 | 179.2 | 171.2 | 0 | 115.2 | T303 | T303-K305 PolarHBondContact O-N 2.97Š|
| 306 | F | 42.9 | Very low | 34.9 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -109.7 | -7.8 | -175.9 | -156.9 | -99.3 | 0 | 0 | 0 | 114.7 | ||
| 307 | Y | 41.1 | Very low | 35.3 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 64% | 0.635 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -106.4 | -10.7 | -170.8 | -84.1 | -76.6 | 0 | 0 | 0 | 116.5 | G309 F310 | Y307-G309 VanDerWaalsContact C-N 3.29Å; Y307-G309 PolarHBondContact O-N 3.22Å; Y307-F310 PolarHBondContact O-N 2.7Å |
| 308 | D | 39 | Very low | 35.6 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 60% | 0.604 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -62.2 | -33.5 | -177.7 | -76.3 | -35.6 | 0 | 0 | 0 | 113.8 | F310 R311 | D308-F310 PolarHBondContact O-N 3.18Å; D308-R311 PolarHBondContact O-N 3.45Å; D308-R311 VanDerWaalsContact O-N 3.12Å |
| 309 | G | 39 | Very low | 35.8 | Very low | 63 Ų | 63 | 133.3 Ų | 133.3 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -60.7 | -14.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y307 | Y307-G309 VanDerWaalsContact C-N 3.29Å; Y307-G309 PolarHBondContact O-N 3.22Å |
| 310 | F | 39.3 | Very low | 35.9 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -114.3 | -12.4 | 177 | -65.7 | -77 | 0 | 0 | 0 | 113.9 | Y307 D308 | Y307-F310 PolarHBondContact O-N 2.7Å; D308-F310 PolarHBondContact O-N 3.18Å |
| 311 | R | 37.6 | Very low | 35.9 | Very low | 188 Ų | 188 | 137 Ų | 137 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -83.2 | -29.3 | -175.6 | -135.2 | 177.9 | -161.8 | 158.6 | 5.5 | 113.1 | D308 L313 | D308-R311 PolarHBondContact O-N 3.45Å; D308-R311 VanDerWaalsContact O-N 3.12Å; R311-L313 PolarHBondContact O-N 2.94Å |
| 312 | C | 39.2 | Very low | 36 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 12.4 | -176.6 | -147.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 313 | L | 43.1 | Very low | 35.6 | Very low | 120 Ų | 120 | 141 Ų | 141 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -5.9 | -171.9 | -65.5 | 174.8 | 0 | 0 | 0 | 114.9 | R311 | R311-L313 PolarHBondContact O-N 2.94Š|
| 314 | Y | 41.9 | Very low | 35.2 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 64% | 0.635 | 73% | 0.734 | S | S | * | * | trans | -139.1 | 82.9 | 176.1 | -69.3 | -76.4 | 0 | 0 | 0 | 110.5 | ||||
| 315 | N | 32.2 | Very low | 34.8 | Very low | 156 Ų | 156 | 140 Ų | 140 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | -124.7 | 66.2 | 166 | -163.9 | 40.3 | 0 | 0 | 0 | 109.4 | G317 | N315-G317 PolarHBondContact O-N 2.82Š| ||
| 316 | E | 34.8 | Very low | 34.4 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | -71.6 | 81.3 | 168.6 | -73.9 | -171.1 | 159.1 | 0 | 0 | 109.2 | L318 | E316-L318 PolarHBondContact O-N 2.88Š| ||
| 317 | G | 31.5 | Very low | 33.6 | Very low | 63 Ų | 63 | 134.6 Ų | 134.6 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | trans | -68.3 | 75.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | N315 A319 | N315-G317 PolarHBondContact O-N 2.82Å; G317-A319 PolarHBondContact O-N 2.92Å | ||
| 318 | L | 33.7 | Very low | 33 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | -71.4 | 61.5 | 164.9 | -80.2 | 172.9 | 0 | 0 | 0 | 110.3 | E316 L320 | E316-L318 PolarHBondContact O-N 2.88Å; L318-L320 PolarHBondContact O-N 3.46Å | ||
| 319 | A | 29.6 | Very low | 32.4 | Very low | 85 Ų | 85 | 135.7 Ų | 135.7 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | -78.6 | 75.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109 | G317 E321 | G317-A319 PolarHBondContact O-N 2.92Å; A319-E321 PolarHBondContact O-N 3.29Å; A319-E321 VanDerWaalsContact O-N 3.1Å | ||
| 320 | L | 29.2 | Very low | 31.9 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -77.2 | 81.2 | 162.7 | -76.5 | 174.2 | 0 | 0 | 0 | 108.7 | L318 V322 | L318-L320 PolarHBondContact O-N 3.46Å; L320-V322 PolarHBondContact O-N 3.17Å | ||
| 321 | E | 29.4 | Very low | 31.3 | Very low | 184 Ų | 184 | 139.3 Ų | 139.3 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -81.1 | 105.2 | 161 | -72.5 | -171.3 | -178.6 | 0 | 0 | 109.5 | A319 | A319-E321 PolarHBondContact O-N 3.29Å; A319-E321 VanDerWaalsContact O-N 3.1Å | ||
| 322 | V | 29.5 | Very low | 30.8 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | -136.9 | 126.1 | 144.1 | -176 | 0 | 0 | 0 | 0 | 106.7 | L320 | L320-V322 PolarHBondContact O-N 3.17Š| ||
| 323 | D | 28.9 | Very low | 30.3 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -75.5 | 166 | -178.5 | -143.9 | -16.9 | 0 | 0 | 0 | 111.9 | ||||
| 324 | G | 26.1 | Very low | 29.6 | Very low | 64 Ų | 64 | 139.8 Ų | 139.8 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | trans | -95.8 | 137.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 325 | D | 27.3 | Very low | 28.9 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | 142.9 | 155.9 | 114.1 | -159.8 | 21.3 | 0 | 0 | 0 | 114.9 | |||||
| 326 | S | 27.6 | Very low | 28.9 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | trans | 74.7 | 130.9 | 159.4 | 70 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 327 | D | 26 | Very low | 28.7 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -52.8 | 151.7 | 176.8 | -56.9 | -63.6 | 0 | 0 | 0 | 117 | ||||
| 328 | T | 28.7 | Very low | 28.6 | Very low | 146 Ų | 146 | 145 Ų | 145 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | -177.2 | 157.7 | 100.5 | 26.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 329 | N | 25.8 | Very low | 28.5 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -78.9 | 153.9 | 175.8 | -67.1 | -77.8 | 0 | 0 | 0 | 112.5 | ||||
| 330 | I | 29.1 | Very low | 28.7 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | -170.4 | 149.9 | 114 | -97 | 157 | 0 | 0 | 0 | 112.1 | |||||
| 331 | L | 26.7 | Very low | 29.3 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | trans | -73.6 | 160.8 | -173.5 | -49.4 | 101 | 0 | 0 | 0 | 114.2 | ||||
| 332 | H | 27.7 | Very low | 29.4 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | -160.9 | 161.7 | 111 | -120.2 | -95.3 | 0 | 0 | 0 | 113.1 | |||||
| 333 | E | 28.5 | Very low | 29.9 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | -105.6 | 149.3 | -160.1 | -62.3 | 179.4 | 95.6 | 0 | 0 | 117.1 | ||||
| 334 | A | 27.4 | Very low | 30.6 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | 47.8 | 138 | 136.7 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 335 | H | 27.4 | Very low | 31.1 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | -152.3 | 156.1 | 125.8 | -112.1 | 63.8 | 0 | 0 | 0 | 112.6 | |||||
| 336 | Q | 31.3 | Very low | 31.7 | Very low | 153 Ų | 153 | 143.2 Ų | 143.2 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | trans | -88.6 | 167.4 | 179 | -62.1 | 174.5 | -8.8 | 0 | 0 | 110.6 | ||||
| 337 | K | 31.1 | Very low | 32.2 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | cis | -151.6 | -159.2 | 27.7 | -126.9 | 130.9 | -178.7 | 156.6 | 0 | 108.4 | ||||
| 338 | N | 29.7 | Very low | 32.7 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | cis | -153.3 | 170.2 | 15.4 | -151.8 | 10.3 | 0 | 0 | 0 | 115.1 | ||||
| 339 | V | 30.9 | Very low | 33.3 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -46.2 | 133.9 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 340 | S | 34.6 | Very low | 34.2 | Very low | 115 Ų | 115 | 143.6 Ų | 143.6 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | -166.6 | 147.6 | 107.9 | 61.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 341 | P | 41.8 | Very low | 34.4 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -110.9 | 168.3 | -172.5 | 40.8 | -33.9 | 0 | 0 | 0 | 116 | ||||
| 342 | C | 32.2 | Very low | 34.8 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -78.1 | 169 | -177 | -43.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 343 | P | 40.2 | Very low | 35.2 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | trans | -122.5 | 148.2 | 142.2 | 36.8 | -28.3 | 0 | 0 | 0 | 113.3 | ||||
| 344 | P | 43.1 | Very low | 35.6 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 83% | 0.825 | S | S | * | * | trans | -96.5 | 168 | 174.9 | 38.5 | -34.9 | 0 | 0 | 0 | 113.1 | ||||
| 345 | L | 35.3 | Very low | 36.2 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | trans | -136.6 | 148.9 | 166.8 | -71.7 | 175.3 | 0 | 0 | 0 | 111.2 | ||||
| 346 | H | 40.8 | Very low | 36.7 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.815 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 161.6 | -170.4 | -73.8 | -57.4 | 0 | 0 | 0 | 113.8 | ||
| 347 | P | 38 | Very low | 37.1 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 156.7 | 164.4 | 30.9 | -36.1 | 0 | 0 | 0 | 112 | ||
| 348 | A | 36.7 | Very low | 37.6 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 84% | 0.843 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 156.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 349 | V | 41.3 | Very low | 38.3 | Very low | 145 Ų | 145 | 135 Ų | 135 | 88% | 0.879 | 85% | 0.851 | S | S | * | * | trans | -132.1 | 122.2 | 168.7 | 177.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 350 | S | 44.3 | Very low | 38.9 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 100% | 1.315 | 86% | 0.862 | S | S | * | * | trans | -163.7 | 0 | 163.9 | 61.4 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 350 of 350 residues in 2344.6 ms
(Link to these results)