| 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 | I | 47.9 | Very low | 52.4 | Low | 173 Ų | 173 | 121.2 Ų | 121.2 | 89% | 0.887 | 57% | 0.57 | S | S | * | * | 0 | -44.9 | 0 | -60.2 | 175.8 | 0 | 0 | 0 | 110.6 | R4 R5 | I1-R4 PolarHBondContact O-N 3.12Å; I1-R5 PolarHBondContact O-N 3.49Å; I1-R5 VanDerWaalsContact O-N 3.17Å | |||
| 2 | T | 50 | Low | 53.8 | Low | 118 Ų | 118 | 121.8 Ų | 121.8 | 72% | 0.724 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -59.9 | -45.7 | 177.2 | 6.7 | 0 | 0 | 0 | 0 | 114.4 | R4 R5 Q6 | T2-R4 PolarHBondContact O-N 3.19Å; T2-R5 PolarHBondContact O-N 3.25Å; T2-Q6 WeakPolarHBondContact O-CB 3.38Å; T2-Q6 PolarHBondContact O-N 2.84Å |
| 3 | F | 41.8 | Very low | 54.9 | Low | 159 Ų | 159 | 113.2 Ų | 113.2 | 70% | 0.697 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.6 | -39.3 | 179.5 | -165.2 | -94.2 | 0 | 0 | 0 | 113.4 | Q6 Q7 | F3-Q6 PolarHBondContact O-N 3.06Å; F3-Q7 WeakPolarHBondContact O-CB 3.36Å; F3-Q7 PolarHBondContact O-N 3.33Å |
| 4 | R | 41.2 | Very low | 55.9 | Low | 188 Ų | 188 | 108.6 Ų | 108.6 | 71% | 0.709 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.5 | -41.4 | 179.8 | -156.4 | -177.5 | -78.7 | -175.2 | -5.4 | 111.6 | I1 T2 Q6 Q7 D8 | I1-R4 PolarHBondContact O-N 3.12Å; T2-R4 PolarHBondContact O-N 3.19Å; R4-Q6 VanDerWaalsContact C-N 3.32Å; R4-Q6 PolarHBondContact O-N 3.41Å; R4-Q7 PolarHBondContact O-N 3.28Å; R4-D8 WeakPolarHBondContact O-CB 3.47Å; R4-D8 PolarHBondContact O-N 3.42Å |
| 5 | R | 47.3 | Very low | 57.1 | Low | 192 Ų | 192 | 109.3 Ų | 109.3 | 73% | 0.725 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.6 | -36.8 | 172.8 | -110.4 | -178.6 | 170.2 | 150.8 | -1.8 | 113.1 | I1 T2 S9 | I1-R5 PolarHBondContact O-N 3.49Å; I1-R5 VanDerWaalsContact O-N 3.17Å; T2-R5 PolarHBondContact O-N 3.25Å; R5-S9 WeakPolarHBondContact O-CB 3.43Å; R5-S9 PolarHBondContact O-N 2.97Å; R5-S9 VanDerWaalsContact O-N 3.09Å |
| 6 | Q | 51.3 | Low | 58.3 | Low | 108 Ų | 108 | 106.5 Ų | 106.5 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.1 | -42.6 | 178.2 | -160 | 166.3 | 4.1 | 0 | 0 | 110.6 | T2 F3 R4 S9 T10 | T2-Q6 WeakPolarHBondContact O-CB 3.38Å; T2-Q6 PolarHBondContact O-N 2.84Å; F3-Q6 PolarHBondContact O-N 3.06Å; R4-Q6 VanDerWaalsContact C-N 3.32Å; R4-Q6 PolarHBondContact O-N 3.41Å; Q6-S9 PolarHBondContact O-N 3.27Å; Q6-T10 PolarHBondContact O-N 3.26Å; Q6-T10 PolarHBondContact O-OG1 2.88Å |
| 7 | Q | 53.2 | Low | 59.2 | Low | 82 Ų | 82 | 101.5 Ų | 101.5 | 38% | 0.383 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 174.2 | -169.9 | 171.1 | 11.7 | 0 | 0 | 112.4 | F3 R4 S9 T10 Y11 | F3-Q7 WeakPolarHBondContact O-CB 3.36Å; F3-Q7 PolarHBondContact O-N 3.33Å; R4-Q7 PolarHBondContact O-N 3.28Å; Q7-S9 PolarHBondContact O-N 3.37Å; Q7-T10 PolarHBondContact O-N 2.92Å; Q7-Y11 HydrophobicContact CG-CD2 3.96Å; Q7-Y11 HydrophobicContact CG-CE2 3.56Å; Q7-Y11 WeakPolarHBondContact O-CD2 3.3Å; Q7-Y11 PolarHBondContact O-N 3.48Å |
| 8 | D | 58.2 | Low | 60 | Low | 102 Ų | 102 | 99.3 Ų | 99.3 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 176.2 | -66.3 | -25.6 | 0 | 0 | 0 | 112.2 | R4 T10 F12 | R4-D8 WeakPolarHBondContact O-CB 3.47Å; R4-D8 PolarHBondContact O-N 3.42Å; D8-T10 VanDerWaalsContact C-N 3.35Å; D8-F12 PolarHBondContact O-N 3.3Å |
| 9 | S | 59.9 | Low | 61.2 | Low | 72 Ų | 72 | 100.8 Ų | 100.8 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68 | -32.5 | 176.3 | -169.8 | 0 | 0 | 0 | 0 | 112.6 | R5 Q6 Q7 C13 | R5-S9 WeakPolarHBondContact O-CB 3.43Å; R5-S9 PolarHBondContact O-N 2.97Å; R5-S9 VanDerWaalsContact O-N 3.09Å; Q6-S9 PolarHBondContact O-N 3.27Å; Q7-S9 PolarHBondContact O-N 3.37Å; S9-C13 PolarHBondContact O-N 2.88Å; S9-C13 PolarHBondContact O-SG 3.17Å; S9-C13 VanDerWaalsContact O-SG 3.37Å |
| 10 | T | 59.8 | Low | 62.1 | Low | 19 Ų | 19 | 96.3 Ų | 96.3 | 12% | 0.117 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -76.8 | -38.4 | 179.3 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | Q6 Q7 D8 F12 C13 I14 W152 | Q6-T10 PolarHBondContact O-N 3.26Å; Q6-T10 PolarHBondContact O-OG1 2.88Å; Q7-T10 PolarHBondContact O-N 2.92Å; D8-T10 VanDerWaalsContact C-N 3.35Å; T10-F12 VanDerWaalsContact C-N 3.26Å; T10-F12 PolarHBondContact O-N 2.98Å; T10-C13 PolarHBondContact O-N 2.96Å; T10-I14 PolarHBondContact O-N 3.23Å; T10-W152 VanDerWaalsContact CG2-NE1 3.3Å |
| 11 | Y | 66.2 | Low | 62.8 | Low | 120 Ų | 120 | 93.8 Ų | 93.8 | 47% | 0.471 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 172 | -81.2 | -68.3 | 0 | 0 | 0 | 111.8 | Q7 I14 L15 | Q7-Y11 HydrophobicContact CG-CD2 3.96Å; Q7-Y11 HydrophobicContact CG-CE2 3.56Å; Q7-Y11 WeakPolarHBondContact O-CD2 3.3Å; Q7-Y11 PolarHBondContact O-N 3.48Å; Y11-I14 PolarHBondContact O-N 3.4Å; Y11-L15 WeakPolarHBondContact O-CB 3.45Å; Y11-L15 VanDerWaalsContact O-CG 3.27Å; Y11-L15 WeakPolarHBondContact O-CG 3.37Å; Y11-L15 PolarHBondContact O-N 3.01Å |
| 12 | F | 69.3 | Low | 64.4 | Low | 129 Ų | 129 | 91.3 Ų | 91.3 | 57% | 0.566 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.8 | -45.2 | 176.3 | -176.1 | -95.5 | 0 | 0 | 0 | 112.4 | D8 T10 I14 L15 F16 | D8-F12 PolarHBondContact O-N 3.3Å; T10-F12 VanDerWaalsContact C-N 3.26Å; T10-F12 PolarHBondContact O-N 2.98Å; F12-I14 PolarHBondContact O-N 3.44Å; F12-L15 PolarHBondContact O-N 2.96Å; F12-F16 VanDerWaalsContact O-CB 3.32Å; F12-F16 WeakPolarHBondContact O-CB 3.37Å; F12-F16 PolarHBondContact O-N 3.3Å |
| 13 | C | 67.9 | Low | 66 | Low | 10 Ų | 10 | 87.4 Ų | 87.4 | 7% | 0.068 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 178 | -63.6 | 0 | 0 | 0 | 0 | 113 | S9 T10 L15 F16 Y17 E144 | S9-C13 PolarHBondContact O-N 2.88Å; S9-C13 PolarHBondContact O-SG 3.17Å; S9-C13 VanDerWaalsContact O-SG 3.37Å; T10-C13 PolarHBondContact O-N 2.96Å; C13-L15 VanDerWaalsContact C-N 3.34Å; C13-L15 PolarHBondContact O-N 3.29Å; C13-F16 PolarHBondContact O-N 3.4Å; C13-Y17 VanDerWaalsContact O-CB 3.32Å; C13-Y17 WeakPolarHBondContact O-CB 3.41Å; C13-Y17 PolarHBondContact O-N 2.94Å; C13-E144 WeakPolarHBondContact CA-OE2 3.46Å; C13-E144 HydrophobicContact CB-CB 4.19Å; C13-E144 HydrophobicContact CB-CG 3.98Å; C13-E144 VanDerWaalsContact O-OE2 3.08Å; C13-E144 PolarHBondContact SG-OE1 3.41Å; C13-E144 VanDerWaalsContact SG-OE1 3.35Å |
| 14 | I | 68.8 | Low | 67.9 | Low | 49 Ų | 49 | 80.1 Ų | 80.1 | 25% | 0.251 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 176.6 | -64.6 | 168.6 | 0 | 0 | 0 | 110.4 | T10 Y11 F12 S18 | T10-I14 PolarHBondContact O-N 3.23Å; Y11-I14 PolarHBondContact O-N 3.4Å; F12-I14 PolarHBondContact O-N 3.44Å; I14-S18 WeakPolarHBondContact O-CB 3.37Å; I14-S18 PolarHBondContact O-N 3.35Å; I14-S18 PolarHBondContact O-OG 3.08Å |
| 15 | L | 73.9 | Confident | 69.9 | Low | 119 Ų | 119 | 75.2 Ų | 75.2 | 62% | 0.623 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.8 | -40.8 | 177.6 | -73.2 | 168.9 | 0 | 0 | 0 | 112 | Y11 F12 C13 F19 | Y11-L15 WeakPolarHBondContact O-CB 3.45Å; Y11-L15 VanDerWaalsContact O-CG 3.27Å; Y11-L15 WeakPolarHBondContact O-CG 3.37Å; Y11-L15 PolarHBondContact O-N 3.01Å; F12-L15 PolarHBondContact O-N 2.96Å; C13-L15 VanDerWaalsContact C-N 3.34Å; C13-L15 PolarHBondContact O-N 3.29Å; L15-F19 WeakPolarHBondContact O-CB 3.47Å; L15-F19 PolarHBondContact O-N 3.16Å |
| 16 | F | 75.7 | Confident | 71.7 | Confident | 64 Ų | 64 | 71 Ų | 71 | 28% | 0.281 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.8 | -47.8 | -179.9 | -174.4 | -102.1 | 0 | 0 | 0 | 111.8 | F12 C13 S18 F19 I20 E144 | F12-F16 VanDerWaalsContact O-CB 3.32Å; F12-F16 WeakPolarHBondContact O-CB 3.37Å; F12-F16 PolarHBondContact O-N 3.3Å; C13-F16 PolarHBondContact O-N 3.4Å; F16-S18 PolarHBondContact O-N 3.5Å; F16-F19 WeakPolarHBondContact O-CB 3.47Å; F16-F19 PolarHBondContact O-N 3.28Å; F16-I20 HydrophobicContact CD1-CD1 3.72Å; F16-I20 HydrophobicContact CE1-CD1 3.28Å; F16-I20 HydrophobicContact CE1-CG1 4.31Å; F16-I20 HydrophobicContact CE2-CD1 4.45Å; F16-I20 HydrophobicContact CZ-CD1 3.7Å; F16-I20 HydrophobicContact CZ-CG1 4.43Å; F16-I20 WeakPolarHBondContact O-CG1 3.4Å; F16-I20 PolarHBondContact O-N 3.18Å; F16-E144 VanDerWaalsContact CD1-OE2 3.23Å; F16-E144 WeakPolarHBondContact CD1-OE2 3.34Å |
| 17 | Y | 73.4 | Confident | 73.3 | Confident | 22 Ų | 22 | 69.1 Ų | 69.1 | 9% | 0.086 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 173.3 | 180 | -94.7 | 0 | 0 | 0 | 112.3 | C13 F19 I20 R21 I141 L158 | C13-Y17 VanDerWaalsContact O-CB 3.32Å; C13-Y17 WeakPolarHBondContact O-CB 3.41Å; C13-Y17 PolarHBondContact O-N 2.94Å; Y17-F19 VanDerWaalsContact C-N 3.3Å; Y17-F19 PolarHBondContact O-N 2.98Å; Y17-I20 PolarHBondContact O-N 2.92Å; Y17-R21 HydrophobicContact CE1-CG 4.13Å; Y17-R21 PolarHBondContact O-N 3.38Å; Y17-R21 PolarHBondContact OH-NH1 2.98Å; Y17-I141 HydrophobicContact CD2-CG2 3.99Å; Y17-I141 HydrophobicContact CE2-CG2 3.8Å; Y17-L158 HydrophobicContact CD1-CD2 4.49Å; Y17-L158 HydrophobicContact CE1-CD1 4.31Å; Y17-L158 HydrophobicContact CE1-CD2 3.71Å; Y17-L158 HydrophobicContact CE1-CG 3.63Å; Y17-L158 HydrophobicContact CE2-CD2 4.22Å |
| 18 | S | 75 | Confident | 74.8 | Confident | 62 Ų | 62 | 67.5 Ų | 67.5 | 43% | 0.434 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.2 | -36.4 | 176.2 | -59 | 0 | 0 | 0 | 0 | 111.9 | I14 F16 H22 | I14-S18 WeakPolarHBondContact O-CB 3.37Å; I14-S18 PolarHBondContact O-N 3.35Å; I14-S18 PolarHBondContact O-OG 3.08Å; F16-S18 PolarHBondContact O-N 3.5Å; S18-H22 VanDerWaalsContact O-CB 3.28Å; S18-H22 WeakPolarHBondContact O-CB 3.37Å; S18-H22 PolarHBondContact O-N 3.44Å |
| 19 | F | 81.9 | Confident | 76.1 | Confident | 127 Ų | 127 | 67.7 Ų | 67.7 | 56% | 0.557 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.2 | -48.3 | 175.2 | 175.6 | -98.8 | 0 | 0 | 0 | 111.4 | L15 F16 Y17 R21 H22 V23 | L15-F19 WeakPolarHBondContact O-CB 3.47Å; L15-F19 PolarHBondContact O-N 3.16Å; F16-F19 WeakPolarHBondContact O-CB 3.47Å; F16-F19 PolarHBondContact O-N 3.28Å; Y17-F19 VanDerWaalsContact C-N 3.3Å; Y17-F19 PolarHBondContact O-N 2.98Å; F19-R21 PolarHBondContact O-N 2.8Å; F19-H22 WeakPolarHBondContact O-CB 3.31Å; F19-H22 PolarHBondContact O-N 3.43Å; F19-H22 VanDerWaalsContact O-N 3.12Å; F19-V23 HydrophobicContact CD1-CG2 4.35Å; F19-V23 HydrophobicContact CE1-CG2 3.95Å; F19-V23 HydrophobicContact CE2-CG2 4.18Å; F19-V23 HydrophobicContact CZ-CG2 3.86Å; F19-V23 WeakPolarHBondContact O-CG2 3.42Å; F19-V23 PolarHBondContact O-N 3.4Å |
| 20 | I | 78.9 | Confident | 77.5 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.051 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 177.2 | -69.1 | 172.6 | 0 | 0 | 0 | 110.7 | F16 Y17 H22 V23 D24 L131 T132 I141 | F16-I20 HydrophobicContact CD1-CD1 3.72Å; F16-I20 HydrophobicContact CE1-CD1 3.28Å; F16-I20 HydrophobicContact CE1-CG1 4.31Å; F16-I20 HydrophobicContact CE2-CD1 4.45Å; F16-I20 HydrophobicContact CZ-CD1 3.7Å; F16-I20 HydrophobicContact CZ-CG1 4.43Å; F16-I20 WeakPolarHBondContact O-CG1 3.4Å; F16-I20 PolarHBondContact O-N 3.18Å; Y17-I20 PolarHBondContact O-N 2.92Å; I20-H22 VanDerWaalsContact C-N 3.3Å; I20-H22 PolarHBondContact O-N 2.88Å; I20-V23 PolarHBondContact O-N 2.84Å; I20-D24 PolarHBondContact O-N 3.08Å; I20-L131 HydrophobicContact CG2-CB 4.1Å; I20-T132 HydrophobicContact CG2-CG2 3.92Å; I20-I141 HydrophobicContact CD1-CD1 4.19Å; I20-I141 HydrophobicContact CD1-CG1 3.92Å; I20-I141 HydrophobicContact CG2-CD1 4.02Å |
| 21 | R | 76.9 | Confident | 78.8 | Confident | 44 Ų | 44 | 67.5 Ų | 67.5 | 17% | 0.166 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 175.6 | -75.5 | -174.8 | 70.7 | 142 | -5.6 | 112.3 | Y17 F19 V23 D24 H25 L158 E159 | Y17-R21 HydrophobicContact CE1-CG 4.13Å; Y17-R21 PolarHBondContact O-N 3.38Å; Y17-R21 PolarHBondContact OH-NH1 2.98Å; F19-R21 PolarHBondContact O-N 2.8Å; R21-V23 VanDerWaalsContact C-N 3.33Å; R21-V23 PolarHBondContact O-N 3.41Å; R21-D24 PolarHBondContact O-N 2.87Å; R21-H25 PolarHBondContact O-CD2 3.01Å; R21-H25 PolarHBondContact O-N 3.39Å; R21-L158 PolarHBondContact NH1-O 3.42Å; R21-E159 PolarHBondContact NH2-O 2.98Å; R21-E159 VanDerWaalsContact NH2-O 3.11Å |
| 22 | H | 82.1 | Confident | 79.9 | Confident | 121 Ų | 121 | 63.4 Ų | 63.4 | 56% | 0.56 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.3 | -40.1 | 177.1 | -173.6 | 71 | 0 | 0 | 0 | 111.9 | S18 F19 I20 H25 L26 | S18-H22 VanDerWaalsContact O-CB 3.28Å; S18-H22 WeakPolarHBondContact O-CB 3.37Å; S18-H22 PolarHBondContact O-N 3.44Å; F19-H22 WeakPolarHBondContact O-CB 3.31Å; F19-H22 PolarHBondContact O-N 3.43Å; F19-H22 VanDerWaalsContact O-N 3.12Å; I20-H22 VanDerWaalsContact C-N 3.3Å; I20-H22 PolarHBondContact O-N 2.88Å; H22-H25 PolarHBondContact O-N 3.22Å; H22-L26 WeakPolarHBondContact O-CB 3.36Å; H22-L26 PolarHBondContact O-N 2.92Å |
| 23 | V | 83.7 | Confident | 80.8 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 22% | 0.218 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 175.1 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | F19 I20 R21 H25 L26 M27 L131 | F19-V23 HydrophobicContact CD1-CG2 4.35Å; F19-V23 HydrophobicContact CE1-CG2 3.95Å; F19-V23 HydrophobicContact CE2-CG2 4.18Å; F19-V23 HydrophobicContact CZ-CG2 3.86Å; F19-V23 WeakPolarHBondContact O-CG2 3.42Å; F19-V23 PolarHBondContact O-N 3.4Å; I20-V23 PolarHBondContact O-N 2.84Å; R21-V23 VanDerWaalsContact C-N 3.33Å; R21-V23 PolarHBondContact O-N 3.41Å; V23-H25 PolarHBondContact O-N 2.93Å; V23-L26 WeakPolarHBondContact O-CB 3.46Å; V23-L26 PolarHBondContact O-N 3.36Å; V23-L26 VanDerWaalsContact O-N 3.14Å; V23-M27 HydrophobicContact CG1-CG 4.43Å; V23-M27 WeakPolarHBondContact O-CG 3.3Å; V23-M27 PolarHBondContact O-N 2.74Å; V23-L131 HydrophobicContact CB-CD1 3.9Å; V23-L131 HydrophobicContact CG1-CD1 3.28Å |
| 24 | D | 81.7 | Confident | 81.8 | Confident | 6 Ų | 6 | 65.6 Ų | 65.6 | 3% | 0.032 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.6 | -43 | 175.2 | -80.6 | -15.1 | 0 | 0 | 0 | 112.3 | I20 R21 L26 M27 F28 L131 T132 | I20-D24 PolarHBondContact O-N 3.08Å; R21-D24 PolarHBondContact O-N 2.87Å; D24-L26 VanDerWaalsContact C-N 3.34Å; D24-L26 PolarHBondContact O-N 3Å; D24-M27 PolarHBondContact O-N 2.9Å; D24-M27 WeakPolarHBondContact OD1-CE 3.43Å; D24-F28 WeakPolarHBondContact O-CB 3.18Å; D24-F28 WeakPolarHBondContact O-CD2 3.22Å; D24-F28 WeakPolarHBondContact O-CG 3.39Å; D24-F28 PolarHBondContact O-N 2.94Å; D24-L131 WeakPolarHBondContact OD1-CB 3.46Å; D24-L131 PolarHBondContact OD1-N 3.29Å; D24-T132 VanDerWaalsContact OD2-CB 3.24Å; D24-T132 WeakPolarHBondContact OD2-CB 3.45Å; D24-T132 WeakPolarHBondContact OD2-CG2 3.3Å; D24-T132 PolarHBondContact OD2-N 3.14Å; D24-T132 PolarHBondContact OD2-OG1 3.2Å |
| 25 | H | 82.7 | Confident | 82.8 | Confident | 85 Ų | 85 | 63.6 Ų | 63.6 | 39% | 0.394 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 173.2 | -75.2 | -58.2 | 0 | 0 | 0 | 112.4 | R21 H22 V23 F28 N29 | R21-H25 PolarHBondContact O-CD2 3.01Å; R21-H25 PolarHBondContact O-N 3.39Å; H22-H25 PolarHBondContact O-N 3.22Å; V23-H25 PolarHBondContact O-N 2.93Å; H25-F28 PolarHBondContact O-N 3.09Å; H25-N29 WeakPolarHBondContact O-CB 3.36Å; H25-N29 PolarHBondContact O-N 3.4Å; H25-N29 PolarHBondContact O-ND2 2.95Å |
| 26 | L | 85.3 | Confident | 83.6 | Confident | 103 Ų | 103 | 59.1 Ų | 59.1 | 54% | 0.539 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 176.6 | -172.5 | 70.6 | 0 | 0 | 0 | 111.5 | H22 V23 D24 T30 | H22-L26 WeakPolarHBondContact O-CB 3.36Å; H22-L26 PolarHBondContact O-N 2.92Å; V23-L26 WeakPolarHBondContact O-CB 3.46Å; V23-L26 PolarHBondContact O-N 3.36Å; V23-L26 VanDerWaalsContact O-N 3.14Å; D24-L26 VanDerWaalsContact C-N 3.34Å; D24-L26 PolarHBondContact O-N 3Å; L26-T30 WeakPolarHBondContact O-CB 3.35Å; L26-T30 PolarHBondContact O-N 3.28Å; L26-T30 PolarHBondContact O-OG1 3.02Å |
| 27 | M | 84.3 | Confident | 84.3 | Confident | 69 Ų | 69 | 60.3 Ų | 60.3 | 34% | 0.34 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.3 | -50.8 | 174.5 | -70.6 | -161.9 | -55 | 0 | 0 | 110.6 | V23 D24 N29 T30 V31 L131 | V23-M27 HydrophobicContact CG1-CG 4.43Å; V23-M27 WeakPolarHBondContact O-CG 3.3Å; V23-M27 PolarHBondContact O-N 2.74Å; D24-M27 PolarHBondContact O-N 2.9Å; D24-M27 WeakPolarHBondContact OD1-CE 3.43Å; M27-N29 PolarHBondContact O-N 3.13Å; M27-T30 WeakPolarHBondContact O-CB 3.4Å; M27-T30 PolarHBondContact O-N 2.84Å; M27-T30 VanDerWaalsContact O-N 3.12Å; M27-V31 VanDerWaalsContact O-CG2 3.27Å; M27-V31 WeakPolarHBondContact O-CG2 3.38Å; M27-V31 PolarHBondContact O-N 2.98Å; M27-L131 HydrophobicContact CE-CD1 3.96Å; M27-L131 HydrophobicContact CE-CG 4.07Å; M27-L131 HydrophobicContact SD-CD1 4.48Å |
| 28 | F | 85.8 | Confident | 85.2 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 178.8 | -67.9 | -22.4 | 0 | 0 | 0 | 112.9 | D24 H25 T30 V31 H32 P130 L164 | D24-F28 WeakPolarHBondContact O-CB 3.18Å; D24-F28 WeakPolarHBondContact O-CD2 3.22Å; D24-F28 WeakPolarHBondContact O-CG 3.39Å; D24-F28 PolarHBondContact O-N 2.94Å; H25-F28 PolarHBondContact O-N 3.09Å; F28-T30 VanDerWaalsContact C-N 3.32Å; F28-T30 PolarHBondContact O-N 3.41Å; F28-V31 PolarHBondContact O-N 2.88Å; F28-H32 WeakPolarHBondContact O-CB 3.2Å; F28-H32 PolarHBondContact O-N 2.95Å; F28-P130 HydrophobicContact CE1-CB 4.14Å; F28-P130 HydrophobicContact CZ-CB 3.72Å; F28-P130 HydrophobicContact CZ-CG 4.18Å; F28-L164 HydrophobicContact CB-CD1 4.26Å; F28-L164 HydrophobicContact CD1-CB 4.09Å; F28-L164 HydrophobicContact CD1-CD2 3.92Å; F28-L164 HydrophobicContact CD1-CG 4.49Å; F28-L164 HydrophobicContact CE1-CB 4.35Å; F28-L164 HydrophobicContact CE1-CD2 4.48Å; F28-L164 HydrophobicContact CG-CB 4.24Å |
| 29 | N | 85.9 | Confident | 86 | Confident | 106 Ų | 106 | 57.8 Ų | 57.8 | 57% | 0.567 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.1 | -38.7 | 175.6 | -75.1 | -17.3 | 0 | 0 | 0 | 112.2 | H25 M27 S33 | H25-N29 WeakPolarHBondContact O-CB 3.36Å; H25-N29 PolarHBondContact O-N 3.4Å; H25-N29 PolarHBondContact O-ND2 2.95Å; M27-N29 PolarHBondContact O-N 3.13Å; N29-S33 WeakPolarHBondContact O-CB 3.42Å; N29-S33 PolarHBondContact O-N 3.08Å |
| 30 | T | 87.8 | Confident | 86.4 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 45% | 0.454 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.5 | -47.4 | 177.5 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | L26 M27 F28 S33 M34 | L26-T30 WeakPolarHBondContact O-CB 3.35Å; L26-T30 PolarHBondContact O-N 3.28Å; L26-T30 PolarHBondContact O-OG1 3.02Å; M27-T30 WeakPolarHBondContact O-CB 3.4Å; M27-T30 PolarHBondContact O-N 2.84Å; M27-T30 VanDerWaalsContact O-N 3.12Å; F28-T30 VanDerWaalsContact C-N 3.32Å; F28-T30 PolarHBondContact O-N 3.41Å; T30-S33 PolarHBondContact O-N 3.48Å; T30-M34 HydrophobicContact CG2-SD 4.31Å; T30-M34 VanDerWaalsContact O-CG 3.28Å; T30-M34 WeakPolarHBondContact O-CG 3.42Å; T30-M34 PolarHBondContact O-N 3.38Å |
| 31 | V | 87.4 | Confident | 87 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 178.5 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | M27 F28 S33 M34 V35 G125 L128 L164 | M27-V31 VanDerWaalsContact O-CG2 3.27Å; M27-V31 WeakPolarHBondContact O-CG2 3.38Å; M27-V31 PolarHBondContact O-N 2.98Å; F28-V31 PolarHBondContact O-N 2.88Å; V31-S33 VanDerWaalsContact C-N 3.35Å; V31-S33 PolarHBondContact O-N 3.33Å; V31-M34 PolarHBondContact O-N 3.2Å; V31-M34 VanDerWaalsContact O-N 3.16Å; V31-V35 WeakPolarHBondContact O-CG2 3.43Å; V31-V35 PolarHBondContact O-N 3.37Å; V31-G125 VanDerWaalsContact CG1-CA 3.43Å; V31-L128 HydrophobicContact CB-CD1 4.36Å; V31-L128 HydrophobicContact CG1-CD1 4.2Å; V31-L128 HydrophobicContact CG2-CD1 3.2Å; V31-L164 HydrophobicContact CB-CD2 4.26Å; V31-L164 HydrophobicContact CG1-CD2 3.85Å |
| 32 | H | 88.8 | Confident | 87.6 | Confident | 34 Ų | 34 | 58.6 Ų | 58.6 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.1 | -48.4 | 174.6 | 175.1 | -97.2 | 0 | 0 | 0 | 111.6 | F28 M34 V35 L36 L164 D171 | F28-H32 WeakPolarHBondContact O-CB 3.2Å; F28-H32 PolarHBondContact O-N 2.95Å; H32-M34 VanDerWaalsContact C-N 3.34Å; H32-M34 PolarHBondContact O-N 3.5Å; H32-V35 PolarHBondContact O-N 3.35Å; H32-L36 WeakPolarHBondContact CE1-CD1 3.28Å; H32-L36 PolarHBondContact O-N 3.33Å; H32-L164 HydrophobicContact CB-CD1 4.16Å; H32-D171 IonicContact CD2-OD2 3.34Å; H32-D171 IonicContact CE1-OD2 2.81Å; H32-D171 PolarHBondContact CE1-OD2 3.06Å; H32-D171 IonicContact NE2-OD2 3.87Å; H32-D171 PolarHBondContact NE2-OD2 3.26Å |
| 33 | S | 89.1 | Confident | 88 | Confident | 55 Ų | 55 | 53 Ų | 53 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | N29 T30 V31 L36 N37 | N29-S33 WeakPolarHBondContact O-CB 3.42Å; N29-S33 PolarHBondContact O-N 3.08Å; T30-S33 PolarHBondContact O-N 3.48Å; V31-S33 VanDerWaalsContact C-N 3.35Å; V31-S33 PolarHBondContact O-N 3.33Å; S33-L36 PolarHBondContact O-N 3.04Å; S33-N37 WeakPolarHBondContact O-CB 3.41Å; S33-N37 PolarHBondContact O-N 3.01Å; S33-N37 PolarHBondContact O-ND2 3.3Å; S33-N37 VanDerWaalsContact O-ND2 3.17Å |
| 34 | M | 88.9 | Confident | 88.2 | Confident | 129 Ų | 129 | 53.9 Ų | 53.9 | 64% | 0.635 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.8 | -44.1 | 176.2 | -71.6 | 179.2 | 91.6 | 0 | 0 | 112.1 | T30 V31 H32 N37 A38 | T30-M34 HydrophobicContact CG2-SD 4.31Å; T30-M34 VanDerWaalsContact O-CG 3.28Å; T30-M34 WeakPolarHBondContact O-CG 3.42Å; T30-M34 PolarHBondContact O-N 3.38Å; V31-M34 PolarHBondContact O-N 3.2Å; V31-M34 VanDerWaalsContact O-N 3.16Å; H32-M34 VanDerWaalsContact C-N 3.34Å; H32-M34 PolarHBondContact O-N 3.5Å; M34-N37 PolarHBondContact O-N 3.33Å; M34-A38 WeakPolarHBondContact O-CB 3.4Å; M34-A38 PolarHBondContact O-N 3.18Å |
| 35 | V | 89.8 | Confident | 88.5 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63 | -46.2 | 175.9 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | V31 H32 N37 A38 V39 K122 L168 L174 | V31-V35 WeakPolarHBondContact O-CG2 3.43Å; V31-V35 PolarHBondContact O-N 3.37Å; H32-V35 PolarHBondContact O-N 3.35Å; V35-N37 PolarHBondContact O-N 2.97Å; V35-A38 PolarHBondContact O-N 3.46Å; V35-V39 WeakPolarHBondContact O-CG2 3.42Å; V35-V39 PolarHBondContact O-N 2.92Å; V35-K122 HydrophobicContact CG1-CG 4.43Å; V35-L168 HydrophobicContact CB-CD2 4.25Å; V35-L168 HydrophobicContact CG1-CD2 4.12Å; V35-L174 HydrophobicContact CG1-CD2 4.44Å |
| 36 | L | 90.7 | Very high | 88.7 | Confident | 24 Ų | 24 | 51.5 Ų | 51.5 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.7 | -49.9 | 175.9 | -83.7 | 174.6 | 0 | 0 | 0 | 112 | H32 S33 A38 V39 D40 L174 I177 | H32-L36 WeakPolarHBondContact CE1-CD1 3.28Å; H32-L36 PolarHBondContact O-N 3.33Å; S33-L36 PolarHBondContact O-N 3.04Å; L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 2.97Å; L36-V39 PolarHBondContact O-N 2.9Å; L36-D40 VanDerWaalsContact O-CB 3.29Å; L36-D40 WeakPolarHBondContact O-CB 3.28Å; L36-D40 PolarHBondContact O-N 3.13Å; L36-L174 HydrophobicContact CD2-CB 3.69Å; L36-L174 HydrophobicContact CD2-CD1 4.05Å; L36-L174 HydrophobicContact CD2-CG 4.37Å; L36-I177 HydrophobicContact CD2-CD1 4.25Å |
| 37 | N | 90.9 | Very high | 88.7 | Confident | 89 Ų | 89 | 51 Ų | 51 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 179.7 | -70.4 | -23.7 | 0 | 0 | 0 | 111.9 | S33 M34 V35 D40 I41 | S33-N37 WeakPolarHBondContact O-CB 3.41Å; S33-N37 PolarHBondContact O-N 3.01Å; S33-N37 PolarHBondContact O-ND2 3.3Å; S33-N37 VanDerWaalsContact O-ND2 3.17Å; M34-N37 PolarHBondContact O-N 3.33Å; V35-N37 PolarHBondContact O-N 2.97Å; N37-D40 PolarHBondContact O-N 3.17Å; N37-I41 WeakPolarHBondContact O-CD1 3.39Å; N37-I41 WeakPolarHBondContact O-CG1 3.47Å; N37-I41 PolarHBondContact O-N 2.55Å |
| 38 | A | 91.1 | Very high | 88.5 | Confident | 31 Ų | 31 | 52.5 Ų | 52.5 | 26% | 0.256 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M34 V35 L36 I41 I42 | M34-A38 WeakPolarHBondContact O-CB 3.4Å; M34-A38 PolarHBondContact O-N 3.18Å; V35-A38 PolarHBondContact O-N 3.46Å; L36-A38 VanDerWaalsContact C-N 3.32Å; L36-A38 PolarHBondContact O-N 2.97Å; A38-I41 PolarHBondContact O-N 2.94Å; A38-I42 PolarHBondContact O-N 3.34Å |
| 39 | V | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.2 | -34.5 | 178.2 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | V35 L36 I42 L43 I118 F121 L174 I177 I178 I181 | V35-V39 WeakPolarHBondContact O-CG2 3.42Å; V35-V39 PolarHBondContact O-N 2.92Å; L36-V39 PolarHBondContact O-N 2.9Å; V39-I42 WeakPolarHBondContact O-CB 3.4Å; V39-I42 PolarHBondContact O-N 3.44Å; V39-L43 PolarHBondContact O-N 3.33Å; V39-I118 HydrophobicContact CG1-CD1 4.43Å; V39-I118 HydrophobicContact CG1-CG1 4.41Å; V39-I118 HydrophobicContact CG2-CG1 4.36Å; V39-I118 HydrophobicContact CG2-CG2 4.16Å; V39-F121 HydrophobicContact CG2-CD2 4.3Å; V39-L174 HydrophobicContact CB-CD1 4.04Å; V39-L174 HydrophobicContact CG1-CD1 4.13Å; V39-L174 HydrophobicContact CG2-CD1 3.98Å; V39-I177 HydrophobicContact CB-CG2 4.42Å; V39-I177 HydrophobicContact CG1-CB 4.46Å; V39-I177 HydrophobicContact CG1-CG2 3.67Å; V39-I178 HydrophobicContact CG1-CG1 4.22Å; V39-I181 HydrophobicContact CG1-CD1 3.66Å |
| 40 | D | 91.6 | Very high | 87.3 | Confident | 65 Ų | 65 | 48.7 Ų | 48.7 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.1 | -36 | 175.2 | -169.2 | 63.5 | 0 | 0 | 0 | 112.7 | L36 N37 I42 L43 T44 I177 | L36-D40 VanDerWaalsContact O-CB 3.29Å; L36-D40 WeakPolarHBondContact O-CB 3.28Å; L36-D40 PolarHBondContact O-N 3.13Å; N37-D40 PolarHBondContact O-N 3.17Å; D40-I42 VanDerWaalsContact C-N 3.33Å; D40-I42 PolarHBondContact O-N 2.68Å; D40-L43 PolarHBondContact O-N 2.99Å; D40-T44 WeakPolarHBondContact O-CB 3.32Å; D40-T44 PolarHBondContact O-N 2.68Å; D40-T44 PolarHBondContact O-OG1 3.26Å; D40-I177 HydrophobicContact CB-CD1 4.19Å |
| 41 | I | 90.6 | Very high | 85.8 | Confident | 107 Ų | 107 | 48.2 Ų | 48.2 | 55% | 0.549 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.1 | -44.5 | 171.3 | -71 | 162.5 | 0 | 0 | 0 | 110.2 | N37 A38 L43 T44 V45 | N37-I41 WeakPolarHBondContact O-CD1 3.39Å; N37-I41 WeakPolarHBondContact O-CG1 3.47Å; N37-I41 PolarHBondContact O-N 2.55Å; A38-I41 PolarHBondContact O-N 2.94Å; I41-L43 VanDerWaalsContact C-N 3.32Å; I41-L43 PolarHBondContact O-N 3.43Å; I41-T44 PolarHBondContact O-N 3.38Å; I41-V45 VanDerWaalsContact O-CG2 3.29Å; I41-V45 WeakPolarHBondContact O-CG2 3.19Å; I41-V45 PolarHBondContact O-N 2.97Å |
| 42 | I | 89.9 | Confident | 84.3 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 176.2 | -65.8 | 174 | 0 | 0 | 0 | 110.5 | A38 V39 D40 T44 V45 F46 L117 F121 I181 | A38-I42 PolarHBondContact O-N 3.34Å; V39-I42 WeakPolarHBondContact O-CB 3.4Å; V39-I42 PolarHBondContact O-N 3.44Å; D40-I42 VanDerWaalsContact C-N 3.33Å; D40-I42 PolarHBondContact O-N 2.68Å; I42-T44 VanDerWaalsContact C-N 3.35Å; I42-T44 PolarHBondContact O-N 3.41Å; I42-V45 PolarHBondContact O-N 3.08Å; I42-F46 HydrophobicContact CG2-CD2 3.97Å; I42-F46 HydrophobicContact CG2-CE2 3.91Å; I42-F46 VanDerWaalsContact O-CD2 3.27Å; I42-F46 WeakPolarHBondContact O-CD2 3.47Å; I42-F46 PolarHBondContact O-N 3.36Å; I42-L117 HydrophobicContact CD1-CD2 3.98Å; I42-F121 HydrophobicContact CD1-CE2 3.66Å; I42-F121 HydrophobicContact CD1-CZ 4.37Å; I42-I181 HydrophobicContact CB-CD1 4.15Å; I42-I181 HydrophobicContact CG2-CD1 3.85Å; I42-I181 HydrophobicContact CG2-CG1 4.38Å; I42-I181 HydrophobicContact CG2-CG2 4.3Å |
| 43 | L | 90.9 | Very high | 82.4 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.8 | -46.1 | 178 | 177.3 | 63 | 0 | 0 | 0 | 111.9 | V39 D40 I41 V45 F46 Q47 I177 K180 I181 | V39-L43 PolarHBondContact O-N 3.33Å; D40-L43 PolarHBondContact O-N 2.99Å; I41-L43 VanDerWaalsContact C-N 3.32Å; I41-L43 PolarHBondContact O-N 3.43Å; L43-V45 VanDerWaalsContact C-N 3.31Å; L43-V45 PolarHBondContact O-N 3.37Å; L43-F46 PolarHBondContact O-N 3.08Å; L43-Q47 HydrophobicContact CD1-CG 3.74Å; L43-Q47 HydrophobicContact CG-CG 4.19Å; L43-Q47 WeakPolarHBondContact O-CB 3.18Å; L43-Q47 WeakPolarHBondContact O-CG 3.49Å; L43-Q47 PolarHBondContact O-N 3.43Å; L43-I177 HydrophobicContact CB-CG2 3.8Å; L43-I177 HydrophobicContact CD2-CB 4.39Å; L43-I177 HydrophobicContact CD2-CG1 4.44Å; L43-I177 HydrophobicContact CD2-CG2 3.78Å; L43-I177 HydrophobicContact CG-CG2 4.36Å; L43-K180 HydrophobicContact CD1-CB 3.5Å; L43-K180 HydrophobicContact CD2-CB 4.03Å; L43-K180 HydrophobicContact CD2-CD 3.81Å; L43-K180 HydrophobicContact CG-CB 4.45Å; L43-I181 HydrophobicContact CB-CD1 4.18Å; L43-I181 HydrophobicContact CB-CG1 3.78Å; L43-I181 HydrophobicContact CD1-CG1 3.8Å; L43-I181 HydrophobicContact CG-CG1 4.39Å |
| 44 | T | 88.4 | Confident | 80.3 | Confident | 54 Ų | 54 | 62.7 Ų | 62.7 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.7 | -48.7 | 179.2 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | D40 I41 I42 F46 Q47 E48 | D40-T44 WeakPolarHBondContact O-CB 3.32Å; D40-T44 PolarHBondContact O-N 2.68Å; D40-T44 PolarHBondContact O-OG1 3.26Å; I41-T44 PolarHBondContact O-N 3.38Å; I42-T44 VanDerWaalsContact C-N 3.35Å; I42-T44 PolarHBondContact O-N 3.41Å; T44-F46 VanDerWaalsContact C-N 3.34Å; T44-F46 PolarHBondContact O-N 2.8Å; T44-Q47 PolarHBondContact O-N 3.16Å; T44-E48 HydrophobicContact CG2-CG 4.46Å; T44-E48 WeakPolarHBondContact CG2-OE1 3.21Å; T44-E48 WeakPolarHBondContact O-CB 3.39Å; T44-E48 VanDerWaalsContact O-CG 3.3Å; T44-E48 WeakPolarHBondContact O-CG 3.33Å; T44-E48 PolarHBondContact O-N 2.94Å |
| 45 | V | 86.6 | Confident | 77.9 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 178.8 | 172 | 0 | 0 | 0 | 0 | 111.9 | I41 I42 L43 Q49 L84 L89 | I41-V45 VanDerWaalsContact O-CG2 3.29Å; I41-V45 WeakPolarHBondContact O-CG2 3.19Å; I41-V45 PolarHBondContact O-N 2.97Å; I42-V45 PolarHBondContact O-N 3.08Å; L43-V45 VanDerWaalsContact C-N 3.31Å; L43-V45 PolarHBondContact O-N 3.37Å; V45-Q49 VanDerWaalsContact O-CG 3.28Å; V45-Q49 WeakPolarHBondContact O-CG 3.28Å; V45-Q49 PolarHBondContact O-N 3.38Å; V45-L84 HydrophobicContact CB-CD2 4.4Å; V45-L84 HydrophobicContact CG1-CD2 4.02Å; V45-L84 HydrophobicContact CG2-CD2 3.75Å; V45-L89 HydrophobicContact CG1-CD1 3.33Å; V45-L89 HydrophobicContact CG1-CD2 4.11Å; V45-L89 HydrophobicContact CG1-CG 4.37Å |
| 46 | F | 88.2 | Confident | 75.3 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 6% | 0.057 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.2 | -44 | 177.6 | -87.3 | -130.6 | 0 | 0 | 0 | 111.9 | I42 L43 T44 Q49 V50 L90 I114 I181 L252 | I42-F46 HydrophobicContact CG2-CD2 3.97Å; I42-F46 HydrophobicContact CG2-CE2 3.91Å; I42-F46 VanDerWaalsContact O-CD2 3.27Å; I42-F46 WeakPolarHBondContact O-CD2 3.47Å; I42-F46 PolarHBondContact O-N 3.36Å; L43-F46 PolarHBondContact O-N 3.08Å; T44-F46 VanDerWaalsContact C-N 3.34Å; T44-F46 PolarHBondContact O-N 2.8Å; F46-Q49 PolarHBondContact O-N 3.39Å; F46-V50 VanDerWaalsContact O-CG2 3.29Å; F46-V50 WeakPolarHBondContact O-CG2 3.45Å; F46-V50 PolarHBondContact O-N 3.21Å; F46-L90 HydrophobicContact CE1-CD1 4.42Å; F46-L90 HydrophobicContact CZ-CD1 4.28Å; F46-I114 HydrophobicContact CZ-CD1 4Å; F46-I114 HydrophobicContact CZ-CG1 4.44Å; F46-I181 HydrophobicContact CD1-CG2 3.96Å; F46-I181 HydrophobicContact CE1-CG2 4Å; F46-I181 HydrophobicContact CG-CG2 4.5Å; F46-L252 HydrophobicContact CD1-CD1 4.26Å; F46-L252 HydrophobicContact CD1-CD2 3.67Å; F46-L252 HydrophobicContact CD2-CD1 4.29Å; F46-L252 HydrophobicContact CE1-CD1 4.43Å; F46-L252 HydrophobicContact CE1-CD2 3.89Å; F46-L252 HydrophobicContact CE2-CD1 4.45Å; F46-L252 HydrophobicContact CG-CD1 4.18Å; F46-L252 HydrophobicContact CG-CD2 4.3Å |
| 47 | Q | 84.7 | Confident | 72.8 | Confident | 93 Ų | 93 | 76.2 Ų | 76.2 | 44% | 0.435 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.3 | -38.2 | -178 | -72.9 | -174.6 | -25.5 | 0 | 0 | 112.8 | L43 T44 Q49 V50 G51 | L43-Q47 HydrophobicContact CD1-CG 3.74Å; L43-Q47 HydrophobicContact CG-CG 4.19Å; L43-Q47 WeakPolarHBondContact O-CB 3.18Å; L43-Q47 WeakPolarHBondContact O-CG 3.49Å; L43-Q47 PolarHBondContact O-N 3.43Å; T44-Q47 PolarHBondContact O-N 3.16Å; Q47-Q49 VanDerWaalsContact C-N 3.29Å; Q47-Q49 PolarHBondContact O-N 3.28Å; Q47-V50 PolarHBondContact O-N 2.84Å; Q47-G51 PolarHBondContact O-N 2.97Å; Q47-G51 VanDerWaalsContact O-N 3.16Å |
| 48 | E | 80.4 | Confident | 69.8 | Low | 101 Ų | 101 | 77.4 Ų | 77.4 | 47% | 0.472 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.5 | -43.4 | 173.8 | -75.4 | 175.4 | 175.7 | 0 | 0 | 110.7 | T44 G51 H52 | T44-E48 HydrophobicContact CG2-CG 4.46Å; T44-E48 WeakPolarHBondContact CG2-OE1 3.21Å; T44-E48 WeakPolarHBondContact O-CB 3.39Å; T44-E48 VanDerWaalsContact O-CG 3.3Å; T44-E48 WeakPolarHBondContact O-CG 3.33Å; T44-E48 PolarHBondContact O-N 2.94Å; E48-G51 PolarHBondContact O-N 3.44Å; E48-H52 PolarHBondContact O-CD2 3.32Å; E48-H52 VanDerWaalsContact O-CD2 3.23Å; E48-H52 PolarHBondContact O-N 3.02Å |
| 49 | Q | 74.6 | Confident | 66.9 | Low | 21 Ų | 21 | 80.6 Ų | 80.6 | 10% | 0.098 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -77 | -29.5 | -178.1 | -65.7 | -68.6 | -21.4 | 0 | 0 | 114.2 | V45 F46 Q47 G51 H52 P85 L89 G251 L252 | V45-Q49 VanDerWaalsContact O-CG 3.28Å; V45-Q49 WeakPolarHBondContact O-CG 3.28Å; V45-Q49 PolarHBondContact O-N 3.38Å; F46-Q49 PolarHBondContact O-N 3.39Å; Q47-Q49 VanDerWaalsContact C-N 3.29Å; Q47-Q49 PolarHBondContact O-N 3.28Å; Q49-G51 VanDerWaalsContact C-N 3.29Å; Q49-H52 PolarHBondContact O-N 3.05Å; Q49-P85 PolarHBondContact NE2-O 3.06Å; Q49-L89 HydrophobicContact CB-CD1 4.43Å; Q49-L89 HydrophobicContact CG-CD1 3.7Å; Q49-G251 WeakPolarHBondContact O-CA 3.49Å; Q49-L252 HydrophobicContact CB-CB 4.36Å; Q49-L252 HydrophobicContact CB-CD1 4.2Å |
| 50 | V | 70.4 | Confident | 64.1 | Low | 54 Ų | 54 | 86.7 Ų | 86.7 | 33% | 0.327 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.4 | -27.7 | 172.4 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | F46 Q47 L187 L252 | F46-V50 VanDerWaalsContact O-CG2 3.29Å; F46-V50 WeakPolarHBondContact O-CG2 3.45Å; F46-V50 PolarHBondContact O-N 3.21Å; Q47-V50 PolarHBondContact O-N 2.84Å; V50-L187 HydrophobicContact CG1-CD1 4.47Å; V50-L252 HydrophobicContact CG2-CB 4.3Å; V50-L252 HydrophobicContact CG2-CD2 4.32Å |
| 51 | G | 57.8 | Low | 61 | Low | 64 Ų | 64 | 88.2 Ų | 88.2 | 66% | 0.66 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -72.7 | -23.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q47 E48 Q49 R53 | Q47-G51 PolarHBondContact O-N 2.97Å; Q47-G51 VanDerWaalsContact O-N 3.16Å; E48-G51 PolarHBondContact O-N 3.44Å; Q49-G51 VanDerWaalsContact C-N 3.29Å; G51-R53 PolarHBondContact O-N 3.23Å |
| 52 | H | 55.3 | Low | 58.4 | Low | 129 Ų | 129 | 89.1 Ų | 89.1 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | trans | -79.8 | 86.7 | 175.2 | -81.1 | -74.4 | 0 | 0 | 0 | 110.7 | E48 Q49 | E48-H52 PolarHBondContact O-CD2 3.32Å; E48-H52 VanDerWaalsContact O-CD2 3.23Å; E48-H52 PolarHBondContact O-N 3.02Å; Q49-H52 PolarHBondContact O-N 3.05Å | ||
| 53 | R | 49.4 | Very low | 55.6 | Low | 229 Ų | 229 | 91.7 Ų | 91.7 | 86% | 0.864 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 126.4 | 166.9 | -159.1 | -177 | -145.4 | 158.3 | 5.2 | 108.5 | G51 C55 | G51-R53 PolarHBondContact O-N 3.23Å; R53-C55 PolarHBondContact O-N 3.14Å |
| 54 | P | 45.1 | Very low | 52.7 | Low | 47 Ų | 47 | 99 Ų | 99 | 31% | 0.305 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 142.4 | 171.7 | -16 | 26.7 | 0 | 0 | 0 | 109.8 | Q56 H249 L250 | P54-Q56 PolarHBondContact O-N 3.24Å; P54-H249 WeakPolarHBondContact CB-O 3.48Å; P54-H249 WeakPolarHBondContact CG-O 3.46Å; P54-L250 HydrophobicContact CG-CD2 4.49Å |
| 55 | C | 37.5 | Very low | 50.1 | Low | 130 Ų | 130 | 105.9 Ų | 105.9 | 88% | 0.878 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 137.9 | 169.3 | -86 | 0 | 0 | 0 | 0 | 110.2 | R53 I57 | R53-C55 PolarHBondContact O-N 3.14Å; C55-I57 PolarHBondContact O-N 2.81Å |
| 56 | Q | 35.1 | Very low | 47.3 | Very low | 173 Ų | 173 | 110.2 Ų | 110.2 | 81% | 0.808 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 130.3 | -170.9 | -65.7 | 170.2 | -12.2 | 0 | 0 | 112.6 | P54 T58 | P54-Q56 PolarHBondContact O-N 3.24Å; Q56-T58 VanDerWaalsContact C-N 3.34Å; Q56-T58 PolarHBondContact O-N 3.23Å; Q56-T58 PolarHBondContact O-OG1 3.43Å |
| 57 | I | 38.7 | Very low | 44.5 | Very low | 143 Ų | 143 | 118.4 Ų | 118.4 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | trans | -55.2 | 101.1 | 160 | -59.9 | 169 | 0 | 0 | 0 | 106.4 | C55 | C55-I57 PolarHBondContact O-N 2.81Š| ||
| 58 | T | 28.9 | Very low | 41.8 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 70% | 0.699 | 68% | 0.679 | S | S | * | * | trans | -90.9 | 118.2 | 166.9 | -42.3 | 0 | 0 | 0 | 0 | 105.9 | Q56 | Q56-T58 VanDerWaalsContact C-N 3.34Å; Q56-T58 PolarHBondContact O-N 3.23Å; Q56-T58 PolarHBondContact O-OG1 3.43Å | ||
| 59 | P | 29.8 | Very low | 39.5 | Very low | 98 Ų | 98 | 118.7 Ų | 118.7 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | -60.5 | 141.3 | 169.6 | 25 | -30.6 | 0 | 0 | 0 | 108.6 | S61 | P59-S61 PolarHBondContact O-N 3.49Š| ||
| 60 | P | 31.1 | Very low | 37.3 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 83% | 0.831 | 73% | 0.73 | S | S | * | * | trans | -65 | 103.3 | 177.1 | 25.4 | -30.9 | 0 | 0 | 0 | 109 | ||||
| 61 | S | 27.3 | Very low | 35.4 | Very low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | trans | -78.3 | 128 | 164.2 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | P59 S63 | P59-S61 PolarHBondContact O-N 3.49Å; S61-S63 PolarHBondContact O-N 3.16Å; S61-S63 VanDerWaalsContact O-N 3.15Å | ||
| 62 | P | 35.2 | Very low | 34 | Very low | 126 Ų | 126 | 136 Ų | 136 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -85.5 | 87.3 | 179.3 | 33.3 | -30.1 | 0 | 0 | 0 | 109.8 | ||||
| 63 | S | 32.7 | Very low | 32.8 | Very low | 81 Ų | 81 | 139.4 Ų | 139.4 | 57% | 0.566 | 79% | 0.785 | S | S | * | * | trans | -170.4 | 110.5 | 159.5 | 49.9 | 0 | 0 | 0 | 0 | 111.1 | S61 | S61-S63 PolarHBondContact O-N 3.16Å; S61-S63 VanDerWaalsContact O-N 3.15Å | ||
| 64 | D | 28.5 | Very low | 31.8 | Very low | 158 Ų | 158 | 134 Ų | 134 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | 130.4 | 105.2 | 133.6 | -63.6 | -20.1 | 0 | 0 | 0 | 115.1 | ||||
| 65 | Q | 33.9 | Very low | 31 | Very low | 198 Ų | 198 | 141 Ų | 141 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -63.4 | 124.8 | 156.7 | -60.9 | 170.7 | -7.3 | 0 | 0 | 108.5 | ||||
| 66 | S | 28.4 | Very low | 30.6 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -170.6 | 145.5 | 137.7 | -146.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 67 | E | 30 | Very low | 30.2 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -68.2 | 151.7 | -176.1 | -59.7 | 166.1 | 146.4 | 0 | 0 | 113.3 | ||||
| 68 | A | 27.1 | Very low | 29.7 | Very low | 99 Ų | 99 | 145 Ų | 145 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | 160.6 | 136.7 | 115.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 69 | A | 32.2 | Very low | 29.5 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -70.9 | 146.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 70 | S | 28.1 | Very low | 29.5 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -156.7 | 113.6 | 146.7 | 57.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 71 | E | 30.4 | Very low | 29.5 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | trans | -63.2 | 131.5 | 160.8 | -61.1 | 167.4 | 155.9 | 0 | 0 | 109.1 | ||||
| 72 | E | 28.8 | Very low | 29.8 | Very low | 190 Ų | 190 | 150.2 Ų | 150.2 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | trans | -147.4 | 117.1 | 146.9 | -75.6 | -159.7 | 165.4 | 0 | 0 | 110.2 | ||||
| 73 | E | 30 | Very low | 29.9 | Very low | 202 Ų | 202 | 151.3 Ų | 151.3 | 94% | 0.944 | 83% | 0.834 | S | S | * | * | trans | -68.3 | 137.1 | 167.4 | -69.3 | 179.8 | 132.9 | 0 | 0 | 110.6 | ||||
| 74 | S | 28.4 | Very low | 30.3 | Very low | 115 Ų | 115 | 151.1 Ų | 151.1 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -143.9 | 101.5 | 154.2 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 75 | E | 28.6 | Very low | 31.2 | Very low | 193 Ų | 193 | 146.6 Ų | 146.6 | 90% | 0.902 | 81% | 0.805 | S | S | * | * | trans | 34.2 | 112.5 | 141.4 | -63.8 | -174 | 156.2 | 0 | 0 | 121.7 | ||||
| 76 | K | 29.3 | Very low | 32.1 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -34 | 123.5 | 159 | -71 | 165.9 | 175.8 | 168.8 | 0 | 115.6 | ||||
| 77 | K | 26.2 | Very low | 33.7 | Very low | 209 Ų | 209 | 145.6 Ų | 145.6 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -101.5 | 109.6 | 144.3 | -124.9 | 177.3 | -175.2 | 175.8 | 0 | 108.4 | C79 | K77-C79 PolarHBondContact O-N 3.43Å; K77-C79 VanDerWaalsContact O-N 3.12Å | ||
| 78 | V | 29.1 | Very low | 35.8 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 75% | 0.745 | 76% | 0.755 | S | S | * | * | trans | -70.2 | 103.3 | 175.7 | 175.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 79 | C | 24.5 | Very low | 38.5 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | trans | -106.1 | 132.3 | 149.1 | -80.3 | 0 | 0 | 0 | 0 | 106.6 | K77 S81 | K77-C79 PolarHBondContact O-N 3.43Å; K77-C79 VanDerWaalsContact O-N 3.12Å; C79-S81 PolarHBondContact O-N 3.27Å | ||
| 80 | V | 30.4 | Very low | 41.3 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 89% | 0.885 | 70% | 0.7 | S | S | * | * | trans | -67.1 | 82.4 | 175.4 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 81 | S | 30.4 | Very low | 44.3 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | trans | -83 | 119.4 | 172.8 | 52.6 | 0 | 0 | 0 | 0 | 108 | C79 V83 | C79-S81 PolarHBondContact O-N 3.27Å; S81-V83 PolarHBondContact O-N 3.46Å; S81-V83 VanDerWaalsContact O-N 3.16Å | ||
| 82 | K | 32.7 | Very low | 47.4 | Very low | 194 Ų | 194 | 121.4 Ų | 121.4 | 84% | 0.843 | 64% | 0.64 | S | S | * | * | trans | -46.6 | 122.9 | 165.8 | -73.5 | 172.5 | 175.1 | 176.3 | 0 | 108.1 | L84 | K82-L84 PolarHBondContact O-N 3.35Š| ||
| 83 | V | 38.5 | Very low | 50.5 | Low | 149 Ų | 149 | 115.1 Ų | 115.1 | 90% | 0.903 | 61% | 0.611 | S | S | * | * | trans | -61.2 | 105.3 | 173.2 | 177.1 | 0 | 0 | 0 | 0 | 107.3 | S81 | S81-V83 PolarHBondContact O-N 3.46Å; S81-V83 VanDerWaalsContact O-N 3.16Å | ||
| 84 | L | 41.2 | Very low | 53.6 | Low | 78 Ų | 78 | 105.6 Ų | 105.6 | 41% | 0.408 | 57% | 0.566 | S | S | . | * | trans | -125.8 | 147 | 163.4 | -118.1 | 98.9 | 0 | 0 | 0 | 108.2 | V45 K82 | V45-L84 HydrophobicContact CB-CD2 4.4Å; V45-L84 HydrophobicContact CG1-CD2 4.02Å; V45-L84 HydrophobicContact CG2-CD2 3.75Å; K82-L84 PolarHBondContact O-N 3.35Å | ||
| 85 | P | 46.2 | Very low | 56.7 | Low | 62 Ų | 62 | 100.7 Ų | 100.7 | 40% | 0.403 | 53% | 0.531 | S | S | . | . | trans | -74.4 | 136.6 | -164.2 | 1.3 | 13.6 | 0 | 0 | 0 | 111.1 | Q49 F87 | Q49-P85 PolarHBondContact NE2-O 3.06Å; P85-F87 HydrophobicContact CB-CB 4.09Å; P85-F87 HydrophobicContact CB-CD2 3.71Å; P85-F87 HydrophobicContact CB-CG 4.4Å; P85-F87 PolarHBondContact O-N 2.97Å | ||
| 86 | D | 54 | Low | 59.6 | Low | 156 Ų | 156 | 92.9 Ų | 92.9 | 83% | 0.834 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -64.7 | 22.6 | 163.1 | -73.1 | -37.5 | 0 | 0 | 0 | 112.6 | ||
| 87 | F | 62.7 | Low | 62.3 | Low | 140 Ų | 140 | 87 Ų | 87 | 61% | 0.614 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -122.7 | 141.7 | -169.3 | -60 | -80.9 | 0 | 0 | 0 | 110.9 | P85 L89 | P85-F87 HydrophobicContact CB-CB 4.09Å; P85-F87 HydrophobicContact CB-CD2 3.71Å; P85-F87 HydrophobicContact CB-CG 4.4Å; P85-F87 PolarHBondContact O-N 2.97Å; F87-L89 PolarHBondContact O-N 2.96Å |
| 88 | P | 73.8 | Confident | 64.9 | Low | 19 Ų | 19 | 85.1 Ų | 85.1 | 12% | 0.123 | 47% | 0.47 | C | S | . | . | trans | -58.8 | 133.8 | 175.4 | 26.2 | -36 | 0 | 0 | 0 | 110.1 | H249 L254 | P88-H249 VanDerWaalsContact CD-CE1 3.48Å; P88-H249 WeakPolarHBondContact CD-CE1 3.29Å; P88-H249 WeakPolarHBondContact CD-ND1 3.49Å; P88-H249 VanDerWaalsContact CG-ND1 3.32Å; P88-H249 WeakPolarHBondContact CG-ND1 3.32Å; P88-L254 HydrophobicContact CB-CB 3.78Å; P88-L254 HydrophobicContact CG-CB 3.49Å; P88-L254 VanDerWaalsContact CG-CB 3.49Å; P88-L254 HydrophobicContact CG-CD1 4.04Å; P88-L254 HydrophobicContact CG-CD2 3.96Å; P88-L254 HydrophobicContact CG-CG 4.03Å | ||
| 89 | L | 82.9 | Confident | 67.4 | Low | 70 Ų | 70 | 83.6 Ų | 83.6 | 37% | 0.366 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -78.4 | -33 | -175.5 | -72.2 | 155.7 | 0 | 0 | 0 | 112.4 | V45 Q49 F87 L252 | V45-L89 HydrophobicContact CG1-CD1 3.33Å; V45-L89 HydrophobicContact CG1-CD2 4.11Å; V45-L89 HydrophobicContact CG1-CG 4.37Å; Q49-L89 HydrophobicContact CB-CD1 4.43Å; Q49-L89 HydrophobicContact CG-CD1 3.7Å; F87-L89 PolarHBondContact O-N 2.96Å; L89-L252 HydrophobicContact CB-CD1 4.16Å; L89-L252 HydrophobicContact CD1-CD1 3.76Å; L89-L252 PolarHBondContact N-O 3.26Å |
| 90 | L | 90.5 | Very high | 70.4 | Confident | 23 Ų | 23 | 82.6 Ų | 82.6 | 12% | 0.12 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 137.3 | -173.7 | -57.5 | -178.5 | 0 | 0 | 0 | 109.1 | F46 F110 L185 L252 L253 L254 | F46-L90 HydrophobicContact CE1-CD1 4.42Å; F46-L90 HydrophobicContact CZ-CD1 4.28Å; L90-F110 HydrophobicContact CB-CE1 4.01Å; L90-F110 HydrophobicContact CB-CZ 4.18Å; L90-F110 HydrophobicContact CD1-CD1 4.05Å; L90-F110 HydrophobicContact CD1-CE1 4.28Å; L90-F110 HydrophobicContact CD2-CD1 4.02Å; L90-F110 HydrophobicContact CD2-CE1 3.8Å; L90-F110 HydrophobicContact CG-CD1 4.46Å; L90-F110 HydrophobicContact CG-CE1 4.24Å; L90-L185 HydrophobicContact CD1-CD1 3.59Å; L90-L252 HydrophobicContact CD1-CD1 4.41Å; L90-L252 HydrophobicContact CD1-CD2 4.24Å; L90-L252 HydrophobicContact CD1-CG 4.08Å; L90-L252 HydrophobicContact CG-CD1 4.47Å; L90-L252 HydrophobicContact CG-CG 4.45Å; L90-L252 PolarHBondContact N-O 3.49Å; L90-L252 VanDerWaalsContact N-O 3.16Å; L90-L253 HydrophobicContact CB-CD2 3.68Å; L90-L253 HydrophobicContact CD1-CD2 4.33Å; L90-L253 CarbonylContact O-C 3.54Å; L90-L253 WeakPolarHBondContact O-CA 3.3Å; L90-L254 PolarHBondContact O-N 2.83Å |
| 91 | T | 92.3 | Very high | 73.3 | Confident | 75 Ų | 75 | 77 Ų | 77 | 46% | 0.46 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.2 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 109.6 | F110 L254 | T91-F110 WeakPolarHBondContact O-CZ 3.49Å; T91-L254 WeakPolarHBondContact CA-O 3.48Å; T91-L254 HydrophobicContact CG2-CB 4.33Å; T91-L254 HydrophobicContact CG2-CD2 4.47Å |
| 92 | T | 94.7 | Very high | 76.3 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.006 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 143.9 | 174.1 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | F103 R104 P105 F189 L253 L254 V255 D256 | T92-F103 HydrophobicContact CG2-CD1 3.84Å; T92-F103 HydrophobicContact CG2-CE1 4.45Å; T92-R104 PolarHBondContact OG1-N 3.42Å; T92-R104 PolarHBondContact OG1-O 2.89Å; T92-P105 PolarHBondContact OG1-O 3.42Å; T92-F189 HydrophobicContact CG2-CE1 4.42Å; T92-F189 HydrophobicContact CG2-CZ 4.44Å; T92-L253 HydrophobicContact CG2-CD2 4.2Å; T92-L254 PolarHBondContact N-O 3.42Å; T92-V255 HydrophobicContact CG2-CG2 4.16Å; T92-V255 CarbonylContact O-C 3.57Å; T92-V255 VanDerWaalsContact O-CA 3.31Å; T92-V255 WeakPolarHBondContact O-CA 3.36Å; T92-D256 PolarHBondContact O-N 3.46Å |
| 93 | E | 95.3 | Very high | 79.2 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 28% | 0.276 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 132.1 | 177.1 | -171.7 | 175 | -153.6 | 0 | 0 | 109.9 | L95 F103 R104 D256 Q259 | E93-L95 HydrophobicContact CG-CD2 3.71Å; E93-L95 HydrophobicContact CG-CG 4Å; E93-F103 CarbonylContact O-C 3.58Å; E93-F103 WeakPolarHBondContact O-CA 3.47Å; E93-R104 WeakPolarHBondContact CB-O 3.34Å; E93-R104 PolarHBondContact N-O 2.93Å; E93-R104 PolarHBondContact O-N 3.24Å; E93-D256 HydrophobicContact CB-CB 4.48Å; E93-D256 HydrophobicContact CG-CB 4.44Å; E93-Q259 WeakPolarHBondContact OE1-CB 3.23Å; E93-Q259 PolarHBondContact OE1-OE1 3.45Å |
| 94 | L | 94.9 | Very high | 81.8 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 117.5 | 171.7 | -179.3 | 61 | 0 | 0 | 0 | 109.1 | L101 F103 F199 V255 D256 L260 | L94-L101 HydrophobicContact CD1-CB 4.09Å; L94-L101 HydrophobicContact CD1-CD2 4.35Å; L94-L101 HydrophobicContact CG-CD2 4.47Å; L94-F103 HydrophobicContact CB-CD1 4.36Å; L94-F103 HydrophobicContact CB-CE1 4.12Å; L94-F103 HydrophobicContact CD1-CD1 4.1Å; L94-F103 HydrophobicContact CD1-CE1 3.74Å; L94-F103 HydrophobicContact CD1-CE2 4.23Å; L94-F103 HydrophobicContact CD1-CZ 3.81Å; L94-F103 HydrophobicContact CG-CE1 4.38Å; L94-F199 HydrophobicContact CD2-CD2 3.82Å; L94-F199 HydrophobicContact CD2-CE2 3.72Å; L94-V255 HydrophobicContact CB-CG1 3.77Å; L94-D256 PolarHBondContact N-O 3.08Å; L94-L260 HydrophobicContact CD2-CD2 3.61Å; L94-L260 HydrophobicContact CG-CD2 3.96Å; L94-L260 WeakPolarHBondContact O-CB 3.39Å |
| 95 | L | 92.4 | Very high | 84.4 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 150.7 | -175.8 | -63.8 | 176.1 | 0 | 0 | 0 | 111.1 | E93 E97 L101 T102 R104 Q259 | E93-L95 HydrophobicContact CG-CD2 3.71Å; E93-L95 HydrophobicContact CG-CG 4Å; L95-E97 HydrophobicContact CB-CG 4.41Å; L95-L101 WeakPolarHBondContact O-CA 3.39Å; L95-T102 PolarHBondContact N-O 2.89Å; L95-T102 PolarHBondContact O-N 3Å; L95-R104 HydrophobicContact CD1-CB 4.11Å; L95-R104 HydrophobicContact CD1-CG 3.99Å; L95-Q259 HydrophobicContact CD2-CB 3.93Å; L95-Q259 HydrophobicContact CD2-CG 3.87Å; L95-Q259 VanDerWaalsContact CD2-OE1 3.31Å |
| 96 | L | 90.4 | Very high | 86.7 | Confident | 30 Ų | 30 | 63 Ų | 63 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 98.3 | 169.1 | -177 | 59.8 | 0 | 0 | 0 | 109.8 | L101 L203 L260 L264 | L96-L101 HydrophobicContact CB-CD2 4.43Å; L96-L101 HydrophobicContact CD1-CD2 4.04Å; L96-L101 HydrophobicContact CD1-CG 4.45Å; L96-L203 HydrophobicContact CD1-CD1 4.3Å; L96-L203 HydrophobicContact CD1-CD2 3.47Å; L96-L203 VanDerWaalsContact CD1-CD2 3.47Å; L96-L203 HydrophobicContact CD2-CD2 3.71Å; L96-L203 HydrophobicContact CG-CD2 4.24Å; L96-L260 HydrophobicContact CB-CD1 3.74Å; L96-L264 HydrophobicContact CD2-CD2 4.17Å |
| 97 | E | 85.8 | Confident | 88.6 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.1 | 177.9 | -67.7 | -177.5 | 171.3 | 0 | 0 | 109.5 | L95 N99 V100 R104 | L95-E97 HydrophobicContact CB-CG 4.41Å; E97-N99 VanDerWaalsContact C-N 3.28Å; E97-N99 PolarHBondContact O-N 3.07Å; E97-V100 PolarHBondContact N-O 3.41Å; E97-V100 PolarHBondContact O-N 3.46Å; E97-V100 VanDerWaalsContact O-O 3.09Å; E97-R104 IonicContact OE1-CZ 3.48Å; E97-R104 IonicContact OE1-NE 3.33Å; E97-R104 PolarHBondContact OE1-NE 3.05Å; E97-R104 IonicContact OE1-NH2 3.47Å; E97-R104 PolarHBondContact OE1-NH2 3.12Å; E97-R104 IonicContact OE2-CZ 3.34Å; E97-R104 IonicContact OE2-NE 3.3Å; E97-R104 IonicContact OE2-NH2 3Å; E97-R104 PolarHBondContact OE2-NH2 3.24Å |
| 98 | L | 81.3 | Confident | 90.2 | Very high | 170 Ų | 170 | 54.9 Ų | 54.9 | 89% | 0.89 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 39.2 | 176 | -55.8 | 173.5 | 0 | 0 | 0 | 114.5 | V100 | L98-V100 VanDerWaalsContact C-N 3.25Å; L98-V100 PolarHBondContact O-N 3.18Å |
| 99 | N | 80.4 | Confident | 91.2 | Very high | 92 Ų | 92 | 58 Ų | 58 | 49% | 0.492 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 21.6 | -174 | -57.2 | -39 | 0 | 0 | 0 | 115 | E97 | E97-N99 VanDerWaalsContact C-N 3.28Å; E97-N99 PolarHBondContact O-N 3.07Å |
| 100 | V | 87.3 | Confident | 91.8 | Very high | 86 Ų | 86 | 55.9 Ų | 55.9 | 52% | 0.521 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.9 | 173.9 | -176.2 | 0 | 0 | 0 | 0 | 109 | E97 L98 T102 | E97-V100 PolarHBondContact N-O 3.41Å; E97-V100 PolarHBondContact O-N 3.46Å; E97-V100 VanDerWaalsContact O-O 3.09Å; L98-V100 VanDerWaalsContact C-N 3.25Å; L98-V100 PolarHBondContact O-N 3.18Å; V100-T102 HydrophobicContact CG1-CG2 4.22Å |
| 101 | L | 91.1 | Very high | 92 | Very high | 29 Ų | 29 | 56.2 Ų | 56.2 | 15% | 0.152 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 122.5 | 175.7 | -68.3 | 169.9 | 0 | 0 | 0 | 109.4 | L94 L95 L96 S196 F199 L203 L260 | L94-L101 HydrophobicContact CD1-CB 4.09Å; L94-L101 HydrophobicContact CD1-CD2 4.35Å; L94-L101 HydrophobicContact CG-CD2 4.47Å; L95-L101 WeakPolarHBondContact O-CA 3.39Å; L96-L101 HydrophobicContact CB-CD2 4.43Å; L96-L101 HydrophobicContact CD1-CD2 4.04Å; L96-L101 HydrophobicContact CD1-CG 4.45Å; L101-S196 VanDerWaalsContact CD1-O 3.28Å; L101-S196 WeakPolarHBondContact CD1-O 3.36Å; L101-F199 HydrophobicContact CD1-CB 4.02Å; L101-L203 HydrophobicContact CG-CD1 4.36Å; L101-L260 HydrophobicContact CD2-CD1 3.72Å; L101-L260 HydrophobicContact CD2-CD2 4.22Å |
| 102 | T | 93.1 | Very high | 92.1 | Very high | 40 Ų | 40 | 58.6 Ų | 58.6 | 25% | 0.245 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 149 | -178 | 60 | 0 | 0 | 0 | 0 | 110.8 | L95 V100 | L95-T102 PolarHBondContact N-O 2.89Å; L95-T102 PolarHBondContact O-N 3Å; V100-T102 HydrophobicContact CG1-CG2 4.22Å |
| 103 | F | 94.6 | Very high | 92.1 | Very high | 14 Ų | 14 | 61.1 Ų | 61.1 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 134.1 | 177.5 | -70.5 | -78.7 | 0 | 0 | 0 | 110.4 | T92 E93 L94 P105 S106 F189 A192 H193 V255 | T92-F103 HydrophobicContact CG2-CD1 3.84Å; T92-F103 HydrophobicContact CG2-CE1 4.45Å; E93-F103 CarbonylContact O-C 3.58Å; E93-F103 WeakPolarHBondContact O-CA 3.47Å; L94-F103 HydrophobicContact CB-CD1 4.36Å; L94-F103 HydrophobicContact CB-CE1 4.12Å; L94-F103 HydrophobicContact CD1-CD1 4.1Å; L94-F103 HydrophobicContact CD1-CE1 3.74Å; L94-F103 HydrophobicContact CD1-CE2 4.23Å; L94-F103 HydrophobicContact CD1-CZ 3.81Å; L94-F103 HydrophobicContact CG-CE1 4.38Å; F103-P105 CarbonylContact O-C 3.6Å; F103-S106 WeakPolarHBondContact O-CA 3.44Å; F103-S106 PolarHBondContact O-N 3.37Å; F103-F189 HydrophobicContact CB-CE1 4.04Å; F103-F189 HydrophobicContact CG-CE1 4.23Å; F103-A192 HydrophobicContact CE1-CB 3.94Å; F103-A192 HydrophobicContact CE2-CB 4.32Å; F103-A192 HydrophobicContact CZ-CB 3.67Å; F103-H193 AromaticContact CD2-CE1 3.59Å; F103-H193 AromaticContact CD2-ND1 3.99Å; F103-H193 AromaticContact CE2-CE1 3.6Å; F103-H193 AromaticContact CE2-ND1 3.5Å; F103-H193 WeakPolarHBondContact CE2-ND1 3.38Å; F103-V255 HydrophobicContact CE1-CG1 3.95Å; F103-V255 HydrophobicContact CE1-CG2 4.32Å |
| 104 | R | 93.2 | Very high | 92.1 | Very high | 136 Ų | 136 | 59.2 Ų | 59.2 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 118.8 | 174 | -68.2 | -152.9 | -172.8 | -160.4 | 7.4 | 111.4 | T92 E93 L95 E97 | T92-R104 PolarHBondContact OG1-N 3.42Å; T92-R104 PolarHBondContact OG1-O 2.89Å; E93-R104 WeakPolarHBondContact CB-O 3.34Å; E93-R104 PolarHBondContact N-O 2.93Å; E93-R104 PolarHBondContact O-N 3.24Å; L95-R104 HydrophobicContact CD1-CB 4.11Å; L95-R104 HydrophobicContact CD1-CG 3.99Å; E97-R104 IonicContact OE1-CZ 3.48Å; E97-R104 IonicContact OE1-NE 3.33Å; E97-R104 PolarHBondContact OE1-NE 3.05Å; E97-R104 IonicContact OE1-NH2 3.47Å; E97-R104 PolarHBondContact OE1-NH2 3.12Å; E97-R104 IonicContact OE2-CZ 3.34Å; E97-R104 IonicContact OE2-NE 3.3Å; E97-R104 IonicContact OE2-NH2 3Å; E97-R104 PolarHBondContact OE2-NH2 3.24Å |
| 105 | P | 95.5 | Very high | 92 | Very high | 59 Ų | 59 | 64.1 Ų | 64.1 | 38% | 0.383 | 33% | 0.326 | S | S | . | . | S | Bend | cis | -64.5 | 149.2 | -4.3 | -17.3 | 31.5 | 0 | 0 | 0 | 112.4 | T92 F103 D109 F110 | T92-P105 PolarHBondContact OG1-O 3.42Å; F103-P105 CarbonylContact O-C 3.6Å; P105-D109 HydrophobicContact CB-CB 3.88Å; P105-F110 HydrophobicContact CB-CD2 4.14Å; P105-F110 HydrophobicContact CB-CE2 3.76Å; P105-F110 HydrophobicContact CB-CZ 4.17Å; P105-F110 HydrophobicContact CG-CE2 4.1Å; P105-F110 HydrophobicContact CG-CZ 4.06Å |
| 106 | S | 94.6 | Very high | 92.1 | Very high | 39 Ų | 39 | 66.1 Ų | 66.1 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | trans | -77.7 | 167.7 | 179 | 70.6 | 0 | 0 | 0 | 0 | 111.9 | F103 E108 D109 F110 | F103-S106 WeakPolarHBondContact O-CA 3.44Å; F103-S106 PolarHBondContact O-N 3.37Å; S106-E108 PolarHBondContact O-N 3.28Å; S106-D109 WeakPolarHBondContact CB-OD2 3.38Å; S106-D109 PolarHBondContact N-OD2 3.31Å; S106-D109 WeakPolarHBondContact O-CB 3.37Å; S106-D109 PolarHBondContact O-N 2.88Å; S106-D109 VanDerWaalsContact O-N 3.09Å; S106-D109 PolarHBondContact OG-N 2.72Å; S106-D109 PolarHBondContact OG-OD2 3.18Å; S106-F110 WeakPolarHBondContact O-CD2 3.48Å; S106-F110 PolarHBondContact O-N 3.16Å; S106-F110 VanDerWaalsContact O-N 3.09Å | ||
| 107 | E | 94.8 | Very high | 92.3 | Very high | 26 Ų | 26 | 68.2 Ų | 68.2 | 12% | 0.121 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -53.7 | -43.1 | 174.8 | -173 | -174.7 | 163.3 | 0 | 0 | 111.8 | D109 F110 K111 H186 F189 | E107-D109 VanDerWaalsContact C-N 3.33Å; E107-D109 PolarHBondContact O-N 2.89Å; E107-F110 PolarHBondContact O-N 3.41Å; E107-K111 HydrophobicContact CG-CD 4.35Å; E107-K111 WeakPolarHBondContact O-CG 3.33Å; E107-K111 PolarHBondContact O-N 3.38Å; E107-K111 WeakPolarHBondContact OE1-CE 3.5Å; E107-K111 IonicContact OE1-NZ 3.55Å; E107-K111 PolarHBondContact OE1-NZ 3.33Å; E107-H186 WeakPolarHBondContact OE1-CA 3.31Å; E107-H186 WeakPolarHBondContact OE1-CB 3.32Å; E107-H186 IonicContact OE1-CE1 2.58Å; E107-H186 IonicContact OE1-CG 2.8Å; E107-H186 IonicContact OE1-ND1 3.29Å; E107-H186 PolarHBondContact OE1-ND1 3.44Å; E107-H186 IonicContact OE2-ND1 3.86Å; E107-F189 HydrophobicContact CB-CB 4.13Å; E107-F189 HydrophobicContact CB-CD1 3.83Å; E107-F189 HydrophobicContact CB-CD2 3.81Å; E107-F189 HydrophobicContact CB-CE1 4.2Å; E107-F189 HydrophobicContact CB-CE2 4.19Å; E107-F189 HydrophobicContact CB-CG 3.63Å; E107-F189 HydrophobicContact CB-CZ 4.37Å; E107-F189 HydrophobicContact CG-CB 3.95Å; E107-F189 HydrophobicContact CG-CD1 4.48Å; E107-F189 HydrophobicContact CG-CD2 3.72Å; E107-F189 HydrophobicContact CG-CE2 4.39Å; E107-F189 HydrophobicContact CG-CG 3.78Å |
| 108 | E | 95.2 | Very high | 92.5 | Very high | 98 Ų | 98 | 65 Ų | 65 | 46% | 0.458 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.8 | -32.1 | 179.7 | -70.7 | -52.8 | 131.2 | 0 | 0 | 112.9 | S106 K111 K112 R115 | S106-E108 PolarHBondContact O-N 3.28Å; E108-K111 PolarHBondContact O-N 3.35Å; E108-K111 WeakPolarHBondContact OE1-CD 2.85Å; E108-K111 IonicContact OE1-NZ 2.76Å; E108-K111 PolarHBondContact OE1-NZ 3.32Å; E108-K112 VanDerWaalsContact O-CB 3.25Å; E108-K112 WeakPolarHBondContact O-CB 3.25Å; E108-K112 PolarHBondContact O-N 2.93Å; E108-R115 IonicContact OE2-NH2 2.64Å |
| 109 | D | 95.8 | Very high | 93 | Very high | 86 Ų | 86 | 62.9 Ų | 62.9 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 174.1 | -61.6 | -46.2 | 0 | 0 | 0 | 110.7 | P105 S106 E107 K112 A113 | P105-D109 HydrophobicContact CB-CB 3.88Å; S106-D109 WeakPolarHBondContact CB-OD2 3.38Å; S106-D109 PolarHBondContact N-OD2 3.31Å; S106-D109 WeakPolarHBondContact O-CB 3.37Å; S106-D109 PolarHBondContact O-N 2.88Å; S106-D109 VanDerWaalsContact O-N 3.09Å; S106-D109 PolarHBondContact OG-N 2.72Å; S106-D109 PolarHBondContact OG-OD2 3.18Å; E107-D109 VanDerWaalsContact C-N 3.33Å; E107-D109 PolarHBondContact O-N 2.89Å; D109-K112 PolarHBondContact O-N 3.34Å; D109-A113 WeakPolarHBondContact O-CB 3.31Å; D109-A113 PolarHBondContact O-N 3.36Å |
| 110 | F | 95.1 | Very high | 93.5 | Very high | 25 Ų | 25 | 63.1 Ų | 63.1 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 175.1 | -81 | -70.2 | 0 | 0 | 0 | 112 | L90 T91 P105 S106 E107 K112 A113 I114 L185 F189 | L90-F110 HydrophobicContact CB-CE1 4.01Å; L90-F110 HydrophobicContact CB-CZ 4.18Å; L90-F110 HydrophobicContact CD1-CD1 4.05Å; L90-F110 HydrophobicContact CD1-CE1 4.28Å; L90-F110 HydrophobicContact CD2-CD1 4.02Å; L90-F110 HydrophobicContact CD2-CE1 3.8Å; L90-F110 HydrophobicContact CG-CD1 4.46Å; L90-F110 HydrophobicContact CG-CE1 4.24Å; T91-F110 WeakPolarHBondContact O-CZ 3.49Å; P105-F110 HydrophobicContact CB-CD2 4.14Å; P105-F110 HydrophobicContact CB-CE2 3.76Å; P105-F110 HydrophobicContact CB-CZ 4.17Å; P105-F110 HydrophobicContact CG-CE2 4.1Å; P105-F110 HydrophobicContact CG-CZ 4.06Å; S106-F110 WeakPolarHBondContact O-CD2 3.48Å; S106-F110 PolarHBondContact O-N 3.16Å; S106-F110 VanDerWaalsContact O-N 3.09Å; E107-F110 PolarHBondContact O-N 3.41Å; F110-K112 VanDerWaalsContact C-N 3.26Å; F110-K112 PolarHBondContact O-N 3.02Å; F110-A113 PolarHBondContact O-N 3.06Å; F110-I114 WeakPolarHBondContact O-CG1 3.28Å; F110-I114 PolarHBondContact O-N 2.98Å; F110-L185 HydrophobicContact CB-CD1 4.11Å; F110-L185 HydrophobicContact CB-CD2 3.6Å; F110-L185 HydrophobicContact CB-CG 4.4Å; F110-F189 AromaticContact CD2-CE2 3.66Å; F110-F189 HydrophobicContact CD2-CE2 3.66Å; F110-F189 AromaticContact CD2-CZ 3.5Å; F110-F189 HydrophobicContact CD2-CZ 3.5Å; F110-F189 HydrophobicContact CE2-CE2 4.28Å; F110-F189 AromaticContact CE2-CZ 3.83Å; F110-F189 HydrophobicContact CE2-CZ 3.83Å; F110-F189 HydrophobicContact CG-CE2 4.37Å |
| 111 | K | 94 | Very high | 93.6 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.5 | -42.4 | 176.5 | -75.5 | 177.6 | -176.2 | 160 | 0 | 111.2 | E107 E108 R115 M182 L185 | E107-K111 HydrophobicContact CG-CD 4.35Å; E107-K111 WeakPolarHBondContact O-CG 3.33Å; E107-K111 PolarHBondContact O-N 3.38Å; E107-K111 WeakPolarHBondContact OE1-CE 3.5Å; E107-K111 IonicContact OE1-NZ 3.55Å; E107-K111 PolarHBondContact OE1-NZ 3.33Å; E108-K111 PolarHBondContact O-N 3.35Å; E108-K111 WeakPolarHBondContact OE1-CD 2.85Å; E108-K111 IonicContact OE1-NZ 2.76Å; E108-K111 PolarHBondContact OE1-NZ 3.32Å; K111-R115 WeakPolarHBondContact O-CB 3.45Å; K111-R115 VanDerWaalsContact O-CG 3.31Å; K111-R115 WeakPolarHBondContact O-CG 3.37Å; K111-R115 PolarHBondContact O-N 3.44Å; K111-R115 PolarHBondContact O-NE 3.12Å; K111-M182 HydrophobicContact CB-SD 4Å; K111-M182 HydrophobicContact CG-SD 3.88Å; K111-L185 HydrophobicContact CB-CD2 4.29Å; K111-L185 HydrophobicContact CG-CD2 3.55Å |
| 112 | K | 95.5 | Very high | 93.4 | Very high | 125 Ų | 125 | 61.4 Ų | 61.4 | 54% | 0.543 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -48.8 | 176.2 | -175.9 | -177.4 | 175.2 | -172 | 0 | 111.3 | E108 D109 F110 I114 R115 D116 | E108-K112 VanDerWaalsContact O-CB 3.25Å; E108-K112 WeakPolarHBondContact O-CB 3.25Å; E108-K112 PolarHBondContact O-N 2.93Å; D109-K112 PolarHBondContact O-N 3.34Å; F110-K112 VanDerWaalsContact C-N 3.26Å; F110-K112 PolarHBondContact O-N 3.02Å; K112-I114 VanDerWaalsContact C-N 3.33Å; K112-I114 PolarHBondContact O-N 2.92Å; K112-R115 PolarHBondContact O-N 3.45Å; K112-D116 WeakPolarHBondContact O-CB 3.42Å; K112-D116 VanDerWaalsContact O-CG 3.28Å; K112-D116 PolarHBondContact O-N 3.21Å |
| 113 | A | 94.9 | Very high | 93.2 | Very high | 55 Ų | 55 | 62.6 Ų | 62.6 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.5 | -41.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D109 F110 D116 L117 | D109-A113 WeakPolarHBondContact O-CB 3.31Å; D109-A113 PolarHBondContact O-N 3.36Å; F110-A113 PolarHBondContact O-N 3.06Å; A113-D116 PolarHBondContact O-N 2.98Å; A113-L117 WeakPolarHBondContact O-CB 3.47Å; A113-L117 PolarHBondContact O-N 3.45Å |
| 114 | I | 93.6 | Very high | 92.8 | Very high | 18 Ų | 18 | 66.1 Ų | 66.1 | 9% | 0.092 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69 | -40.2 | 176.8 | -63.7 | -63.8 | 0 | 0 | 0 | 111.5 | F46 F110 K112 D116 L117 I118 I181 M182 | F46-I114 HydrophobicContact CZ-CD1 4Å; F46-I114 HydrophobicContact CZ-CG1 4.44Å; F110-I114 WeakPolarHBondContact O-CG1 3.28Å; F110-I114 PolarHBondContact O-N 2.98Å; K112-I114 VanDerWaalsContact C-N 3.33Å; K112-I114 PolarHBondContact O-N 2.92Å; I114-D116 VanDerWaalsContact C-N 3.3Å; I114-D116 PolarHBondContact O-N 3.34Å; I114-L117 PolarHBondContact O-N 2.85Å; I114-I118 HydrophobicContact CG2-CD1 3.79Å; I114-I118 WeakPolarHBondContact O-CD1 3.42Å; I114-I118 VanDerWaalsContact O-CG1 3.3Å; I114-I118 WeakPolarHBondContact O-CG1 3.49Å; I114-I118 PolarHBondContact O-N 3.31Å; I114-I181 HydrophobicContact CG2-CG2 3.85Å; I114-M182 HydrophobicContact CB-CE 4.03Å; I114-M182 HydrophobicContact CG2-CE 3.61Å |
| 115 | R | 93.6 | Very high | 92.3 | Very high | 105 Ų | 105 | 60 Ų | 60 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 172.7 | -78.3 | -174.8 | -69.2 | -104.8 | 3.3 | 111.8 | E108 K111 K112 I118 R119 M182 | E108-R115 IonicContact OE2-NH2 2.64Å; K111-R115 WeakPolarHBondContact O-CB 3.45Å; K111-R115 VanDerWaalsContact O-CG 3.31Å; K111-R115 WeakPolarHBondContact O-CG 3.37Å; K111-R115 PolarHBondContact O-N 3.44Å; K111-R115 PolarHBondContact O-NE 3.12Å; K112-R115 PolarHBondContact O-N 3.45Å; R115-I118 PolarHBondContact O-N 3.28Å; R115-R119 WeakPolarHBondContact O-CB 3.26Å; R115-R119 PolarHBondContact O-N 2.94Å; R115-M182 HydrophobicContact CG-CE 3.79Å; R115-M182 HydrophobicContact CG-SD 4.42Å |
| 116 | D | 94.5 | Very high | 91.5 | Very high | 54 Ų | 54 | 60.4 Ų | 60.4 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 177 | -71.1 | -22.2 | 0 | 0 | 0 | 111.1 | K112 A113 I114 I118 R119 E120 | K112-D116 WeakPolarHBondContact O-CB 3.42Å; K112-D116 VanDerWaalsContact O-CG 3.28Å; K112-D116 PolarHBondContact O-N 3.21Å; A113-D116 PolarHBondContact O-N 2.98Å; I114-D116 VanDerWaalsContact C-N 3.3Å; I114-D116 PolarHBondContact O-N 3.34Å; D116-I118 PolarHBondContact O-N 2.98Å; D116-R119 WeakPolarHBondContact O-CB 3.37Å; D116-R119 PolarHBondContact O-N 3.47Å; D116-R119 IonicContact OD1-CZ 2.69Å; D116-R119 IonicContact OD1-NE 3.14Å; D116-R119 IonicContact OD1-NH2 3.58Å; D116-R119 PolarHBondContact OD1-NH2 3.32Å; D116-E120 WeakPolarHBondContact O-CG 3.47Å; D116-E120 PolarHBondContact O-N 3.43Å |
| 117 | L | 93.6 | Very high | 90.9 | Very high | 73 Ų | 73 | 62.8 Ų | 62.8 | 38% | 0.382 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59 | -46.5 | 174.1 | 178.7 | 63.7 | 0 | 0 | 0 | 112.6 | I42 A113 I114 R119 E120 F121 | I42-L117 HydrophobicContact CD1-CD2 3.98Å; A113-L117 WeakPolarHBondContact O-CB 3.47Å; A113-L117 PolarHBondContact O-N 3.45Å; I114-L117 PolarHBondContact O-N 2.85Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 3.01Å; L117-E120 WeakPolarHBondContact O-CB 3.1Å; L117-E120 PolarHBondContact O-N 3.48Å; L117-F121 HydrophobicContact CD1-CE1 4.32Å; L117-F121 HydrophobicContact CD1-CE2 4.22Å; L117-F121 HydrophobicContact CD1-CZ 3.84Å; L117-F121 HydrophobicContact CD2-CE2 4.4Å; L117-F121 HydrophobicContact CD2-CZ 4.47Å; L117-F121 HydrophobicContact CG-CE2 3.88Å; L117-F121 HydrophobicContact CG-CZ 4.01Å; L117-F121 PolarHBondContact O-N 2.88Å; L117-F121 VanDerWaalsContact O-N 3.13Å |
| 118 | I | 91.4 | Very high | 90.1 | Very high | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 178 | -67 | 159.3 | 0 | 0 | 0 | 110.7 | V39 I114 R115 D116 E120 F121 K122 I178 I181 | V39-I118 HydrophobicContact CG1-CD1 4.43Å; V39-I118 HydrophobicContact CG1-CG1 4.41Å; V39-I118 HydrophobicContact CG2-CG1 4.36Å; V39-I118 HydrophobicContact CG2-CG2 4.16Å; I114-I118 HydrophobicContact CG2-CD1 3.79Å; I114-I118 WeakPolarHBondContact O-CD1 3.42Å; I114-I118 VanDerWaalsContact O-CG1 3.3Å; I114-I118 WeakPolarHBondContact O-CG1 3.49Å; I114-I118 PolarHBondContact O-N 3.31Å; R115-I118 PolarHBondContact O-N 3.28Å; D116-I118 PolarHBondContact O-N 2.98Å; I118-E120 VanDerWaalsContact C-N 3.32Å; I118-E120 PolarHBondContact O-N 3.37Å; I118-F121 PolarHBondContact O-N 3.46Å; I118-K122 PolarHBondContact O-N 2.83Å; I118-I178 HydrophobicContact CD1-CG1 4.18Å; I118-I178 HydrophobicContact CD1-CG2 4.32Å; I118-I178 HydrophobicContact CG2-CD1 3.88Å; I118-I178 HydrophobicContact CG2-CG1 4.23Å; I118-I181 HydrophobicContact CD1-CD1 4.48Å |
| 119 | R | 91.3 | Very high | 89.2 | Confident | 126 Ų | 126 | 67 Ų | 67 | 48% | 0.475 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 174.5 | 178.3 | 169.2 | 57.6 | 122.9 | -0.2 | 111.6 | R115 D116 L117 K122 N123 | R115-R119 WeakPolarHBondContact O-CB 3.26Å; R115-R119 PolarHBondContact O-N 2.94Å; D116-R119 WeakPolarHBondContact O-CB 3.37Å; D116-R119 PolarHBondContact O-N 3.47Å; D116-R119 IonicContact OD1-CZ 2.69Å; D116-R119 IonicContact OD1-NE 3.14Å; D116-R119 IonicContact OD1-NH2 3.58Å; D116-R119 PolarHBondContact OD1-NH2 3.32Å; L117-R119 VanDerWaalsContact C-N 3.3Å; L117-R119 PolarHBondContact O-N 3.01Å; R119-K122 WeakPolarHBondContact O-CB 3.5Å; R119-K122 PolarHBondContact O-N 3.24Å; R119-N123 WeakPolarHBondContact O-CB 3.36Å; R119-N123 PolarHBondContact O-N 2.81Å; R119-N123 PolarHBondContact O-ND2 2.86Å; R119-N123 PolarHBondContact O-OD1 3.35Å |
| 120 | E | 91.7 | Very high | 88.3 | Confident | 97 Ų | 97 | 64.6 Ų | 64.6 | 45% | 0.453 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 173.8 | -70.4 | -53 | 131.6 | 0 | 0 | 112.6 | D116 L117 I118 N123 T124 | D116-E120 WeakPolarHBondContact O-CG 3.47Å; D116-E120 PolarHBondContact O-N 3.43Å; L117-E120 WeakPolarHBondContact O-CB 3.1Å; L117-E120 PolarHBondContact O-N 3.48Å; I118-E120 VanDerWaalsContact C-N 3.32Å; I118-E120 PolarHBondContact O-N 3.37Å; E120-N123 PolarHBondContact O-N 3.42Å; E120-T124 WeakPolarHBondContact O-CB 3.46Å; E120-T124 PolarHBondContact O-N 3.5Å; E120-T124 PolarHBondContact O-OG1 3.11Å |
| 121 | F | 88.6 | Confident | 87.5 | Confident | 66 Ų | 66 | 65.8 Ų | 65.8 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 171.9 | -62.9 | -39.9 | 0 | 0 | 0 | 112.3 | V39 I42 L117 I118 T124 G125 | V39-F121 HydrophobicContact CG2-CD2 4.3Å; I42-F121 HydrophobicContact CD1-CE2 3.66Å; I42-F121 HydrophobicContact CD1-CZ 4.37Å; L117-F121 HydrophobicContact CD1-CE1 4.32Å; L117-F121 HydrophobicContact CD1-CE2 4.22Å; L117-F121 HydrophobicContact CD1-CZ 3.84Å; L117-F121 HydrophobicContact CD2-CE2 4.4Å; L117-F121 HydrophobicContact CD2-CZ 4.47Å; L117-F121 HydrophobicContact CG-CE2 3.88Å; L117-F121 HydrophobicContact CG-CZ 4.01Å; L117-F121 PolarHBondContact O-N 2.88Å; L117-F121 VanDerWaalsContact O-N 3.13Å; I118-F121 PolarHBondContact O-N 3.46Å; F121-T124 PolarHBondContact O-N 3.07Å; F121-G125 PolarHBondContact O-N 2.96Å |
| 122 | K | 87.4 | Confident | 86.5 | Confident | 14 Ų | 14 | 66.8 Ų | 66.8 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 174.3 | -70.5 | -179.1 | 167.6 | -166.9 | 0 | 111.1 | V35 I118 R119 T124 G125 M126 L168 E169 | V35-K122 HydrophobicContact CG1-CG 4.43Å; I118-K122 PolarHBondContact O-N 2.83Å; R119-K122 WeakPolarHBondContact O-CB 3.5Å; R119-K122 PolarHBondContact O-N 3.24Å; K122-T124 VanDerWaalsContact C-N 3.33Å; K122-T124 PolarHBondContact O-N 3.01Å; K122-G125 PolarHBondContact O-N 3.5Å; K122-M126 WeakPolarHBondContact O-CG 3.49Å; K122-M126 PolarHBondContact O-N 3.19Å; K122-L168 PolarHBondContact NZ-O 3.23Å; K122-E169 VanDerWaalsContact NZ-CD 3.3Å; K122-E169 IonicContact NZ-OE1 3.52Å; K122-E169 PolarHBondContact NZ-OE1 2.81Å; K122-E169 IonicContact NZ-OE2 2.75Å; K122-E169 PolarHBondContact NZ-OE2 2.74Å |
| 123 | N | 88.2 | Confident | 85.4 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 35% | 0.348 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 179.3 | -69.3 | -16.4 | 0 | 0 | 0 | 112.2 | R119 E120 M126 S127 | R119-N123 WeakPolarHBondContact O-CB 3.36Å; R119-N123 PolarHBondContact O-N 2.81Å; R119-N123 PolarHBondContact O-ND2 2.86Å; R119-N123 PolarHBondContact O-OD1 3.35Å; E120-N123 PolarHBondContact O-N 3.42Å; N123-M126 HydrophobicContact CB-CE 4.44Å; N123-M126 CarbonylContact O-C 3.59Å; N123-M126 PolarHBondContact O-N 2.96Å; N123-M126 WeakPolarHBondContact OD1-CE 3.18Å; N123-S127 PolarHBondContact O-N 3.01Å |
| 124 | T | 86.7 | Confident | 84.6 | Confident | 87 Ų | 87 | 61.8 Ų | 61.8 | 53% | 0.534 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | E120 F121 K122 M126 S127 | E120-T124 WeakPolarHBondContact O-CB 3.46Å; E120-T124 PolarHBondContact O-N 3.5Å; E120-T124 PolarHBondContact O-OG1 3.11Å; F121-T124 PolarHBondContact O-N 3.07Å; K122-T124 VanDerWaalsContact C-N 3.33Å; K122-T124 PolarHBondContact O-N 3.01Å; T124-M126 VanDerWaalsContact C-N 3.31Å; T124-M126 PolarHBondContact O-N 3.06Å; T124-S127 WeakPolarHBondContact O-CB 3.44Å; T124-S127 PolarHBondContact O-N 3.41Å; T124-S127 PolarHBondContact O-OG 3.46Å |
| 125 | G | 81.9 | Confident | 84 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 7% | 0.072 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V31 F121 K122 S127 L128 | V31-G125 VanDerWaalsContact CG1-CA 3.43Å; F121-G125 PolarHBondContact O-N 2.96Å; K122-G125 PolarHBondContact O-N 3.5Å; G125-S127 VanDerWaalsContact C-N 3.31Å; G125-S127 PolarHBondContact O-N 2.87Å; G125-L128 PolarHBondContact O-N 3Å |
| 126 | M | 79.8 | Confident | 83.2 | Confident | 69 Ų | 69 | 68 Ų | 68 | 34% | 0.34 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -73 | -19 | 177.6 | -68.7 | -173.2 | -64.1 | 0 | 0 | 114.1 | K122 N123 T124 L128 N165 | K122-M126 WeakPolarHBondContact O-CG 3.49Å; K122-M126 PolarHBondContact O-N 3.19Å; N123-M126 HydrophobicContact CB-CE 4.44Å; N123-M126 CarbonylContact O-C 3.59Å; N123-M126 PolarHBondContact O-N 2.96Å; N123-M126 WeakPolarHBondContact OD1-CE 3.18Å; T124-M126 VanDerWaalsContact C-N 3.31Å; T124-M126 PolarHBondContact O-N 3.06Å; M126-L128 PolarHBondContact O-N 3.01Å; M126-N165 HydrophobicContact SD-CB 3.72Å; M126-N165 PolarHBondContact SD-OD1 3.32Å; M126-N165 VanDerWaalsContact SD-OD1 3.36Å |
| 127 | S | 82.3 | Confident | 82.2 | Confident | 89 Ų | 89 | 68 Ų | 68 | 62% | 0.622 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -13.3 | 177.3 | 74.5 | 0 | 0 | 0 | 0 | 113.4 | N123 T124 G125 M129 | N123-S127 PolarHBondContact O-N 3.01Å; T124-S127 WeakPolarHBondContact O-CB 3.44Å; T124-S127 PolarHBondContact O-N 3.41Å; T124-S127 PolarHBondContact O-OG 3.46Å; G125-S127 VanDerWaalsContact C-N 3.31Å; G125-S127 PolarHBondContact O-N 2.87Å; S127-M129 PolarHBondContact O-N 3.15Å |
| 128 | L | 77.7 | Confident | 81.3 | Confident | 99 Ų | 99 | 66.6 Ų | 66.6 | 52% | 0.518 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -74.6 | 112.8 | 176.9 | -68.6 | 166.3 | 0 | 0 | 0 | 110.1 | V31 G125 M126 | V31-L128 HydrophobicContact CB-CD1 4.36Å; V31-L128 HydrophobicContact CG1-CD1 4.2Å; V31-L128 HydrophobicContact CG2-CD1 3.2Å; G125-L128 PolarHBondContact O-N 3Å; M126-L128 PolarHBondContact O-N 3.01Å |
| 129 | M | 75.7 | Confident | 80.5 | Confident | 114 Ų | 114 | 70 Ų | 70 | 56% | 0.562 | 38% | 0.381 | S | S | * | . | trans | -70 | 126.8 | 177.9 | -167.4 | 176 | -149.4 | 0 | 0 | 109.9 | S127 G133 P135 | S127-M129 PolarHBondContact O-N 3.15Å; M129-G133 VanDerWaalsContact CE-C 3.47Å; M129-G133 WeakPolarHBondContact CE-O 3.42Å; M129-P135 HydrophobicContact CE-CG 4.5Å | ||
| 130 | P | 77.1 | Confident | 79.5 | Confident | 35 Ų | 35 | 68.4 Ų | 68.4 | 23% | 0.227 | 38% | 0.381 | C | S | . | . | trans | -65.9 | 149.8 | 169.9 | 26.7 | -31.4 | 0 | 0 | 0 | 110.4 | F28 T132 G133 D134 | F28-P130 HydrophobicContact CE1-CB 4.14Å; F28-P130 HydrophobicContact CZ-CB 3.72Å; F28-P130 HydrophobicContact CZ-CG 4.18Å; P130-T132 PolarHBondContact O-N 3.34Å; P130-G133 WeakPolarHBondContact O-CA 3.47Å; P130-G133 PolarHBondContact O-N 3.34Å; P130-D134 PolarHBondContact O-N 3.18Å | ||
| 131 | L | 78.1 | Confident | 78.5 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -60 | -31.6 | 172.6 | -72.4 | 150.2 | 0 | 0 | 0 | 111.2 | I20 V23 D24 M27 G133 D134 M137 | I20-L131 HydrophobicContact CG2-CB 4.1Å; V23-L131 HydrophobicContact CB-CD1 3.9Å; V23-L131 HydrophobicContact CG1-CD1 3.28Å; D24-L131 WeakPolarHBondContact OD1-CB 3.46Å; D24-L131 PolarHBondContact OD1-N 3.29Å; M27-L131 HydrophobicContact CE-CD1 3.96Å; M27-L131 HydrophobicContact CE-CG 4.07Å; M27-L131 HydrophobicContact SD-CD1 4.48Å; L131-G133 PolarHBondContact O-N 3.43Å; L131-D134 WeakPolarHBondContact O-CB 3.41Å; L131-D134 PolarHBondContact O-N 3.06Å; L131-M137 VanDerWaalsContact O-CB 3.27Å; L131-M137 WeakPolarHBondContact O-CB 3.34Å |
| 132 | T | 73.3 | Confident | 77.6 | Confident | 51 Ų | 51 | 67.1 Ų | 67.1 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -63 | -22.5 | 170.6 | 43.4 | 0 | 0 | 0 | 0 | 114.4 | I20 D24 P130 I141 | I20-T132 HydrophobicContact CG2-CG2 3.92Å; D24-T132 VanDerWaalsContact OD2-CB 3.24Å; D24-T132 WeakPolarHBondContact OD2-CB 3.45Å; D24-T132 WeakPolarHBondContact OD2-CG2 3.3Å; D24-T132 PolarHBondContact OD2-N 3.14Å; D24-T132 PolarHBondContact OD2-OG1 3.2Å; P130-T132 PolarHBondContact O-N 3.34Å; T132-I141 HydrophobicContact CG2-CD1 4.17Å |
| 133 | G | 71.8 | Confident | 76.7 | Confident | 29 Ų | 29 | 73.2 Ų | 73.2 | 30% | 0.299 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -94.7 | -12.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | M129 P130 L131 | M129-G133 VanDerWaalsContact CE-C 3.47Å; M129-G133 WeakPolarHBondContact CE-O 3.42Å; P130-G133 WeakPolarHBondContact O-CA 3.47Å; P130-G133 PolarHBondContact O-N 3.34Å; L131-G133 PolarHBondContact O-N 3.43Å |
| 134 | D | 78.9 | Confident | 75.7 | Confident | 45 Ų | 45 | 71.1 Ų | 71.1 | 24% | 0.241 | 39% | 0.391 | C | S | . | . | trans | -61.6 | 123.9 | -175.1 | -176.7 | -25.3 | 0 | 0 | 0 | 110.8 | P130 L131 E136 M137 V138 | P130-D134 PolarHBondContact O-N 3.18Å; L131-D134 WeakPolarHBondContact O-CB 3.41Å; L131-D134 PolarHBondContact O-N 3.06Å; D134-E136 PolarHBondContact O-N 2.96Å; D134-E136 PolarHBondContact OD1-N 2.86Å; D134-M137 HydrophobicContact CB-CB 4.01Å; D134-M137 HydrophobicContact CB-CG 3.87Å; D134-M137 PolarHBondContact O-N 3.07Å; D134-V138 VanDerWaalsContact O-CG2 3.27Å; D134-V138 WeakPolarHBondContact O-CG2 3.46Å; D134-V138 PolarHBondContact O-N 3.37Å | ||
| 135 | P | 79.7 | Confident | 74.7 | Confident | 95 Ų | 95 | 70.3 Ų | 70.3 | 62% | 0.617 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.3 | -178.5 | -24.4 | 34.8 | 0 | 0 | 0 | 114.5 | M129 P139 | M129-P135 HydrophobicContact CE-CG 4.5Å; P135-P139 VanDerWaalsContact O-CD 3.27Å; P135-P139 WeakPolarHBondContact O-CD 3.32Å |
| 136 | E | 77.9 | Confident | 73.9 | Confident | 159 Ų | 159 | 75.5 Ų | 75.5 | 74% | 0.743 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -27.3 | 176.3 | -63 | -170 | 175 | 0 | 0 | 112.3 | D134 | D134-E136 PolarHBondContact O-N 2.96Å; D134-E136 PolarHBondContact OD1-N 2.86Å |
| 137 | M | 73.4 | Confident | 73.2 | Confident | 54 Ų | 54 | 73.9 Ų | 73.9 | 27% | 0.266 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -29.5 | -178.2 | -61 | -64.7 | 172.7 | 0 | 0 | 112.8 | L131 D134 L140 I141 | L131-M137 VanDerWaalsContact O-CB 3.27Å; L131-M137 WeakPolarHBondContact O-CB 3.34Å; D134-M137 HydrophobicContact CB-CB 4.01Å; D134-M137 HydrophobicContact CB-CG 3.87Å; D134-M137 PolarHBondContact O-N 3.07Å; M137-L140 WeakPolarHBondContact O-CB 3.24Å; M137-L140 PolarHBondContact O-N 2.76Å; M137-L140 HydrophobicContact SD-CD1 4.41Å; M137-I141 HydrophobicContact CB-CD1 3.87Å; M137-I141 VanDerWaalsContact O-CG1 3.25Å; M137-I141 WeakPolarHBondContact O-CG1 3.37Å; M137-I141 PolarHBondContact O-N 3.19Å |
| 138 | V | 73.8 | Confident | 72.3 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 26% | 0.261 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -52 | -47.7 | -178.8 | 164.9 | 0 | 0 | 0 | 0 | 112.8 | D134 L140 I141 E142 | D134-V138 VanDerWaalsContact O-CG2 3.27Å; D134-V138 WeakPolarHBondContact O-CG2 3.46Å; D134-V138 PolarHBondContact O-N 3.37Å; V138-L140 VanDerWaalsContact C-N 3.3Å; V138-L140 PolarHBondContact O-N 3.26Å; V138-I141 PolarHBondContact O-N 3.43Å; V138-E142 HydrophobicContact CG1-CG 4.26Å; V138-E142 WeakPolarHBondContact O-CB 3.35Å; V138-E142 WeakPolarHBondContact O-CG 3.36Å; V138-E142 PolarHBondContact O-N 2.86Å |
| 139 | P | 76.3 | Confident | 71.6 | Confident | 78 Ų | 78 | 67.2 Ų | 67.2 | 51% | 0.506 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.2 | -33.2 | 178.8 | -21.8 | 33.6 | 0 | 0 | 0 | 113.5 | P135 F143 | P135-P139 VanDerWaalsContact O-CD 3.27Å; P135-P139 WeakPolarHBondContact O-CD 3.32Å; P139-F143 VanDerWaalsContact O-CB 3.3Å; P139-F143 WeakPolarHBondContact O-CB 3.37Å; P139-F143 PolarHBondContact O-N 2.93Å |
| 140 | L | 70 | Confident | 71 | Confident | 92 Ų | 92 | 69.8 Ų | 69.8 | 48% | 0.482 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.9 | -43.7 | 177 | -64.3 | 173.7 | 0 | 0 | 0 | 110.4 | M137 V138 E144 | M137-L140 WeakPolarHBondContact O-CB 3.24Å; M137-L140 PolarHBondContact O-N 2.76Å; M137-L140 HydrophobicContact SD-CD1 4.41Å; V138-L140 VanDerWaalsContact C-N 3.3Å; V138-L140 PolarHBondContact O-N 3.26Å; L140-E144 WeakPolarHBondContact O-CB 3.37Å; L140-E144 WeakPolarHBondContact O-CG 3.41Å; L140-E144 PolarHBondContact O-N 3.32Å |
| 141 | I | 69.8 | Low | 70.1 | Confident | 11 Ų | 11 | 74.4 Ų | 74.4 | 6% | 0.056 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.2 | -43.9 | -179.4 | -65.8 | 167 | 0 | 0 | 0 | 111 | Y17 I20 T132 M137 V138 E144 Q145 | Y17-I141 HydrophobicContact CD2-CG2 3.99Å; Y17-I141 HydrophobicContact CE2-CG2 3.8Å; I20-I141 HydrophobicContact CD1-CD1 4.19Å; I20-I141 HydrophobicContact CD1-CG1 3.92Å; I20-I141 HydrophobicContact CG2-CD1 4.02Å; T132-I141 HydrophobicContact CG2-CD1 4.17Å; M137-I141 HydrophobicContact CB-CD1 3.87Å; M137-I141 VanDerWaalsContact O-CG1 3.25Å; M137-I141 WeakPolarHBondContact O-CG1 3.37Å; M137-I141 PolarHBondContact O-N 3.19Å; V138-I141 PolarHBondContact O-N 3.43Å; I141-E144 PolarHBondContact O-N 3.37Å; I141-Q145 WeakPolarHBondContact O-CB 3.36Å; I141-Q145 PolarHBondContact O-N 2.75Å |
| 142 | E | 70.2 | Confident | 69.2 | Low | 124 Ų | 124 | 78.1 Ų | 78.1 | 58% | 0.579 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 177.6 | -75.9 | -176.3 | 169.7 | 0 | 0 | 112 | V138 H146 | V138-E142 HydrophobicContact CG1-CG 4.26Å; V138-E142 WeakPolarHBondContact O-CB 3.35Å; V138-E142 WeakPolarHBondContact O-CG 3.36Å; V138-E142 PolarHBondContact O-N 2.86Å; E142-H146 WeakPolarHBondContact O-CB 3.41Å; E142-H146 PolarHBondContact O-N 3.21Å |
| 143 | F | 69 | Low | 68.5 | Low | 143 Ų | 143 | 83.7 Ų | 83.7 | 63% | 0.627 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.4 | -48.2 | 176.1 | 178.9 | -98.9 | 0 | 0 | 0 | 111.2 | P139 H146 V147 | P139-F143 VanDerWaalsContact O-CB 3.3Å; P139-F143 WeakPolarHBondContact O-CB 3.37Å; P139-F143 PolarHBondContact O-N 2.93Å; F143-H146 PolarHBondContact O-N 3.39Å; F143-V147 HydrophobicContact CE1-CG2 4.49Å; F143-V147 WeakPolarHBondContact O-CG2 3.45Å; F143-V147 PolarHBondContact O-N 3.01Å |
| 144 | E | 66.8 | Low | 67.9 | Low | 20 Ų | 20 | 84.6 Ų | 84.6 | 9% | 0.093 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.8 | -37.4 | 179.5 | -70.7 | -158.8 | 163.3 | 0 | 0 | 113.1 | C13 F16 L140 I141 H146 V147 C148 | C13-E144 WeakPolarHBondContact CA-OE2 3.46Å; C13-E144 HydrophobicContact CB-CB 4.19Å; C13-E144 HydrophobicContact CB-CG 3.98Å; C13-E144 VanDerWaalsContact O-OE2 3.08Å; C13-E144 PolarHBondContact SG-OE1 3.41Å; C13-E144 VanDerWaalsContact SG-OE1 3.35Å; F16-E144 VanDerWaalsContact CD1-OE2 3.23Å; F16-E144 WeakPolarHBondContact CD1-OE2 3.34Å; L140-E144 WeakPolarHBondContact O-CB 3.37Å; L140-E144 WeakPolarHBondContact O-CG 3.41Å; L140-E144 PolarHBondContact O-N 3.32Å; I141-E144 PolarHBondContact O-N 3.37Å; E144-H146 VanDerWaalsContact C-N 3.34Å; E144-H146 PolarHBondContact O-N 3.43Å; E144-V147 PolarHBondContact O-N 3.23Å; E144-C148 WeakPolarHBondContact O-CB 3.25Å; E144-C148 PolarHBondContact O-N 3.45Å; E144-C148 PolarHBondContact O-SG 2.83Å |
| 145 | Q | 65.1 | Low | 66.7 | Low | 70 Ų | 70 | 90.1 Ų | 90.1 | 33% | 0.327 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 175.3 | -180 | 165.8 | 24.2 | 0 | 0 | 111.2 | I141 C148 V149 L158 | I141-Q145 WeakPolarHBondContact O-CB 3.36Å; I141-Q145 PolarHBondContact O-N 2.75Å; Q145-C148 PolarHBondContact O-N 2.93Å; Q145-V149 HydrophobicContact CG-CG2 4.29Å; Q145-V149 WeakPolarHBondContact O-CB 3.49Å; Q145-V149 VanDerWaalsContact O-CG2 3.22Å; Q145-V149 WeakPolarHBondContact O-CG2 3.3Å; Q145-V149 PolarHBondContact O-N 3.43Å; Q145-L158 HydrophobicContact CB-CD2 4.34Å; Q145-L158 HydrophobicContact CG-CD2 3.53Å |
| 146 | H | 66.3 | Low | 65.3 | Low | 117 Ų | 117 | 93.8 Ų | 93.8 | 54% | 0.542 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 174.7 | -164.3 | 81.8 | 0 | 0 | 0 | 111.5 | E142 F143 E144 Y150 | E142-H146 WeakPolarHBondContact O-CB 3.41Å; E142-H146 PolarHBondContact O-N 3.21Å; F143-H146 PolarHBondContact O-N 3.39Å; E144-H146 VanDerWaalsContact C-N 3.34Å; E144-H146 PolarHBondContact O-N 3.43Å; H146-Y150 AromaticContact CD2-CD2 3.89Å; H146-Y150 AromaticContact CE1-CD2 3.63Å; H146-Y150 AromaticContact CE1-CE2 3.3Å; H146-Y150 WeakPolarHBondContact CE1-CE2 3.49Å; H146-Y150 AromaticContact NE2-CD2 3.49Å; H146-Y150 WeakPolarHBondContact NE2-CD2 3.45Å; H146-Y150 AromaticContact NE2-CE2 3.37Å; H146-Y150 WeakPolarHBondContact NE2-CE2 3.33Å; H146-Y150 WeakPolarHBondContact O-CB 3.41Å; H146-Y150 PolarHBondContact O-N 3.3Å |
| 147 | V | 64.3 | Low | 64 | Low | 34 Ų | 34 | 93.3 Ų | 93.3 | 21% | 0.206 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 176.5 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | F143 E144 F151 | F143-V147 HydrophobicContact CE1-CG2 4.49Å; F143-V147 WeakPolarHBondContact O-CG2 3.45Å; F143-V147 PolarHBondContact O-N 3.01Å; E144-V147 PolarHBondContact O-N 3.23Å; V147-F151 HydrophobicContact CG1-CD2 4.27Å; V147-F151 WeakPolarHBondContact O-CB 3.5Å; V147-F151 WeakPolarHBondContact O-CD2 3.45Å; V147-F151 PolarHBondContact O-N 3.4Å; V147-F151 VanDerWaalsContact O-N 3.16Å |
| 148 | C | 63.3 | Low | 63 | Low | 6 Ų | 6 | 91.6 Ų | 91.6 | 4% | 0.041 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 180 | -66.1 | 0 | 0 | 0 | 0 | 112.4 | E144 Q145 W152 | E144-C148 WeakPolarHBondContact O-CB 3.25Å; E144-C148 PolarHBondContact O-N 3.45Å; E144-C148 PolarHBondContact O-SG 2.83Å; Q145-C148 PolarHBondContact O-N 2.93Å; C148-W152 WeakPolarHBondContact O-CB 3.48Å; C148-W152 PolarHBondContact O-N 3.1Å; C148-W152 VanDerWaalsContact O-N 3.13Å |
| 149 | V | 63.6 | Low | 62.1 | Low | 42 Ų | 42 | 96.6 Ų | 96.6 | 26% | 0.255 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.3 | -41.4 | 179.9 | 173 | 0 | 0 | 0 | 0 | 111.6 | Q145 H153 L158 | Q145-V149 HydrophobicContact CG-CG2 4.29Å; Q145-V149 WeakPolarHBondContact O-CB 3.49Å; Q145-V149 VanDerWaalsContact O-CG2 3.22Å; Q145-V149 WeakPolarHBondContact O-CG2 3.3Å; Q145-V149 PolarHBondContact O-N 3.43Å; V149-H153 PolarHBondContact O-N 2.97Å; V149-L158 HydrophobicContact CG2-CD2 4.35Å |
| 150 | Y | 63.5 | Low | 61.3 | Low | 169 Ų | 169 | 96 Ų | 96 | 66% | 0.663 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.9 | -39 | 179.7 | -106 | -93.6 | 0 | 0 | 0 | 113.6 | H146 | H146-Y150 AromaticContact CD2-CD2 3.89Å; H146-Y150 AromaticContact CE1-CD2 3.63Å; H146-Y150 AromaticContact CE1-CE2 3.3Å; H146-Y150 WeakPolarHBondContact CE1-CE2 3.49Å; H146-Y150 AromaticContact NE2-CD2 3.49Å; H146-Y150 WeakPolarHBondContact NE2-CD2 3.45Å; H146-Y150 AromaticContact NE2-CE2 3.37Å; H146-Y150 WeakPolarHBondContact NE2-CE2 3.33Å; H146-Y150 WeakPolarHBondContact O-CB 3.41Å; H146-Y150 PolarHBondContact O-N 3.3Å |
| 151 | F | 58 | Low | 61 | Low | 131 Ų | 131 | 93.5 Ų | 93.5 | 58% | 0.575 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -88.2 | -23.1 | -175.3 | -84.8 | -85.6 | 0 | 0 | 0 | 114.2 | V147 | V147-F151 HydrophobicContact CG1-CD2 4.27Å; V147-F151 WeakPolarHBondContact O-CB 3.5Å; V147-F151 WeakPolarHBondContact O-CD2 3.45Å; V147-F151 PolarHBondContact O-N 3.4Å; V147-F151 VanDerWaalsContact O-N 3.16Å |
| 152 | W | 58.8 | Low | 60.9 | Low | 128 Ų | 128 | 97.5 Ų | 97.5 | 49% | 0.485 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -130.6 | 0 | -169.7 | -62.6 | 95 | 0 | 0 | 0 | 116 | T10 C148 L154 | T10-W152 VanDerWaalsContact CG2-NE1 3.3Å; C148-W152 WeakPolarHBondContact O-CB 3.48Å; C148-W152 PolarHBondContact O-N 3.1Å; C148-W152 VanDerWaalsContact O-N 3.13Å; W152-L154 HydrophobicContact CB-CD1 3.46Å; W152-L154 VanDerWaalsContact CB-CD1 3.46Å; W152-L154 HydrophobicContact CG-CD1 4.46Å; W152-L154 PolarHBondContact O-N 2.9Å; W152-L154 VanDerWaalsContact O-N 3.09Å |
| 153 | H | 57.6 | Low | 61.2 | Low | 167 Ų | 167 | 94.4 Ų | 94.4 | 77% | 0.773 | 47% | 0.473 | S | S | * | . | trans | 54.9 | 25.8 | 179.6 | -64.2 | -73.4 | 0 | 0 | 0 | 114.7 | V149 K155 | V149-H153 PolarHBondContact O-N 2.97Å; H153-K155 PolarHBondContact O-N 3.35Å | ||
| 154 | L | 59 | Low | 61.6 | Low | 49 Ų | 49 | 88.3 Ų | 88.3 | 26% | 0.257 | 45% | 0.447 | S | S | . | . | trans | -73.4 | 32.1 | -176.2 | -107.8 | 89.6 | 0 | 0 | 0 | 114.8 | W152 E156 E157 L158 | W152-L154 HydrophobicContact CB-CD1 3.46Å; W152-L154 VanDerWaalsContact CB-CD1 3.46Å; W152-L154 HydrophobicContact CG-CD1 4.46Å; W152-L154 PolarHBondContact O-N 2.9Å; W152-L154 VanDerWaalsContact O-N 3.09Å; L154-E156 VanDerWaalsContact C-N 3.32Å; L154-E156 PolarHBondContact O-N 2.76Å; L154-E157 HydrophobicContact CD2-CB 4.2Å; L154-E157 WeakPolarHBondContact CD2-OE2 3.37Å; L154-E157 HydrophobicContact CG-CB 4.43Å; L154-E157 PolarHBondContact O-N 3.14Å; L154-L158 HydrophobicContact CB-CD1 3.93Å; L154-L158 HydrophobicContact CD2-CD1 4.28Å; L154-L158 WeakPolarHBondContact O-CD1 3.17Å; L154-L158 PolarHBondContact O-N 2.58Å | ||
| 155 | K | 54.3 | Low | 62.2 | Low | 160 Ų | 160 | 90.9 Ų | 90.9 | 70% | 0.696 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -35 | -167 | -146.3 | -179.7 | -176.8 | -173.4 | 0 | 113.5 | H153 | H153-K155 PolarHBondContact O-N 3.35Š|
| 156 | E | 50.2 | Low | 63 | Low | 172 Ų | 172 | 89.9 Ų | 89.9 | 80% | 0.804 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -35 | 180 | -75.5 | 178.5 | 161.8 | 0 | 0 | 113.2 | L154 L158 E159 | L154-E156 VanDerWaalsContact C-N 3.32Å; L154-E156 PolarHBondContact O-N 2.76Å; E156-L158 PolarHBondContact O-N 2.92Å; E156-E159 PolarHBondContact O-N 3.47Å |
| 157 | E | 51.1 | Low | 63.9 | Low | 150 Ų | 150 | 86.9 Ų | 86.9 | 70% | 0.701 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -16.2 | 176.9 | -70 | -173.9 | 168.8 | 0 | 0 | 112.8 | L154 | L154-E157 HydrophobicContact CD2-CB 4.2Å; L154-E157 WeakPolarHBondContact CD2-OE2 3.37Å; L154-E157 HydrophobicContact CG-CB 4.43Å; L154-E157 PolarHBondContact O-N 3.14Å |
| 158 | L | 53 | Low | 64.8 | Low | 17 Ų | 17 | 85.2 Ų | 85.2 | 9% | 0.089 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -6.9 | 176 | -94.3 | 89.8 | 0 | 0 | 0 | 114.4 | Y17 R21 Q145 V149 L154 E156 G160 | Y17-L158 HydrophobicContact CD1-CD2 4.49Å; Y17-L158 HydrophobicContact CE1-CD1 4.31Å; Y17-L158 HydrophobicContact CE1-CD2 3.71Å; Y17-L158 HydrophobicContact CE1-CG 3.63Å; Y17-L158 HydrophobicContact CE2-CD2 4.22Å; R21-L158 PolarHBondContact NH1-O 3.42Å; Q145-L158 HydrophobicContact CB-CD2 4.34Å; Q145-L158 HydrophobicContact CG-CD2 3.53Å; V149-L158 HydrophobicContact CG2-CD2 4.35Å; L154-L158 HydrophobicContact CB-CD1 3.93Å; L154-L158 HydrophobicContact CD2-CD1 4.28Å; L154-L158 WeakPolarHBondContact O-CD1 3.17Å; L154-L158 PolarHBondContact O-N 2.58Å; E156-L158 PolarHBondContact O-N 2.92Å; L158-G160 PolarHBondContact O-N 3.08Å |
| 159 | E | 54 | Low | 65.8 | Low | 149 Ų | 149 | 89.3 Ų | 89.3 | 70% | 0.696 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -59.2 | 128.5 | 173.2 | -85.2 | -175.7 | 159 | 0 | 0 | 109.5 | R21 E156 G161 | R21-E159 PolarHBondContact NH2-O 2.98Å; R21-E159 VanDerWaalsContact NH2-O 3.11Å; E156-E159 PolarHBondContact O-N 3.47Å; E159-G161 PolarHBondContact O-N 2.97Å |
| 160 | G | 59.9 | Low | 66.8 | Low | 66 Ų | 66 | 94.1 Ų | 94.1 | 68% | 0.68 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 134.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L158 | L158-G160 PolarHBondContact O-N 3.08Š|
| 161 | G | 63.6 | Low | 68 | Low | 39 Ų | 39 | 87.3 Ų | 87.3 | 40% | 0.402 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 169.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E159 S163 | E159-G161 PolarHBondContact O-N 2.97Å; G161-S163 PolarHBondContact O-N 3.27Å |
| 162 | P | 68.2 | Low | 69.6 | Low | 94 Ų | 94 | 88.2 Ų | 88.2 | 61% | 0.61 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 139.2 | 178.2 | 24.9 | -33.7 | 0 | 0 | 0 | 110.5 | T166 V167 | P162-T166 HydrophobicContact CB-CG2 4.45Å; P162-V167 HydrophobicContact CB-CG2 4.26Å; P162-V167 HydrophobicContact CG-CG2 4.16Å |
| 163 | S | 74.9 | Confident | 71.2 | Confident | 59 Ų | 59 | 87.8 Ų | 87.8 | 41% | 0.413 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 151.3 | 178.1 | 75.4 | 0 | 0 | 0 | 0 | 110.7 | G161 N165 T166 V167 | G161-S163 PolarHBondContact O-N 3.27Å; S163-N165 PolarHBondContact O-N 3.22Å; S163-N165 VanDerWaalsContact O-N 3.12Å; S163-T166 WeakPolarHBondContact O-CA 3.39Å; S163-T166 WeakPolarHBondContact O-CB 3.32Å; S163-T166 PolarHBondContact O-N 2.92Å; S163-T166 PolarHBondContact OG-N 3.36Å; S163-T166 PolarHBondContact OG-OG1 3.13Å; S163-V167 PolarHBondContact O-N 3.28Å |
| 164 | L | 77.8 | Confident | 72.7 | Confident | 15 Ų | 15 | 79.8 Ų | 79.8 | 8% | 0.079 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -53.8 | -33.6 | 175.3 | 177.9 | 62.4 | 0 | 0 | 0 | 112.2 | F28 V31 H32 V167 L168 | F28-L164 HydrophobicContact CB-CD1 4.26Å; F28-L164 HydrophobicContact CD1-CB 4.09Å; F28-L164 HydrophobicContact CD1-CD2 3.92Å; F28-L164 HydrophobicContact CD1-CG 4.49Å; F28-L164 HydrophobicContact CE1-CB 4.35Å; F28-L164 HydrophobicContact CE1-CD2 4.48Å; F28-L164 HydrophobicContact CG-CB 4.24Å; V31-L164 HydrophobicContact CB-CD2 4.26Å; V31-L164 HydrophobicContact CG1-CD2 3.85Å; H32-L164 HydrophobicContact CB-CD1 4.16Å; L164-V167 PolarHBondContact O-N 3.5Å; L164-L168 HydrophobicContact CD1-CD1 4.09Å; L164-L168 HydrophobicContact CD1-CG 4.09Å; L164-L168 HydrophobicContact CD2-CD1 4.49Å; L164-L168 HydrophobicContact CG-CD1 3.91Å; L164-L168 HydrophobicContact CG-CG 4.35Å; L164-L168 WeakPolarHBondContact O-CB 3.24Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å; L164-L168 PolarHBondContact O-N 3.15Å |
| 165 | N | 80.5 | Confident | 74.3 | Confident | 75 Ų | 75 | 81.2 Ų | 81.2 | 40% | 0.401 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 174.3 | -176.1 | 35.6 | 0 | 0 | 0 | 111.7 | M126 S163 V167 L168 E169 | M126-N165 HydrophobicContact SD-CB 3.72Å; M126-N165 PolarHBondContact SD-OD1 3.32Å; M126-N165 VanDerWaalsContact SD-OD1 3.36Å; S163-N165 PolarHBondContact O-N 3.22Å; S163-N165 VanDerWaalsContact O-N 3.12Å; N165-V167 VanDerWaalsContact C-N 3.3Å; N165-V167 PolarHBondContact O-N 3.1Å; N165-L168 PolarHBondContact O-N 3.02Å; N165-E169 WeakPolarHBondContact O-CB 3.3Å; N165-E169 WeakPolarHBondContact O-CG 3.48Å; N165-E169 PolarHBondContact O-N 3.38Å |
| 166 | T | 81.4 | Confident | 76.2 | Confident | 48 Ų | 48 | 75 Ų | 75 | 29% | 0.294 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 176 | -46.9 | 0 | 0 | 0 | 0 | 110.9 | P162 S163 E169 E170 | P162-T166 HydrophobicContact CB-CG2 4.45Å; S163-T166 WeakPolarHBondContact O-CA 3.39Å; S163-T166 WeakPolarHBondContact O-CB 3.32Å; S163-T166 PolarHBondContact O-N 2.92Å; S163-T166 PolarHBondContact OG-N 3.36Å; S163-T166 PolarHBondContact OG-OG1 3.13Å; T166-E169 PolarHBondContact O-N 3.37Å; T166-E170 HydrophobicContact CG2-CG 4.46Å; T166-E170 WeakPolarHBondContact CG2-OE1 3.41Å; T166-E170 WeakPolarHBondContact O-CB 3.45Å; T166-E170 WeakPolarHBondContact O-CG 3.26Å; T166-E170 PolarHBondContact O-N 2.95Å |
| 167 | V | 84.3 | Confident | 78.2 | Confident | 54 Ų | 54 | 67 Ų | 67 | 33% | 0.327 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 178.3 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | P162 S163 L164 N165 D171 | P162-V167 HydrophobicContact CB-CG2 4.26Å; P162-V167 HydrophobicContact CG-CG2 4.16Å; S163-V167 PolarHBondContact O-N 3.28Å; L164-V167 PolarHBondContact O-N 3.5Å; N165-V167 VanDerWaalsContact C-N 3.3Å; N165-V167 PolarHBondContact O-N 3.1Å; V167-D171 VanDerWaalsContact O-CB 3.26Å; V167-D171 WeakPolarHBondContact O-CB 3.16Å; V167-D171 PolarHBondContact O-N 3.49Å |
| 168 | L | 83.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.7 | -30 | -179.5 | -74.1 | 170.5 | 0 | 0 | 0 | 113.9 | V35 K122 L164 N165 L174 | V35-L168 HydrophobicContact CB-CD2 4.25Å; V35-L168 HydrophobicContact CG1-CD2 4.12Å; K122-L168 PolarHBondContact NZ-O 3.23Å; L164-L168 HydrophobicContact CD1-CD1 4.09Å; L164-L168 HydrophobicContact CD1-CG 4.09Å; L164-L168 HydrophobicContact CD2-CD1 4.49Å; L164-L168 HydrophobicContact CG-CD1 3.91Å; L164-L168 HydrophobicContact CG-CG 4.35Å; L164-L168 WeakPolarHBondContact O-CB 3.24Å; L164-L168 WeakPolarHBondContact O-CG 3.42Å; L164-L168 PolarHBondContact O-N 3.15Å; N165-L168 PolarHBondContact O-N 3.02Å; L168-L174 HydrophobicContact CD2-CD2 4.15Å |
| 169 | E | 83.4 | Confident | 82.2 | Confident | 91 Ų | 91 | 66.5 Ų | 66.5 | 43% | 0.425 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -76.6 | -40 | 176.5 | -73.2 | -53.5 | 133.5 | 0 | 0 | 112 | K122 N165 T166 Q175 | K122-E169 VanDerWaalsContact NZ-CD 3.3Å; K122-E169 IonicContact NZ-OE1 3.52Å; K122-E169 PolarHBondContact NZ-OE1 2.81Å; K122-E169 IonicContact NZ-OE2 2.75Å; K122-E169 PolarHBondContact NZ-OE2 2.74Å; N165-E169 WeakPolarHBondContact O-CB 3.3Å; N165-E169 WeakPolarHBondContact O-CG 3.48Å; N165-E169 PolarHBondContact O-N 3.38Å; T166-E169 PolarHBondContact O-N 3.37Å; E169-Q175 PolarHBondContact O-NE2 2.9Å |
| 170 | E | 85.8 | Confident | 84.1 | Confident | 144 Ų | 144 | 64.6 Ų | 64.6 | 67% | 0.673 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -88.8 | -6 | -176.5 | -63.1 | 177.8 | -178.6 | 0 | 0 | 113.9 | T166 I172 | T166-E170 HydrophobicContact CG2-CG 4.46Å; T166-E170 WeakPolarHBondContact CG2-OE1 3.41Å; T166-E170 WeakPolarHBondContact O-CB 3.45Å; T166-E170 WeakPolarHBondContact O-CG 3.26Å; T166-E170 PolarHBondContact O-N 2.95Å; E170-I172 PolarHBondContact O-N 3.24Å |
| 171 | D | 88.8 | Confident | 85.7 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | trans | -62.1 | 105.8 | 179.9 | -174.2 | -32.9 | 0 | 0 | 0 | 111.9 | H32 V167 H173 L174 Q175 | H32-D171 IonicContact CD2-OD2 3.34Å; H32-D171 IonicContact CE1-OD2 2.81Å; H32-D171 PolarHBondContact CE1-OD2 3.06Å; H32-D171 IonicContact NE2-OD2 3.87Å; H32-D171 PolarHBondContact NE2-OD2 3.26Å; V167-D171 VanDerWaalsContact O-CB 3.26Å; V167-D171 WeakPolarHBondContact O-CB 3.16Å; V167-D171 PolarHBondContact O-N 3.49Å; D171-H173 VanDerWaalsContact C-N 3.26Å; D171-H173 PolarHBondContact O-N 2.94Å; D171-H173 VanDerWaalsContact OD1-CA 3.28Å; D171-H173 WeakPolarHBondContact OD1-CA 3.48Å; D171-H173 VanDerWaalsContact OD1-CB 3.23Å; D171-H173 WeakPolarHBondContact OD1-CB 3.37Å; D171-H173 PolarHBondContact OD1-N 3.12Å; D171-L174 HydrophobicContact CB-CB 3.86Å; D171-L174 PolarHBondContact O-N 2.86Å; D171-L174 PolarHBondContact OD1-N 2.89Å; D171-Q175 VanDerWaalsContact O-CG 3.25Å; D171-Q175 WeakPolarHBondContact O-CG 3.38Å; D171-Q175 PolarHBondContact O-N 3.32Å | ||
| 172 | I | 91.1 | Very high | 87.1 | Confident | 151 Ų | 151 | 60.8 Ų | 60.8 | 77% | 0.774 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58.9 | -37.2 | 179.5 | -60.4 | 168 | 0 | 0 | 0 | 111.8 | E170 G176 | E170-I172 PolarHBondContact O-N 3.24Å; I172-G176 PolarHBondContact O-N 2.94Å |
| 173 | H | 91.3 | Very high | 88.3 | Confident | 118 Ų | 118 | 60 Ų | 60 | 55% | 0.546 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.3 | -47.5 | 179.6 | -175.9 | -102.4 | 0 | 0 | 0 | 110.9 | D171 Q175 G176 I177 | D171-H173 VanDerWaalsContact C-N 3.26Å; D171-H173 PolarHBondContact O-N 2.94Å; D171-H173 VanDerWaalsContact OD1-CA 3.28Å; D171-H173 WeakPolarHBondContact OD1-CA 3.48Å; D171-H173 VanDerWaalsContact OD1-CB 3.23Å; D171-H173 WeakPolarHBondContact OD1-CB 3.37Å; D171-H173 PolarHBondContact OD1-N 3.12Å; H173-Q175 PolarHBondContact O-N 2.98Å; H173-G176 WeakPolarHBondContact O-CA 3.38Å; H173-G176 PolarHBondContact O-N 3.35Å; H173-G176 VanDerWaalsContact O-N 3.12Å; H173-I177 VanDerWaalsContact CE1-CD1 3.45Å; H173-I177 WeakPolarHBondContact CE1-CD1 3.45Å; H173-I177 WeakPolarHBondContact O-CG1 3.49Å; H173-I177 PolarHBondContact O-N 3.01Å |
| 174 | L | 89.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59 | -48.8 | 175.6 | -179.7 | 56.4 | 0 | 0 | 0 | 111 | V35 L36 V39 L168 D171 G176 I177 I178 | V35-L174 HydrophobicContact CG1-CD2 4.44Å; L36-L174 HydrophobicContact CD2-CB 3.69Å; L36-L174 HydrophobicContact CD2-CD1 4.05Å; L36-L174 HydrophobicContact CD2-CG 4.37Å; V39-L174 HydrophobicContact CB-CD1 4.04Å; V39-L174 HydrophobicContact CG1-CD1 4.13Å; V39-L174 HydrophobicContact CG2-CD1 3.98Å; L168-L174 HydrophobicContact CD2-CD2 4.15Å; D171-L174 HydrophobicContact CB-CB 3.86Å; D171-L174 PolarHBondContact O-N 2.86Å; D171-L174 PolarHBondContact OD1-N 2.89Å; L174-G176 PolarHBondContact O-N 3.36Å; L174-I177 PolarHBondContact O-N 3.48Å; L174-I177 VanDerWaalsContact O-N 3.12Å; L174-I178 HydrophobicContact CD1-CD1 4.2Å; L174-I178 HydrophobicContact CD1-CG1 4.29Å; L174-I178 HydrophobicContact CG-CD1 4Å; L174-I178 HydrophobicContact CG-CG1 4.5Å; L174-I178 VanDerWaalsContact O-CG1 3.27Å; L174-I178 WeakPolarHBondContact O-CG1 3.4Å; L174-I178 PolarHBondContact O-N 3.27Å |
| 175 | Q | 92.4 | Very high | 89.8 | Confident | 78 Ų | 78 | 57 Ų | 57 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.1 | -35.8 | 176.4 | -63.9 | -62.7 | -15.7 | 0 | 0 | 111.8 | E169 D171 H173 I178 K179 | E169-Q175 PolarHBondContact O-NE2 2.9Å; D171-Q175 VanDerWaalsContact O-CG 3.25Å; D171-Q175 WeakPolarHBondContact O-CG 3.38Å; D171-Q175 PolarHBondContact O-N 3.32Å; H173-Q175 PolarHBondContact O-N 2.98Å; Q175-I178 PolarHBondContact O-N 3.33Å; Q175-K179 WeakPolarHBondContact O-CB 3.45Å; Q175-K179 PolarHBondContact O-N 3.01Å |
| 176 | G | 94.5 | Very high | 90.5 | Very high | 29 Ų | 29 | 57 Ų | 57 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I172 H173 L174 K180 | I172-G176 PolarHBondContact O-N 2.94Å; H173-G176 WeakPolarHBondContact O-CA 3.38Å; H173-G176 PolarHBondContact O-N 3.35Å; H173-G176 VanDerWaalsContact O-N 3.12Å; L174-G176 PolarHBondContact O-N 3.36Å; G176-K180 WeakPolarHBondContact O-CG 3.32Å; G176-K180 PolarHBondContact O-N 3.28Å; G176-K180 VanDerWaalsContact O-N 3.13Å |
| 177 | I | 92.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.8 | -48.6 | 175.3 | -63.9 | 170.1 | 0 | 0 | 0 | 110 | L36 V39 D40 L43 H173 L174 K179 K180 I181 | L36-I177 HydrophobicContact CD2-CD1 4.25Å; V39-I177 HydrophobicContact CB-CG2 4.42Å; V39-I177 HydrophobicContact CG1-CB 4.46Å; V39-I177 HydrophobicContact CG1-CG2 3.67Å; D40-I177 HydrophobicContact CB-CD1 4.19Å; L43-I177 HydrophobicContact CB-CG2 3.8Å; L43-I177 HydrophobicContact CD2-CB 4.39Å; L43-I177 HydrophobicContact CD2-CG1 4.44Å; L43-I177 HydrophobicContact CD2-CG2 3.78Å; L43-I177 HydrophobicContact CG-CG2 4.36Å; H173-I177 VanDerWaalsContact CE1-CD1 3.45Å; H173-I177 WeakPolarHBondContact CE1-CD1 3.45Å; H173-I177 WeakPolarHBondContact O-CG1 3.49Å; H173-I177 PolarHBondContact O-N 3.01Å; L174-I177 PolarHBondContact O-N 3.48Å; L174-I177 VanDerWaalsContact O-N 3.12Å; I177-K179 VanDerWaalsContact C-N 3.27Å; I177-K179 PolarHBondContact O-N 3.45Å; I177-K180 PolarHBondContact O-N 3Å; I177-K180 VanDerWaalsContact O-N 3.08Å; I177-I181 HydrophobicContact CG2-CD1 4.14Å; I177-I181 WeakPolarHBondContact O-CG1 3.38Å; I177-I181 PolarHBondContact O-N 3.49Å |
| 178 | I | 92.7 | Very high | 91.3 | Very high | 23 Ų | 23 | 57.2 Ų | 57.2 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.2 | -46.4 | 178.5 | -64.4 | 171.6 | 0 | 0 | 0 | 110.2 | V39 I118 L174 Q175 K180 I181 M182 | V39-I178 HydrophobicContact CG1-CG1 4.22Å; I118-I178 HydrophobicContact CD1-CG1 4.18Å; I118-I178 HydrophobicContact CD1-CG2 4.32Å; I118-I178 HydrophobicContact CG2-CD1 3.88Å; I118-I178 HydrophobicContact CG2-CG1 4.23Å; L174-I178 HydrophobicContact CD1-CD1 4.2Å; L174-I178 HydrophobicContact CD1-CG1 4.29Å; L174-I178 HydrophobicContact CG-CD1 4Å; L174-I178 HydrophobicContact CG-CG1 4.5Å; L174-I178 VanDerWaalsContact O-CG1 3.27Å; L174-I178 WeakPolarHBondContact O-CG1 3.4Å; L174-I178 PolarHBondContact O-N 3.27Å; Q175-I178 PolarHBondContact O-N 3.33Å; I178-K180 PolarHBondContact O-N 3.29Å; I178-I181 WeakPolarHBondContact O-CB 3.5Å; I178-I181 PolarHBondContact O-N 3.05Å; I178-M182 HydrophobicContact CG2-CE 4.44Å; I178-M182 WeakPolarHBondContact O-CG 3.31Å; I178-M182 PolarHBondContact O-N 3.08Å |
| 179 | K | 94.3 | Very high | 91.7 | Very high | 134 Ų | 134 | 57.2 Ų | 57.2 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58 | -47.4 | 176.9 | -176.2 | 179.8 | 176.1 | -178.4 | 0 | 111.9 | Q175 I177 I181 M182 D183 | Q175-K179 WeakPolarHBondContact O-CB 3.45Å; Q175-K179 PolarHBondContact O-N 3.01Å; I177-K179 VanDerWaalsContact C-N 3.27Å; I177-K179 PolarHBondContact O-N 3.45Å; K179-I181 VanDerWaalsContact C-N 3.29Å; K179-I181 PolarHBondContact O-N 2.85Å; K179-M182 WeakPolarHBondContact O-CB 3.45Å; K179-M182 PolarHBondContact O-N 3.17Å; K179-M182 VanDerWaalsContact O-N 3.1Å; K179-D183 VanDerWaalsContact O-CG 3.25Å; K179-D183 PolarHBondContact O-N 2.9Å |
| 180 | K | 94.1 | Very high | 92.1 | Very high | 110 Ų | 110 | 56 Ų | 56 | 48% | 0.478 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.3 | -34.1 | 178.7 | -69.6 | 173 | -179.3 | 176.9 | 0 | 112.9 | L43 G176 I177 I178 S184 | L43-K180 HydrophobicContact CD1-CB 3.5Å; L43-K180 HydrophobicContact CD2-CB 4.03Å; L43-K180 HydrophobicContact CD2-CD 3.81Å; L43-K180 HydrophobicContact CG-CB 4.45Å; G176-K180 WeakPolarHBondContact O-CG 3.32Å; G176-K180 PolarHBondContact O-N 3.28Å; G176-K180 VanDerWaalsContact O-N 3.13Å; I177-K180 PolarHBondContact O-N 3Å; I177-K180 VanDerWaalsContact O-N 3.08Å; I178-K180 PolarHBondContact O-N 3.29Å; K180-S184 WeakPolarHBondContact O-CB 3.37Å; K180-S184 PolarHBondContact O-N 3.1Å; K180-S184 PolarHBondContact O-OG 3.45Å |
| 181 | I | 93.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 173.5 | -64.5 | 168.2 | 0 | 0 | 0 | 109.8 | V39 I42 L43 F46 I114 I118 I177 I178 K179 S184 L185 | V39-I181 HydrophobicContact CG1-CD1 3.66Å; I42-I181 HydrophobicContact CB-CD1 4.15Å; I42-I181 HydrophobicContact CG2-CD1 3.85Å; I42-I181 HydrophobicContact CG2-CG1 4.38Å; I42-I181 HydrophobicContact CG2-CG2 4.3Å; L43-I181 HydrophobicContact CB-CD1 4.18Å; L43-I181 HydrophobicContact CB-CG1 3.78Å; L43-I181 HydrophobicContact CD1-CG1 3.8Å; L43-I181 HydrophobicContact CG-CG1 4.39Å; F46-I181 HydrophobicContact CD1-CG2 3.96Å; F46-I181 HydrophobicContact CE1-CG2 4Å; F46-I181 HydrophobicContact CG-CG2 4.5Å; I114-I181 HydrophobicContact CG2-CG2 3.85Å; I118-I181 HydrophobicContact CD1-CD1 4.48Å; I177-I181 HydrophobicContact CG2-CD1 4.14Å; I177-I181 WeakPolarHBondContact O-CG1 3.38Å; I177-I181 PolarHBondContact O-N 3.49Å; I178-I181 WeakPolarHBondContact O-CB 3.5Å; I178-I181 PolarHBondContact O-N 3.05Å; K179-I181 VanDerWaalsContact C-N 3.29Å; K179-I181 PolarHBondContact O-N 2.85Å; I181-S184 WeakPolarHBondContact O-CB 3.47Å; I181-S184 PolarHBondContact O-N 3.34Å; I181-L185 PolarHBondContact O-N 2.89Å; I181-L185 VanDerWaalsContact O-N 3.07Å |
| 182 | M | 94.8 | Very high | 92.4 | Very high | 24 Ų | 24 | 51.6 Ų | 51.6 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 178 | -61.2 | -64.8 | 139.9 | 0 | 0 | 111.9 | K111 I114 R115 I178 K179 S184 L185 H186 | K111-M182 HydrophobicContact CB-SD 4Å; K111-M182 HydrophobicContact CG-SD 3.88Å; I114-M182 HydrophobicContact CB-CE 4.03Å; I114-M182 HydrophobicContact CG2-CE 3.61Å; R115-M182 HydrophobicContact CG-CE 3.79Å; R115-M182 HydrophobicContact CG-SD 4.42Å; I178-M182 HydrophobicContact CG2-CE 4.44Å; I178-M182 WeakPolarHBondContact O-CG 3.31Å; I178-M182 PolarHBondContact O-N 3.08Å; K179-M182 WeakPolarHBondContact O-CB 3.45Å; K179-M182 PolarHBondContact O-N 3.17Å; K179-M182 VanDerWaalsContact O-N 3.1Å; M182-S184 VanDerWaalsContact C-N 3.32Å; M182-S184 PolarHBondContact O-N 3.28Å; M182-L185 PolarHBondContact O-N 3.28Å; M182-H186 PolarHBondContact O-N 3.01Å |
| 183 | D | 93.4 | Very high | 92.5 | Very high | 77 Ų | 77 | 48 Ų | 48 | 41% | 0.412 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.2 | -39.1 | 176.4 | -65.4 | -19.2 | 0 | 0 | 0 | 111 | K179 L185 H186 L187 | K179-D183 VanDerWaalsContact O-CG 3.25Å; K179-D183 PolarHBondContact O-N 2.9Å; D183-L185 PolarHBondContact O-N 2.83Å; D183-H186 PolarHBondContact O-N 3.23Å; D183-L187 WeakPolarHBondContact O-CG 3.45Å; D183-L187 PolarHBondContact O-N 3.48Å |
| 184 | S | 91.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.7 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | K180 I181 M182 A188 | K180-S184 WeakPolarHBondContact O-CB 3.37Å; K180-S184 PolarHBondContact O-N 3.1Å; K180-S184 PolarHBondContact O-OG 3.45Å; I181-S184 WeakPolarHBondContact O-CB 3.47Å; I181-S184 PolarHBondContact O-N 3.34Å; M182-S184 VanDerWaalsContact C-N 3.32Å; M182-S184 PolarHBondContact O-N 3.28Å; S184-A188 PolarHBondContact O-N 2.96Å |
| 185 | L | 92.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.9 | -41.8 | 175.3 | -175.2 | 63.8 | 0 | 0 | 0 | 111.6 | L90 F110 K111 I181 M182 D183 A188 F189 L252 | L90-L185 HydrophobicContact CD1-CD1 3.59Å; F110-L185 HydrophobicContact CB-CD1 4.11Å; F110-L185 HydrophobicContact CB-CD2 3.6Å; F110-L185 HydrophobicContact CB-CG 4.4Å; K111-L185 HydrophobicContact CB-CD2 4.29Å; K111-L185 HydrophobicContact CG-CD2 3.55Å; I181-L185 PolarHBondContact O-N 2.89Å; I181-L185 VanDerWaalsContact O-N 3.07Å; M182-L185 PolarHBondContact O-N 3.28Å; D183-L185 PolarHBondContact O-N 2.83Å; L185-A188 PolarHBondContact O-N 3.41Å; L185-F189 HydrophobicContact CD1-CD2 3.97Å; L185-F189 HydrophobicContact CD1-CE2 3.84Å; L185-F189 HydrophobicContact CG-CD2 4.19Å; L185-F189 HydrophobicContact CG-CE2 4.38Å; L185-F189 PolarHBondContact O-N 3.33Å; L185-L252 HydrophobicContact CD1-CD2 4.36Å |
| 186 | H | 93.4 | Very high | 92.3 | Very high | 76 Ų | 76 | 44.4 Ų | 44.4 | 35% | 0.352 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.6 | -47.1 | 176.4 | -175.8 | 53.9 | 0 | 0 | 0 | 111.5 | E107 M182 D183 A188 F189 D190 | E107-H186 WeakPolarHBondContact OE1-CA 3.31Å; E107-H186 WeakPolarHBondContact OE1-CB 3.32Å; E107-H186 IonicContact OE1-CE1 2.58Å; E107-H186 IonicContact OE1-CG 2.8Å; E107-H186 IonicContact OE1-ND1 3.29Å; E107-H186 PolarHBondContact OE1-ND1 3.44Å; E107-H186 IonicContact OE2-ND1 3.86Å; M182-H186 PolarHBondContact O-N 3.01Å; D183-H186 PolarHBondContact O-N 3.23Å; H186-A188 VanDerWaalsContact C-N 3.28Å; H186-A188 PolarHBondContact O-N 3Å; H186-F189 PolarHBondContact O-N 3.15Å; H186-F189 VanDerWaalsContact O-N 3.14Å; H186-D190 IonicContact CD2-OD2 2.84Å; H186-D190 IonicContact CE1-OD1 3.76Å; H186-D190 PolarHBondContact CE1-OD1 3.29Å; H186-D190 IonicContact CE1-OD2 2.99Å; H186-D190 IonicContact NE2-OD1 3.92Å; H186-D190 IonicContact NE2-OD2 3.87Å; H186-D190 PolarHBondContact NE2-OD2 2.8Å; H186-D190 PolarHBondContact O-N 2.9Å |
| 187 | L | 91.6 | Very high | 92 | Very high | 100 Ų | 100 | 50.5 Ų | 50.5 | 52% | 0.524 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.7 | -38.4 | 176.1 | -71.6 | 171.1 | 0 | 0 | 0 | 112.9 | V50 D183 L191 | V50-L187 HydrophobicContact CG1-CD1 4.47Å; D183-L187 WeakPolarHBondContact O-CG 3.45Å; D183-L187 PolarHBondContact O-N 3.48Å; L187-L191 PolarHBondContact O-N 3.28Å |
| 188 | A | 91.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S184 L185 H186 L191 A192 L252 L253 | S184-A188 PolarHBondContact O-N 2.96Å; L185-A188 PolarHBondContact O-N 3.41Å; H186-A188 VanDerWaalsContact C-N 3.28Å; H186-A188 PolarHBondContact O-N 3Å; A188-L191 PolarHBondContact O-N 3.5Å; A188-A192 PolarHBondContact O-N 3.36Å; A188-L252 HydrophobicContact CB-CB 4Å; A188-L252 HydrophobicContact CB-CD2 3.98Å; A188-L252 HydrophobicContact CB-CG 4.43Å; A188-L253 HydrophobicContact CB-CD1 3.65Å; A188-L253 HydrophobicContact CB-CG 3.97Å; A188-L253 WeakPolarHBondContact O-CD1 3.5Å |
| 189 | F | 93.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.5 | -35.6 | 177.4 | -90.7 | -84.7 | 0 | 0 | 0 | 112.9 | T92 F103 E107 F110 L185 H186 L191 A192 H193 L253 | T92-F189 HydrophobicContact CG2-CE1 4.42Å; T92-F189 HydrophobicContact CG2-CZ 4.44Å; F103-F189 HydrophobicContact CB-CE1 4.04Å; F103-F189 HydrophobicContact CG-CE1 4.23Å; E107-F189 HydrophobicContact CB-CB 4.13Å; E107-F189 HydrophobicContact CB-CD1 3.83Å; E107-F189 HydrophobicContact CB-CD2 3.81Å; E107-F189 HydrophobicContact CB-CE1 4.2Å; E107-F189 HydrophobicContact CB-CE2 4.19Å; E107-F189 HydrophobicContact CB-CG 3.63Å; E107-F189 HydrophobicContact CB-CZ 4.37Å; E107-F189 HydrophobicContact CG-CB 3.95Å; E107-F189 HydrophobicContact CG-CD1 4.48Å; E107-F189 HydrophobicContact CG-CD2 3.72Å; E107-F189 HydrophobicContact CG-CE2 4.39Å; E107-F189 HydrophobicContact CG-CG 3.78Å; F110-F189 AromaticContact CD2-CE2 3.66Å; F110-F189 HydrophobicContact CD2-CE2 3.66Å; F110-F189 AromaticContact CD2-CZ 3.5Å; F110-F189 HydrophobicContact CD2-CZ 3.5Å; F110-F189 HydrophobicContact CE2-CE2 4.28Å; F110-F189 AromaticContact CE2-CZ 3.83Å; F110-F189 HydrophobicContact CE2-CZ 3.83Å; F110-F189 HydrophobicContact CG-CE2 4.37Å; L185-F189 HydrophobicContact CD1-CD2 3.97Å; L185-F189 HydrophobicContact CD1-CE2 3.84Å; L185-F189 HydrophobicContact CG-CD2 4.19Å; L185-F189 HydrophobicContact CG-CE2 4.38Å; L185-F189 PolarHBondContact O-N 3.33Å; H186-F189 PolarHBondContact O-N 3.15Å; H186-F189 VanDerWaalsContact O-N 3.14Å; F189-L191 VanDerWaalsContact C-N 3.29Å; F189-L191 PolarHBondContact O-N 2.93Å; F189-A192 CarbonylContact O-C 3.54Å; F189-A192 WeakPolarHBondContact O-CB 3.46Å; F189-A192 PolarHBondContact O-N 3.47Å; F189-A192 VanDerWaalsContact O-N 3.13Å; F189-H193 WeakPolarHBondContact O-CB 3.26Å; F189-H193 PolarHBondContact O-CD2 3.39Å; F189-H193 PolarHBondContact O-N 3.42Å; F189-L253 HydrophobicContact CD1-CD1 4.39Å; F189-L253 HydrophobicContact CD2-CD1 3.76Å; F189-L253 HydrophobicContact CE1-CD1 4.46Å; F189-L253 HydrophobicContact CE2-CD1 3.85Å; F189-L253 HydrophobicContact CE2-CD2 3.87Å; F189-L253 HydrophobicContact CE2-CG 4.48Å; F189-L253 HydrophobicContact CG-CD1 4.04Å; F189-L253 HydrophobicContact CZ-CD1 4.2Å; F189-L253 HydrophobicContact CZ-CD2 4.09Å |
| 190 | D | 92.1 | Very high | 91.3 | Very high | 66 Ų | 66 | 51.4 Ų | 51.4 | 35% | 0.353 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 171.4 | -79.9 | -18.9 | 0 | 0 | 0 | 111.3 | H186 A192 H193 V194 | H186-D190 IonicContact CD2-OD2 2.84Å; H186-D190 IonicContact CE1-OD1 3.76Å; H186-D190 PolarHBondContact CE1-OD1 3.29Å; H186-D190 IonicContact CE1-OD2 2.99Å; H186-D190 IonicContact NE2-OD1 3.92Å; H186-D190 IonicContact NE2-OD2 3.87Å; H186-D190 PolarHBondContact NE2-OD2 2.8Å; H186-D190 PolarHBondContact O-N 2.9Å; D190-A192 VanDerWaalsContact C-N 3.35Å; D190-H193 PolarHBondContact O-N 3.35Å; D190-V194 WeakPolarHBondContact O-CG2 3.31Å; D190-V194 PolarHBondContact O-N 2.69Å |
| 191 | L | 89.6 | Confident | 91 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 39% | 0.387 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 175.5 | -177.1 | 62.9 | 0 | 0 | 0 | 111.9 | L187 A188 F189 V194 S195 L250 | L187-L191 PolarHBondContact O-N 3.28Å; A188-L191 PolarHBondContact O-N 3.5Å; F189-L191 VanDerWaalsContact C-N 3.29Å; F189-L191 PolarHBondContact O-N 2.93Å; L191-V194 PolarHBondContact O-N 2.95Å; L191-S195 WeakPolarHBondContact O-CB 3.35Å; L191-S195 PolarHBondContact O-N 3.42Å; L191-S195 PolarHBondContact O-OG 3.4Å; L191-L250 HydrophobicContact CD2-CB 4.14Å; L191-L250 HydrophobicContact CD2-CD2 4.2Å; L191-L250 HydrophobicContact CG-CD1 4.49Å; L191-L250 HydrophobicContact CG-CD2 4.23Å |
| 192 | A | 91.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F103 A188 F189 D190 S195 S196 L250 L253 V255 | F103-A192 HydrophobicContact CE1-CB 3.94Å; F103-A192 HydrophobicContact CE2-CB 4.32Å; F103-A192 HydrophobicContact CZ-CB 3.67Å; A188-A192 PolarHBondContact O-N 3.36Å; F189-A192 CarbonylContact O-C 3.54Å; F189-A192 WeakPolarHBondContact O-CB 3.46Å; F189-A192 PolarHBondContact O-N 3.47Å; F189-A192 VanDerWaalsContact O-N 3.13Å; D190-A192 VanDerWaalsContact C-N 3.35Å; A192-S195 PolarHBondContact O-N 3.25Å; A192-S196 PolarHBondContact O-N 3.24Å; A192-L250 VanDerWaalsContact CA-CD1 3.46Å; A192-L250 HydrophobicContact CB-CD1 3.78Å; A192-L253 HydrophobicContact CB-CD1 4.32Å; A192-V255 HydrophobicContact CB-CG2 4.23Å |
| 193 | H | 91.8 | Very high | 90.4 | Very high | 76 Ų | 76 | 49.7 Ų | 49.7 | 35% | 0.352 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.1 | -79.7 | -63.1 | 0 | 0 | 0 | 112.6 | F103 F189 D190 S195 S196 R197 | F103-H193 AromaticContact CD2-CE1 3.59Å; F103-H193 AromaticContact CD2-ND1 3.99Å; F103-H193 AromaticContact CE2-CE1 3.6Å; F103-H193 AromaticContact CE2-ND1 3.5Å; F103-H193 WeakPolarHBondContact CE2-ND1 3.38Å; F189-H193 WeakPolarHBondContact O-CB 3.26Å; F189-H193 PolarHBondContact O-CD2 3.39Å; F189-H193 PolarHBondContact O-N 3.42Å; D190-H193 PolarHBondContact O-N 3.35Å; H193-S195 VanDerWaalsContact C-N 3.3Å; H193-S195 PolarHBondContact O-N 3.22Å; H193-S196 WeakPolarHBondContact CA-OG 3.47Å; H193-S196 PolarHBondContact O-N 3.17Å; H193-S196 PolarHBondContact O-OG 2.99Å; H193-R197 WeakPolarHBondContact O-CG 3.47Å; H193-R197 PolarHBondContact O-N 3Å |
| 194 | V | 90.9 | Very high | 90.1 | Very high | 90 Ų | 90 | 49.6 Ų | 49.6 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 174.5 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | D190 L191 S196 R197 | D190-V194 WeakPolarHBondContact O-CG2 3.31Å; D190-V194 PolarHBondContact O-N 2.69Å; L191-V194 PolarHBondContact O-N 2.95Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 2.91Å; V194-R197 WeakPolarHBondContact O-CB 3.37Å; V194-R197 PolarHBondContact O-N 2.95Å |
| 195 | S | 87.1 | Confident | 89.8 | Confident | 19 Ų | 19 | 50 Ų | 50 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.3 | -35.7 | 178.9 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | L191 A192 H193 R197 A198 | L191-S195 WeakPolarHBondContact O-CB 3.35Å; L191-S195 PolarHBondContact O-N 3.42Å; L191-S195 PolarHBondContact O-OG 3.4Å; A192-S195 PolarHBondContact O-N 3.25Å; H193-S195 VanDerWaalsContact C-N 3.3Å; H193-S195 PolarHBondContact O-N 3.22Å; S195-R197 PolarHBondContact O-N 2.88Å; S195-A198 WeakPolarHBondContact O-CB 3.44Å; S195-A198 PolarHBondContact O-N 3.08Å; S195-A198 VanDerWaalsContact O-N 3.12Å |
| 196 | S | 90.7 | Very high | 89.4 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.8 | -25.6 | 178 | 69.9 | 0 | 0 | 0 | 0 | 112.9 | L101 A192 H193 V194 A198 F199 | L101-S196 VanDerWaalsContact CD1-O 3.28Å; L101-S196 WeakPolarHBondContact CD1-O 3.36Å; A192-S196 PolarHBondContact O-N 3.24Å; H193-S196 WeakPolarHBondContact CA-OG 3.47Å; H193-S196 PolarHBondContact O-N 3.17Å; H193-S196 PolarHBondContact O-OG 2.99Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 2.91Å; S196-A198 PolarHBondContact O-N 3.35Å; S196-F199 WeakPolarHBondContact O-CD2 3.42Å; S196-F199 PolarHBondContact O-N 2.9Å |
| 197 | R | 89.1 | Confident | 89 | Confident | 158 Ų | 158 | 53.1 Ų | 53.1 | 60% | 0.596 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -60.6 | -24.7 | 173.9 | -64.9 | -176.3 | -174.9 | 174.9 | 2.1 | 112.6 | H193 V194 S195 F199 E200 | H193-R197 WeakPolarHBondContact O-CG 3.47Å; H193-R197 PolarHBondContact O-N 3Å; V194-R197 WeakPolarHBondContact O-CB 3.37Å; V194-R197 PolarHBondContact O-N 2.95Å; S195-R197 PolarHBondContact O-N 2.88Å; R197-F199 PolarHBondContact O-N 3.34Å; R197-E200 WeakPolarHBondContact O-CB 3.33Å; R197-E200 PolarHBondContact O-N 3.49Å |
| 198 | A | 88 | Confident | 88.6 | Confident | 63 Ų | 63 | 55.1 Ų | 55.1 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -57.1 | -22.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S195 S196 H201 | S195-A198 WeakPolarHBondContact O-CB 3.44Å; S195-A198 PolarHBondContact O-N 3.08Å; S195-A198 VanDerWaalsContact O-N 3.12Å; S196-A198 PolarHBondContact O-N 3.35Å; A198-H201 PolarHBondContact O-CE1 2.85Å; A198-H201 PolarHBondContact O-ND1 2.94Å |
| 199 | F | 89.9 | Confident | 88.1 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 9% | 0.088 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -93.3 | -5.3 | 178.6 | -52.9 | -67.8 | 0 | 0 | 0 | 114.5 | L94 L101 S196 R197 H201 F202 I244 L260 | L94-F199 HydrophobicContact CD2-CD2 3.82Å; L94-F199 HydrophobicContact CD2-CE2 3.72Å; L101-F199 HydrophobicContact CD1-CB 4.02Å; S196-F199 WeakPolarHBondContact O-CD2 3.42Å; S196-F199 PolarHBondContact O-N 2.9Å; R197-F199 PolarHBondContact O-N 3.34Å; F199-H201 PolarHBondContact O-N 3.44Å; F199-F202 HydrophobicContact CB-CD2 4.37Å; F199-F202 HydrophobicContact CD1-CD2 4.27Å; F199-F202 HydrophobicContact CD1-CE2 4.19Å; F199-F202 WeakPolarHBondContact O-CB 3.39Å; F199-F202 PolarHBondContact O-N 2.76Å; F199-I244 HydrophobicContact CD1-CD1 4.11Å; F199-I244 HydrophobicContact CE1-CD1 3.92Å; F199-I244 HydrophobicContact CE1-CG1 4.1Å; F199-I244 HydrophobicContact CE1-CG2 4Å; F199-I244 HydrophobicContact CZ-CG2 4.36Å; F199-L260 HydrophobicContact CB-CD2 4.48Å; F199-L260 HydrophobicContact CD1-CD2 4.25Å; F199-L260 HydrophobicContact CD2-CD2 3.83Å; F199-L260 HydrophobicContact CE1-CD2 4.49Å; F199-L260 HydrophobicContact CE2-CD2 4.09Å; F199-L260 HydrophobicContact CG-CD2 3.93Å; F199-L260 HydrophobicContact CZ-CD2 4.42Å |
| 200 | E | 87.5 | Confident | 87.3 | Confident | 97 Ų | 97 | 62.1 Ų | 62.1 | 45% | 0.453 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.8 | -31.8 | -179.3 | -75.2 | 177 | -179 | 0 | 0 | 112.4 | R197 F202 L203 D204 | R197-E200 WeakPolarHBondContact O-CB 3.33Å; R197-E200 PolarHBondContact O-N 3.49Å; E200-F202 PolarHBondContact O-N 3.22Å; E200-L203 WeakPolarHBondContact O-CA 3.4Å; E200-L203 WeakPolarHBondContact O-CB 3.35Å; E200-L203 PolarHBondContact O-N 2.92Å; E200-D204 PolarHBondContact O-N 3.5Å |
| 201 | H | 88 | Confident | 86.4 | Confident | 69 Ų | 69 | 61.4 Ų | 61.4 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.1 | -26.4 | 178.3 | 74.2 | -90 | 0 | 0 | 0 | 113.1 | A198 F199 F205 E240 | A198-H201 PolarHBondContact O-CE1 2.85Å; A198-H201 PolarHBondContact O-ND1 2.94Å; F199-H201 PolarHBondContact O-N 3.44Å; H201-F205 WeakPolarHBondContact O-CB 3.31Å; H201-F205 PolarHBondContact O-N 3.27Å; H201-E240 IonicContact CD2-OE2 3.85Å; H201-E240 IonicContact NE2-OE2 3.79Å; H201-E240 PolarHBondContact NE2-OE2 3.31Å |
| 202 | F | 88.2 | Confident | 85.5 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.6 | -36.5 | 171.8 | -71.4 | -74.1 | 0 | 0 | 0 | 111.6 | F199 E200 F205 A206 K237 E240 A241 I244 L264 | F199-F202 HydrophobicContact CB-CD2 4.37Å; F199-F202 HydrophobicContact CD1-CD2 4.27Å; F199-F202 HydrophobicContact CD1-CE2 4.19Å; F199-F202 WeakPolarHBondContact O-CB 3.39Å; F199-F202 PolarHBondContact O-N 2.76Å; E200-F202 PolarHBondContact O-N 3.22Å; F202-F205 WeakPolarHBondContact O-CB 3.4Å; F202-F205 PolarHBondContact O-N 3.33Å; F202-A206 PolarHBondContact O-N 3.48Å; F202-K237 HydrophobicContact CE1-CD 4.5Å; F202-E240 HydrophobicContact CE1-CB 4.3Å; F202-E240 HydrophobicContact CZ-CB 3.93Å; F202-A241 HydrophobicContact CE1-CB 3.82Å; F202-A241 HydrophobicContact CZ-CB 4.13Å; F202-I244 HydrophobicContact CE2-CD1 3.87Å; F202-I244 HydrophobicContact CZ-CD1 4.09Å; F202-L264 HydrophobicContact CB-CD1 4.25Å; F202-L264 HydrophobicContact CB-CD2 3.81Å; F202-L264 HydrophobicContact CD2-CD1 3.76Å; F202-L264 HydrophobicContact CE2-CD1 4.21Å; F202-L264 HydrophobicContact CG-CD1 3.95Å; F202-L264 HydrophobicContact CG-CD2 4.24Å |
| 203 | L | 85.9 | Confident | 84.4 | Confident | 20 Ų | 20 | 64.7 Ų | 64.7 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.6 | -41.3 | 176.8 | -54.1 | -178.4 | 0 | 0 | 0 | 111.1 | L96 L101 E200 F205 A206 K207 | L96-L203 HydrophobicContact CD1-CD1 4.3Å; L96-L203 HydrophobicContact CD1-CD2 3.47Å; L96-L203 VanDerWaalsContact CD1-CD2 3.47Å; L96-L203 HydrophobicContact CD2-CD2 3.71Å; L96-L203 HydrophobicContact CG-CD2 4.24Å; L101-L203 HydrophobicContact CG-CD1 4.36Å; E200-L203 WeakPolarHBondContact O-CA 3.4Å; E200-L203 WeakPolarHBondContact O-CB 3.35Å; E200-L203 PolarHBondContact O-N 2.92Å; L203-F205 VanDerWaalsContact C-N 3.32Å; L203-A206 PolarHBondContact O-N 3.1Å; L203-K207 WeakPolarHBondContact O-CG 3.44Å; L203-K207 PolarHBondContact O-N 3.08Å |
| 204 | D | 87.2 | Confident | 82.9 | Confident | 75 Ų | 75 | 66.6 Ų | 66.6 | 40% | 0.401 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 174 | -75 | -13.8 | 0 | 0 | 0 | 111.7 | E200 K207 K208 | E200-D204 PolarHBondContact O-N 3.5Å; D204-K207 PolarHBondContact O-N 2.99Å; D204-K208 WeakPolarHBondContact O-CB 3.42Å; D204-K208 VanDerWaalsContact O-CG 3.26Å; D204-K208 WeakPolarHBondContact O-CG 3.18Å; D204-K208 PolarHBondContact O-N 2.97Å |
| 205 | F | 86.7 | Confident | 81.5 | Confident | 17 Ų | 17 | 65.5 Ų | 65.5 | 8% | 0.075 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.1 | -49 | 172.6 | 173.7 | -100.3 | 0 | 0 | 0 | 111.5 | H201 F202 L203 K207 K208 N209 L233 Y234 K237 T268 | H201-F205 WeakPolarHBondContact O-CB 3.31Å; H201-F205 PolarHBondContact O-N 3.27Å; F202-F205 WeakPolarHBondContact O-CB 3.4Å; F202-F205 PolarHBondContact O-N 3.33Å; L203-F205 VanDerWaalsContact C-N 3.32Å; F205-K207 VanDerWaalsContact C-N 3.31Å; F205-K207 PolarHBondContact O-N 3.19Å; F205-K208 PolarHBondContact O-N 3.37Å; F205-N209 WeakPolarHBondContact O-CB 3.35Å; F205-N209 PolarHBondContact O-N 2.81Å; F205-L233 HydrophobicContact CD2-CD2 4.39Å; F205-L233 HydrophobicContact CD2-CG 4.48Å; F205-L233 HydrophobicContact CE2-CD2 4.01Å; F205-L233 HydrophobicContact CE2-CG 4.02Å; F205-Y234 AromaticContact CE2-CD1 3.54Å; F205-Y234 HydrophobicContact CE2-CD1 3.54Å; F205-Y234 AromaticContact CE2-CE1 3.47Å; F205-Y234 HydrophobicContact CE2-CE1 3.47Å; F205-Y234 VanDerWaalsContact CE2-CE1 3.47Å; F205-Y234 HydrophobicContact CE2-CG 4.47Å; F205-Y234 AromaticContact CZ-CD1 3.45Å; F205-Y234 HydrophobicContact CZ-CD1 3.45Å; F205-Y234 VanDerWaalsContact CZ-CD1 3.45Å; F205-Y234 HydrophobicContact CZ-CD2 4.46Å; F205-Y234 AromaticContact CZ-CE1 3.52Å; F205-Y234 HydrophobicContact CZ-CE1 3.52Å; F205-Y234 HydrophobicContact CZ-CE2 4.49Å; F205-Y234 AromaticContact CZ-CG 3.98Å; F205-Y234 HydrophobicContact CZ-CG 3.98Å; F205-K237 HydrophobicContact CD2-CD 4.48Å; F205-K237 HydrophobicContact CD2-CG 3.99Å; F205-K237 HydrophobicContact CE2-CG 4.12Å; F205-K237 HydrophobicContact CG-CD 4.4Å; F205-K237 HydrophobicContact CG-CG 4.23Å; F205-K237 HydrophobicContact CZ-CB 4.48Å; F205-K237 HydrophobicContact CZ-CG 4.48Å; F205-T268 HydrophobicContact CD1-CG2 4.49Å; F205-T268 HydrophobicContact CE1-CG2 4.25Å |
| 206 | A | 84.3 | Confident | 80.4 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 22% | 0.223 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F202 L203 K210 | F202-A206 PolarHBondContact O-N 3.48Å; L203-A206 PolarHBondContact O-N 3.1Å; A206-K210 PolarHBondContact O-N 3.34Å |
| 207 | K | 84.3 | Confident | 78.7 | Confident | 118 Ų | 118 | 72.7 Ų | 72.7 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 174.6 | -71.2 | 170.7 | -172 | 167.1 | 0 | 111.9 | L203 D204 F205 K210 A211 | L203-K207 WeakPolarHBondContact O-CG 3.44Å; L203-K207 PolarHBondContact O-N 3.08Å; D204-K207 PolarHBondContact O-N 2.99Å; F205-K207 VanDerWaalsContact C-N 3.31Å; F205-K207 PolarHBondContact O-N 3.19Å; K207-K210 PolarHBondContact O-N 2.96Å; K207-A211 PolarHBondContact O-N 3.22Å |
| 208 | K | 83.4 | Confident | 77.3 | Confident | 141 Ų | 141 | 73 Ų | 73 | 61% | 0.613 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.1 | -39.1 | 178.5 | -73.6 | 171.2 | -177.2 | 172.8 | 0 | 111.7 | D204 F205 A211 L212 | D204-K208 WeakPolarHBondContact O-CB 3.42Å; D204-K208 VanDerWaalsContact O-CG 3.26Å; D204-K208 WeakPolarHBondContact O-CG 3.18Å; D204-K208 PolarHBondContact O-N 2.97Å; F205-K208 PolarHBondContact O-N 3.37Å; K208-A211 PolarHBondContact O-N 3.2Å; K208-L212 WeakPolarHBondContact O-CG 3.41Å; K208-L212 PolarHBondContact O-N 3.25Å |
| 209 | N | 81.2 | Confident | 76 | Confident | 15 Ų | 15 | 75.7 Ų | 75.7 | 8% | 0.08 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.5 | -47 | 177.9 | -176.7 | 32.9 | 0 | 0 | 0 | 111.4 | F205 A211 L212 E213 Y234 S271 | F205-N209 WeakPolarHBondContact O-CB 3.35Å; F205-N209 PolarHBondContact O-N 2.81Å; N209-A211 PolarHBondContact O-N 2.57Å; N209-L212 WeakPolarHBondContact O-CB 3.41Å; N209-L212 PolarHBondContact O-N 3.14Å; N209-L212 VanDerWaalsContact O-N 3.08Å; N209-E213 PolarHBondContact O-N 3.32Å; N209-Y234 PolarHBondContact OD1-OH 3.05Å; N209-S271 VanDerWaalsContact ND2-CB 3.31Å; N209-S271 WeakPolarHBondContact ND2-CB 3.38Å; N209-S271 PolarHBondContact ND2-OG 3.38Å |
| 210 | K | 76.9 | Confident | 74.5 | Confident | 138 Ų | 138 | 84.6 Ų | 84.6 | 60% | 0.6 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -57.7 | -37.1 | 174.9 | -73.9 | -176.3 | 177 | -177.1 | 0 | 113.1 | A206 K207 L214 | A206-K210 PolarHBondContact O-N 3.34Å; K207-K210 PolarHBondContact O-N 2.96Å; K210-L214 WeakPolarHBondContact O-CG 3.45Å; K210-L214 PolarHBondContact O-N 3.34Å |
| 211 | A | 71.9 | Confident | 73.5 | Confident | 51 Ų | 51 | 84.9 Ų | 84.9 | 42% | 0.421 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71 | -39.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K207 K208 N209 E213 L214 V215 | K207-A211 PolarHBondContact O-N 3.22Å; K208-A211 PolarHBondContact O-N 3.2Å; N209-A211 PolarHBondContact O-N 2.57Å; A211-E213 VanDerWaalsContact C-N 3.34Å; A211-L214 PolarHBondContact O-N 3.48Å; A211-V215 WeakPolarHBondContact O-CG2 3.42Å; A211-V215 PolarHBondContact O-N 2.96Å; A211-V215 VanDerWaalsContact O-N 3.1Å |
| 212 | L | 71.9 | Confident | 72.6 | Confident | 62 Ų | 62 | 82.7 Ų | 82.7 | 33% | 0.325 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 175.5 | -79 | 163.2 | 0 | 0 | 0 | 111.9 | K208 N209 L214 V215 A216 F226 | K208-L212 WeakPolarHBondContact O-CG 3.41Å; K208-L212 PolarHBondContact O-N 3.25Å; N209-L212 WeakPolarHBondContact O-CB 3.41Å; N209-L212 PolarHBondContact O-N 3.14Å; N209-L212 VanDerWaalsContact O-N 3.08Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 2.85Å; L212-V215 PolarHBondContact O-N 3.19Å; L212-A216 WeakPolarHBondContact O-CB 3.36Å; L212-A216 PolarHBondContact O-N 2.96Å; L212-F226 HydrophobicContact CD2-CE2 4.09Å; L212-F226 HydrophobicContact CD2-CZ 4.47Å |
| 213 | E | 67 | Low | 72.2 | Confident | 84 Ų | 84 | 87 Ų | 87 | 39% | 0.393 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 175.6 | -165.9 | -177.8 | 179.9 | 0 | 0 | 111.2 | N209 A211 V215 A216 M217 | N209-E213 PolarHBondContact O-N 3.32Å; A211-E213 VanDerWaalsContact C-N 3.34Å; E213-V215 PolarHBondContact O-N 3Å; E213-A216 PolarHBondContact O-N 3.25Å; E213-M217 WeakPolarHBondContact O-CG 3.43Å; E213-M217 PolarHBondContact O-N 3.48Å |
| 214 | L | 60.7 | Low | 72 | Confident | 115 Ų | 115 | 88.4 Ų | 88.4 | 60% | 0.602 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60.6 | -43.3 | 174.9 | -69.5 | 168.7 | 0 | 0 | 0 | 112.3 | K210 A211 L212 M217 E218 | K210-L214 WeakPolarHBondContact O-CG 3.45Å; K210-L214 PolarHBondContact O-N 3.34Å; A211-L214 PolarHBondContact O-N 3.48Å; L212-L214 VanDerWaalsContact C-N 3.33Å; L212-L214 PolarHBondContact O-N 2.85Å; L214-M217 PolarHBondContact O-N 3.44Å; L214-E218 PolarHBondContact O-N 3.43Å |
| 215 | V | 62.5 | Low | 71.8 | Confident | 67 Ų | 67 | 87.3 Ų | 87.3 | 41% | 0.406 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.7 | -37.7 | 177.6 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | A211 L212 E213 M217 E218 Q219 | A211-V215 WeakPolarHBondContact O-CG2 3.42Å; A211-V215 PolarHBondContact O-N 2.96Å; A211-V215 VanDerWaalsContact O-N 3.1Å; L212-V215 PolarHBondContact O-N 3.19Å; E213-V215 PolarHBondContact O-N 3Å; V215-M217 VanDerWaalsContact C-N 3.26Å; V215-M217 PolarHBondContact O-N 3.32Å; V215-E218 PolarHBondContact O-N 2.81Å; V215-E218 VanDerWaalsContact O-N 3.08Å; V215-Q219 PolarHBondContact O-N 3.26Å |
| 216 | A | 62.4 | Low | 71.7 | Confident | 25 Ų | 25 | 89.6 Ų | 89.6 | 21% | 0.207 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -66.8 | -27.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L212 E213 E218 Q219 | L212-A216 WeakPolarHBondContact O-CB 3.36Å; L212-A216 PolarHBondContact O-N 2.96Å; E213-A216 PolarHBondContact O-N 3.25Å; A216-E218 VanDerWaalsContact C-N 3.35Å; A216-Q219 VanDerWaalsContact O-O 3.13Å |
| 217 | M | 56.2 | Low | 71.8 | Confident | 156 Ų | 156 | 88.5 Ų | 88.5 | 77% | 0.768 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -73.6 | -25.4 | 170.4 | -66.8 | -162.7 | 83.1 | 0 | 0 | 113.1 | E213 L214 V215 | E213-M217 WeakPolarHBondContact O-CG 3.43Å; E213-M217 PolarHBondContact O-N 3.48Å; L214-M217 PolarHBondContact O-N 3.44Å; V215-M217 VanDerWaalsContact C-N 3.26Å; V215-M217 PolarHBondContact O-N 3.32Å |
| 218 | E | 58.5 | Low | 71.9 | Confident | 164 Ų | 164 | 84.3 Ų | 84.3 | 77% | 0.766 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -84.7 | -32.9 | 177.9 | -71.1 | -179.2 | 170.6 | 0 | 0 | 113 | L214 V215 A216 | L214-E218 PolarHBondContact O-N 3.43Å; V215-E218 PolarHBondContact O-N 2.81Å; V215-E218 VanDerWaalsContact O-N 3.08Å; A216-E218 VanDerWaalsContact C-N 3.35Å |
| 219 | Q | 60.5 | Low | 72.1 | Confident | 119 Ų | 119 | 84.1 Ų | 84.1 | 56% | 0.556 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -84.9 | 128.5 | 176.2 | -69.3 | -169.1 | -0.4 | 0 | 0 | 111.5 | V215 A216 E221 | V215-Q219 PolarHBondContact O-N 3.26Å; A216-Q219 VanDerWaalsContact O-O 3.13Å; Q219-E221 PolarHBondContact O-N 2.9Å; Q219-E221 VanDerWaalsContact O-N 3.14Å |
| 220 | K | 59.5 | Low | 72.3 | Confident | 207 Ų | 207 | 84 Ų | 84 | 90% | 0.9 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -69.3 | -12.9 | -169.9 | -148.2 | 175.8 | -178.3 | -175.8 | 0 | 114.7 | ||
| 221 | E | 65.8 | Low | 72.8 | Confident | 103 Ų | 103 | 77.4 Ų | 77.4 | 48% | 0.481 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -175.2 | 120.5 | 166.6 | -105.7 | 153.8 | -147.2 | 0 | 0 | 109.8 | Q219 L282 K285 | Q219-E221 PolarHBondContact O-N 2.9Å; Q219-E221 VanDerWaalsContact O-N 3.14Å; E221-L282 HydrophobicContact CG-CD1 3.86Å; E221-K285 IonicContact OE1-NZ 3.74Å; E221-K285 PolarHBondContact OE1-NZ 2.83Å; E221-K285 IonicContact OE2-NZ 2.74Å |
| 222 | P | 70.3 | Confident | 73.7 | Confident | 24 Ų | 24 | 81.1 Ų | 81.1 | 16% | 0.156 | 41% | 0.406 | C | S | . | . | trans | -68.8 | 146.9 | 176.7 | -12 | 24.9 | 0 | 0 | 0 | 111.8 | F226 F227 | P222-F226 HydrophobicContact CB-CB 4.34Å; P222-F226 HydrophobicContact CB-CD1 3.53Å; P222-F226 HydrophobicContact CB-CE1 4.06Å; P222-F226 HydrophobicContact CB-CG 4.07Å; P222-F226 HydrophobicContact CG-CD1 4.33Å; P222-F226 HydrophobicContact CG-CE1 4.41Å; P222-F227 HydrophobicContact CB-CD2 4.39Å; P222-F227 HydrophobicContact CB-CE2 3.75Å; P222-F227 HydrophobicContact CB-CZ 4.26Å; P222-F227 HydrophobicContact CG-CE2 4.02Å; P222-F227 HydrophobicContact CG-CZ 4.07Å | ||
| 223 | D | 79.1 | Confident | 74.5 | Confident | 100 Ų | 100 | 82.1 Ų | 82.1 | 54% | 0.535 | 41% | 0.412 | S | S | . | . | trans | -74.5 | 165.8 | 178.6 | 80.2 | -11.9 | 0 | 0 | 0 | 112.9 | S225 F226 F227 | D223-S225 VanDerWaalsContact C-N 3.27Å; D223-S225 PolarHBondContact O-N 3.47Å; D223-S225 PolarHBondContact OD1-N 2.92Å; D223-F226 WeakPolarHBondContact O-CB 3.28Å; D223-F226 PolarHBondContact O-N 3.28Å; D223-F226 WeakPolarHBondContact OD1-CA 3.45Å; D223-F226 WeakPolarHBondContact OD1-CB 3.4Å; D223-F226 PolarHBondContact OD1-N 3.43Å; D223-F227 WeakPolarHBondContact O-CD2 3.31Å; D223-F227 PolarHBondContact O-N 2.95Å | ||
| 224 | L | 80.9 | Confident | 75.6 | Confident | 48 Ų | 48 | 78.6 Ų | 78.6 | 25% | 0.251 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.3 | -32.1 | -179.4 | -168.8 | 62.3 | 0 | 0 | 0 | 112.7 | F226 F227 A228 K337 V338 L341 | L224-F226 VanDerWaalsContact C-N 3.27Å; L224-F226 PolarHBondContact O-N 3.31Å; L224-F227 PolarHBondContact O-N 3.03Å; L224-A228 PolarHBondContact O-N 3.45Å; L224-K337 HydrophobicContact CD2-CB 3.44Å; L224-K337 VanDerWaalsContact CD2-CB 3.44Å; L224-K337 HydrophobicContact CD2-CD 4.27Å; L224-K337 HydrophobicContact CD2-CG 4.49Å; L224-V338 HydrophobicContact CD1-CB 4.32Å; L224-V338 HydrophobicContact CD1-CG2 3.53Å; L224-V338 HydrophobicContact CD2-CG2 4.38Å; L224-L341 HydrophobicContact CD1-CD1 3.45Å; L224-L341 VanDerWaalsContact CD1-CD1 3.45Å; L224-L341 HydrophobicContact CG-CD1 4.03Å |
| 225 | S | 84.1 | Confident | 77 | Confident | 53 Ų | 53 | 74.7 Ų | 74.7 | 37% | 0.371 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.6 | -35 | 177.4 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | D223 K229 | D223-S225 VanDerWaalsContact C-N 3.27Å; D223-S225 PolarHBondContact O-N 3.47Å; D223-S225 PolarHBondContact OD1-N 2.92Å; S225-K229 WeakPolarHBondContact O-CG 3.26Å; S225-K229 PolarHBondContact O-N 3.47Å |
| 226 | F | 85.2 | Confident | 78.4 | Confident | 64 Ų | 64 | 72.7 Ų | 72.7 | 28% | 0.281 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.2 | -51.5 | 174.5 | 173.2 | -93.3 | 0 | 0 | 0 | 110.1 | L212 P222 D223 L224 A228 K229 T230 | L212-F226 HydrophobicContact CD2-CE2 4.09Å; L212-F226 HydrophobicContact CD2-CZ 4.47Å; P222-F226 HydrophobicContact CB-CB 4.34Å; P222-F226 HydrophobicContact CB-CD1 3.53Å; P222-F226 HydrophobicContact CB-CE1 4.06Å; P222-F226 HydrophobicContact CB-CG 4.07Å; P222-F226 HydrophobicContact CG-CD1 4.33Å; P222-F226 HydrophobicContact CG-CE1 4.41Å; D223-F226 WeakPolarHBondContact O-CB 3.28Å; D223-F226 PolarHBondContact O-N 3.28Å; D223-F226 WeakPolarHBondContact OD1-CA 3.45Å; D223-F226 WeakPolarHBondContact OD1-CB 3.4Å; D223-F226 PolarHBondContact OD1-N 3.43Å; L224-F226 VanDerWaalsContact C-N 3.27Å; L224-F226 PolarHBondContact O-N 3.31Å; F226-A228 VanDerWaalsContact C-N 3.35Å; F226-A228 PolarHBondContact O-N 3.38Å; F226-K229 PolarHBondContact O-N 3.21Å; F226-T230 WeakPolarHBondContact O-CB 3.44Å; F226-T230 PolarHBondContact O-N 3.08Å; F226-T230 PolarHBondContact O-OG1 3.42Å |
| 227 | F | 85.1 | Confident | 79.7 | Confident | 5 Ų | 5 | 73 Ų | 73 | 2% | 0.022 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 179 | -77 | -75.8 | 0 | 0 | 0 | 112.8 | P222 D223 L224 K229 T230 L231 M278 L279 L282 | P222-F227 HydrophobicContact CB-CD2 4.39Å; P222-F227 HydrophobicContact CB-CE2 3.75Å; P222-F227 HydrophobicContact CB-CZ 4.26Å; P222-F227 HydrophobicContact CG-CE2 4.02Å; P222-F227 HydrophobicContact CG-CZ 4.07Å; D223-F227 WeakPolarHBondContact O-CD2 3.31Å; D223-F227 PolarHBondContact O-N 2.95Å; L224-F227 PolarHBondContact O-N 3.03Å; F227-K229 PolarHBondContact O-N 3.22Å; F227-T230 PolarHBondContact O-N 3.5Å; F227-L231 VanDerWaalsContact O-CB 3.32Å; F227-L231 WeakPolarHBondContact O-CB 3.37Å; F227-L231 VanDerWaalsContact O-CG 3.24Å; F227-L231 WeakPolarHBondContact O-CG 3.26Å; F227-L231 PolarHBondContact O-N 3.06Å; F227-M278 HydrophobicContact CE1-CB 4.01Å; F227-M278 HydrophobicContact CZ-CB 4.3Å; F227-L279 HydrophobicContact CB-CD1 3.99Å; F227-L279 HydrophobicContact CD1-CB 3.98Å; F227-L279 HydrophobicContact CD1-CD1 3.93Å; F227-L279 HydrophobicContact CD1-CG 4.41Å; F227-L279 HydrophobicContact CD2-CD1 3.96Å; F227-L279 HydrophobicContact CE1-CB 4.09Å; F227-L279 HydrophobicContact CE1-CD1 4.39Å; F227-L279 HydrophobicContact CE2-CD1 4.43Å; F227-L279 HydrophobicContact CG-CD1 3.69Å; F227-L282 HydrophobicContact CD2-CD2 4.15Å; F227-L282 HydrophobicContact CE2-CD2 3.72Å; F227-L282 HydrophobicContact CZ-CD2 4.49Å |
| 228 | A | 86.3 | Confident | 81.3 | Confident | 29 Ų | 29 | 68.8 Ų | 68.8 | 24% | 0.24 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.6 | -47 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L224 F226 E232 L341 | L224-A228 PolarHBondContact O-N 3.45Å; F226-A228 VanDerWaalsContact C-N 3.35Å; F226-A228 PolarHBondContact O-N 3.38Å; A228-E232 WeakPolarHBondContact O-CB 3.3Å; A228-E232 PolarHBondContact O-N 2.66Å; A228-E232 VanDerWaalsContact O-N 3.1Å; A228-L341 HydrophobicContact CB-CD1 4.28Å; A228-L341 HydrophobicContact CB-CD2 4.06Å |
| 229 | K | 87.4 | Confident | 82.9 | Confident | 137 Ų | 137 | 68 Ų | 68 | 60% | 0.596 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -68 | -40.7 | 178.4 | -70.9 | 172.3 | -178.1 | 167.7 | 0 | 112.3 | S225 F226 F227 E232 L233 | S225-K229 WeakPolarHBondContact O-CG 3.26Å; S225-K229 PolarHBondContact O-N 3.47Å; F226-K229 PolarHBondContact O-N 3.21Å; F227-K229 PolarHBondContact O-N 3.22Å; K229-E232 PolarHBondContact O-N 3.12Å; K229-L233 WeakPolarHBondContact O-CB 3.44Å; K229-L233 PolarHBondContact O-N 3.19Å |
| 230 | T | 86.3 | Confident | 84.4 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 8% | 0.08 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 179.4 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | F226 F227 L233 Y234 | F226-T230 WeakPolarHBondContact O-CB 3.44Å; F226-T230 PolarHBondContact O-N 3.08Å; F226-T230 PolarHBondContact O-OG1 3.42Å; F227-T230 PolarHBondContact O-N 3.5Å; T230-L233 PolarHBondContact O-N 2.75Å; T230-Y234 HydrophobicContact CG2-CD1 4.08Å; T230-Y234 HydrophobicContact CG2-CD2 4.23Å; T230-Y234 HydrophobicContact CG2-CE1 3.71Å; T230-Y234 HydrophobicContact CG2-CE2 3.9Å; T230-Y234 HydrophobicContact CG2-CG 4.32Å; T230-Y234 WeakPolarHBondContact O-CB 3.48Å; T230-Y234 WeakPolarHBondContact O-CD1 3.37Å; T230-Y234 PolarHBondContact O-N 3.3Å |
| 231 | L | 87.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 176.8 | -72.2 | 175.4 | 0 | 0 | 0 | 112.3 | F227 Y234 H235 L272 H276 L279 Y345 | F227-L231 VanDerWaalsContact O-CB 3.32Å; F227-L231 WeakPolarHBondContact O-CB 3.37Å; F227-L231 VanDerWaalsContact O-CG 3.24Å; F227-L231 WeakPolarHBondContact O-CG 3.26Å; F227-L231 PolarHBondContact O-N 3.06Å; L231-Y234 PolarHBondContact O-N 2.97Å; L231-H235 WeakPolarHBondContact O-CB 3.06Å; L231-H235 PolarHBondContact O-N 3.01Å; L231-H235 PolarHBondContact O-ND1 3.29Å; L231-L272 HydrophobicContact CD2-CD1 4.15Å; L231-H276 VanDerWaalsContact CD2-CD2 3.45Å; L231-H276 WeakPolarHBondContact CD2-CD2 3.38Å; L231-L279 HydrophobicContact CD1-CD2 3.72Å; L231-Y345 HydrophobicContact CB-CD1 4.29Å; L231-Y345 HydrophobicContact CB-CD2 4Å; L231-Y345 HydrophobicContact CB-CE1 4.25Å; L231-Y345 HydrophobicContact CB-CE2 3.96Å; L231-Y345 HydrophobicContact CB-CG 4.17Å; L231-Y345 HydrophobicContact CD1-CD2 3.91Å; L231-Y345 HydrophobicContact CD1-CE2 4.41Å; L231-Y345 HydrophobicContact CD1-CG 4.37Å |
| 232 | E | 89.8 | Confident | 87 | Confident | 128 Ų | 128 | 55 Ų | 55 | 60% | 0.598 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.1 | -49.7 | 175.1 | -170.2 | 173.8 | -164.4 | 0 | 0 | 111 | A228 K229 Y234 G236 Y345 | A228-E232 WeakPolarHBondContact O-CB 3.3Å; A228-E232 PolarHBondContact O-N 2.66Å; A228-E232 VanDerWaalsContact O-N 3.1Å; K229-E232 PolarHBondContact O-N 3.12Å; E232-Y234 PolarHBondContact O-N 3.18Å; E232-G236 PolarHBondContact O-N 2.89Å; E232-Y345 WeakPolarHBondContact CA-OH 3.2Å; E232-Y345 VanDerWaalsContact CB-OH 3.3Å; E232-Y345 WeakPolarHBondContact CB-OH 3.42Å |
| 233 | L | 89.6 | Confident | 88.1 | Confident | 84 Ų | 84 | 57.3 Ų | 57.3 | 44% | 0.44 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 178.7 | 178.1 | 63.9 | 0 | 0 | 0 | 111.6 | F205 K229 T230 G236 K237 | F205-L233 HydrophobicContact CD2-CD2 4.39Å; F205-L233 HydrophobicContact CD2-CG 4.48Å; F205-L233 HydrophobicContact CE2-CD2 4.01Å; F205-L233 HydrophobicContact CE2-CG 4.02Å; K229-L233 WeakPolarHBondContact O-CB 3.44Å; K229-L233 PolarHBondContact O-N 3.19Å; T230-L233 PolarHBondContact O-N 2.75Å; L233-G236 PolarHBondContact O-N 3.03Å; L233-K237 HydrophobicContact CD1-CG 4.31Å; L233-K237 VanDerWaalsContact O-CG 3.31Å; L233-K237 WeakPolarHBondContact O-CG 3.32Å; L233-K237 PolarHBondContact O-N 2.86Å |
| 234 | Y | 89.9 | Confident | 88.6 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.3 | -39.7 | -172.2 | -73.8 | 23.4 | 0 | 0 | 0 | 110.5 | F205 N209 T230 L231 E232 K237 Y238 S271 | F205-Y234 AromaticContact CE2-CD1 3.54Å; F205-Y234 HydrophobicContact CE2-CD1 3.54Å; F205-Y234 AromaticContact CE2-CE1 3.47Å; F205-Y234 HydrophobicContact CE2-CE1 3.47Å; F205-Y234 VanDerWaalsContact CE2-CE1 3.47Å; F205-Y234 HydrophobicContact CE2-CG 4.47Å; F205-Y234 AromaticContact CZ-CD1 3.45Å; F205-Y234 HydrophobicContact CZ-CD1 3.45Å; F205-Y234 VanDerWaalsContact CZ-CD1 3.45Å; F205-Y234 HydrophobicContact CZ-CD2 4.46Å; F205-Y234 AromaticContact CZ-CE1 3.52Å; F205-Y234 HydrophobicContact CZ-CE1 3.52Å; F205-Y234 HydrophobicContact CZ-CE2 4.49Å; F205-Y234 AromaticContact CZ-CG 3.98Å; F205-Y234 HydrophobicContact CZ-CG 3.98Å; N209-Y234 PolarHBondContact OD1-OH 3.05Å; T230-Y234 HydrophobicContact CG2-CD1 4.08Å; T230-Y234 HydrophobicContact CG2-CD2 4.23Å; T230-Y234 HydrophobicContact CG2-CE1 3.71Å; T230-Y234 HydrophobicContact CG2-CE2 3.9Å; T230-Y234 HydrophobicContact CG2-CG 4.32Å; T230-Y234 WeakPolarHBondContact O-CB 3.48Å; T230-Y234 WeakPolarHBondContact O-CD1 3.37Å; T230-Y234 PolarHBondContact O-N 3.3Å; L231-Y234 PolarHBondContact O-N 2.97Å; E232-Y234 PolarHBondContact O-N 3.18Å; Y234-K237 PolarHBondContact O-N 3.38Å; Y234-Y238 WeakPolarHBondContact O-CB 3.39Å; Y234-Y238 PolarHBondContact O-N 2.9Å; Y234-S271 WeakPolarHBondContact CD2-O 3.47Å; Y234-S271 WeakPolarHBondContact CE2-O 3.42Å |
| 235 | H | 90.3 | Very high | 89 | Confident | 32 Ų | 32 | 57.5 Ų | 57.5 | 15% | 0.148 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 171 | -81 | 86.8 | 0 | 0 | 0 | 112.2 | L231 Y238 K239 L272 H276 Y345 | L231-H235 WeakPolarHBondContact O-CB 3.06Å; L231-H235 PolarHBondContact O-N 3.01Å; L231-H235 PolarHBondContact O-ND1 3.29Å; H235-Y238 PolarHBondContact O-N 3.03Å; H235-K239 WeakPolarHBondContact O-CB 3.38Å; H235-K239 VanDerWaalsContact O-CG 3.31Å; H235-K239 WeakPolarHBondContact O-CG 3.45Å; H235-K239 PolarHBondContact O-N 3.26Å; H235-L272 VanDerWaalsContact CE1-CD1 3.45Å; H235-L272 WeakPolarHBondContact CE1-CD1 3.21Å; H235-L272 WeakPolarHBondContact ND1-CD1 3.15Å; H235-H276 AromaticContact CE1-CE1 3.95Å; H235-H276 AromaticContact CE1-NE2 3.39Å; H235-H276 PolarHBondContact CE1-NE2 3.05Å; H235-Y345 HydrophobicContact CB-CD1 4.41Å; H235-Y345 HydrophobicContact CB-CE1 4.45Å; H235-Y345 AromaticContact CE1-CD1 3.49Å; H235-Y345 VanDerWaalsContact CE1-CD1 3.49Å; H235-Y345 WeakPolarHBondContact CE1-CD1 3.35Å; H235-Y345 AromaticContact CE1-CG 3.88Å; H235-Y345 AromaticContact CG-CD1 3.73Å; H235-Y345 AromaticContact ND1-CD1 3.31Å; H235-Y345 VanDerWaalsContact ND1-CD1 3.31Å; H235-Y345 WeakPolarHBondContact ND1-CD1 3.28Å; H235-Y345 AromaticContact ND1-CE1 3.93Å; H235-Y345 PolarHBondContact NE2-O 2.92Å |
| 236 | G | 90.4 | Very high | 89.3 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.3 | -49.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E232 L233 Y238 K239 E240 | E232-G236 PolarHBondContact O-N 2.89Å; L233-G236 PolarHBondContact O-N 3.03Å; G236-Y238 PolarHBondContact O-N 3.18Å; G236-K239 PolarHBondContact O-N 3.33Å; G236-E240 WeakPolarHBondContact O-CG 3.49Å; G236-E240 PolarHBondContact O-N 3.08Å |
| 237 | K | 90.5 | Very high | 89.4 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 14% | 0.143 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66 | -39.4 | 179.6 | -69.9 | -72.7 | 160.2 | -125.3 | 0 | 113.3 | F202 F205 L233 Y234 E240 A241 T268 | F202-K237 HydrophobicContact CE1-CD 4.5Å; F205-K237 HydrophobicContact CD2-CD 4.48Å; F205-K237 HydrophobicContact CD2-CG 3.99Å; F205-K237 HydrophobicContact CE2-CG 4.12Å; F205-K237 HydrophobicContact CG-CD 4.4Å; F205-K237 HydrophobicContact CG-CG 4.23Å; F205-K237 HydrophobicContact CZ-CB 4.48Å; F205-K237 HydrophobicContact CZ-CG 4.48Å; L233-K237 HydrophobicContact CD1-CG 4.31Å; L233-K237 VanDerWaalsContact O-CG 3.31Å; L233-K237 WeakPolarHBondContact O-CG 3.32Å; L233-K237 PolarHBondContact O-N 2.86Å; Y234-K237 PolarHBondContact O-N 3.38Å; K237-E240 IonicContact NZ-OE1 3.46Å; K237-E240 PolarHBondContact NZ-OE1 3.3Å; K237-E240 IonicContact NZ-OE2 3.42Å; K237-E240 PolarHBondContact NZ-OE2 3.43Å; K237-E240 PolarHBondContact O-N 3.42Å; K237-A241 WeakPolarHBondContact O-CB 3.48Å; K237-A241 PolarHBondContact O-N 3.38Å; K237-T268 HydrophobicContact CB-CG2 4.46Å |
| 238 | Y | 90.5 | Very high | 89.5 | Confident | 67 Ų | 67 | 62 Ų | 62 | 26% | 0.263 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 174.4 | 179.5 | -114.6 | 0 | 0 | 0 | 111.8 | Y234 H235 G236 A241 I242 L269 | Y234-Y238 WeakPolarHBondContact O-CB 3.39Å; Y234-Y238 PolarHBondContact O-N 2.9Å; H235-Y238 PolarHBondContact O-N 3.03Å; G236-Y238 PolarHBondContact O-N 3.18Å; Y238-A241 PolarHBondContact O-N 3.13Å; Y238-I242 HydrophobicContact CD1-CD1 3.73Å; Y238-I242 HydrophobicContact CD2-CD1 4.24Å; Y238-I242 HydrophobicContact CE1-CD1 3.26Å; Y238-I242 HydrophobicContact CE1-CG1 4.44Å; Y238-I242 HydrophobicContact CE2-CD1 3.82Å; Y238-I242 HydrophobicContact CE2-CG1 4.2Å; Y238-I242 HydrophobicContact CG-CD1 4.2Å; Y238-I242 WeakPolarHBondContact O-CG1 3.48Å; Y238-I242 PolarHBondContact O-N 2.92Å; Y238-L269 HydrophobicContact CD2-CB 4.19Å; Y238-L269 HydrophobicContact CE2-CB 3.81Å; Y238-L269 HydrophobicContact CE2-CD1 3.97Å; Y238-L269 HydrophobicContact CE2-CG 4.33Å |
| 239 | K | 91.3 | Very high | 89.6 | Confident | 147 Ų | 147 | 65.3 Ų | 65.3 | 64% | 0.639 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 174.6 | -74.8 | 177.1 | -179.1 | 179.3 | 0 | 112.2 | H235 G236 A241 I242 A243 | H235-K239 WeakPolarHBondContact O-CB 3.38Å; H235-K239 VanDerWaalsContact O-CG 3.31Å; H235-K239 WeakPolarHBondContact O-CG 3.45Å; H235-K239 PolarHBondContact O-N 3.26Å; G236-K239 PolarHBondContact O-N 3.33Å; K239-A241 VanDerWaalsContact C-N 3.31Å; K239-A241 PolarHBondContact O-N 3.15Å; K239-I242 PolarHBondContact O-N 2.86Å; K239-A243 WeakPolarHBondContact O-CB 2.98Å; K239-A243 PolarHBondContact O-N 2.91Å; K239-A243 VanDerWaalsContact O-N 3.08Å |
| 240 | E | 91.5 | Very high | 89.6 | Confident | 83 Ų | 83 | 59.3 Ų | 59.3 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.2 | -43 | 174.7 | -72.9 | 172.2 | -130.3 | 0 | 0 | 111.2 | H201 F202 G236 K237 A243 I244 | H201-E240 IonicContact CD2-OE2 3.85Å; H201-E240 IonicContact NE2-OE2 3.79Å; H201-E240 PolarHBondContact NE2-OE2 3.31Å; F202-E240 HydrophobicContact CE1-CB 4.3Å; F202-E240 HydrophobicContact CZ-CB 3.93Å; G236-E240 WeakPolarHBondContact O-CG 3.49Å; G236-E240 PolarHBondContact O-N 3.08Å; K237-E240 IonicContact NZ-OE1 3.46Å; K237-E240 PolarHBondContact NZ-OE1 3.3Å; K237-E240 IonicContact NZ-OE2 3.42Å; K237-E240 PolarHBondContact NZ-OE2 3.43Å; K237-E240 PolarHBondContact O-N 3.42Å; E240-A243 PolarHBondContact O-N 3.42Å; E240-I244 PolarHBondContact O-N 3.4Å |
| 241 | A | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F202 K237 Y238 K239 A243 I244 L264 N265 | F202-A241 HydrophobicContact CE1-CB 3.82Å; F202-A241 HydrophobicContact CZ-CB 4.13Å; K237-A241 WeakPolarHBondContact O-CB 3.48Å; K237-A241 PolarHBondContact O-N 3.38Å; Y238-A241 PolarHBondContact O-N 3.13Å; K239-A241 VanDerWaalsContact C-N 3.31Å; K239-A241 PolarHBondContact O-N 3.15Å; A241-A243 VanDerWaalsContact C-N 3.3Å; A241-A243 PolarHBondContact O-N 3.39Å; A241-I244 WeakPolarHBondContact O-CB 3.24Å; A241-I244 VanDerWaalsContact O-CG1 3.3Å; A241-I244 WeakPolarHBondContact O-CG1 3.41Å; A241-I244 PolarHBondContact O-N 3.35Å; A241-L264 HydrophobicContact CB-CB 4.42Å; A241-N265 WeakPolarHBondContact CB-OD1 3.36Å; A241-N265 PolarHBondContact O-OD1 3.06Å |
| 242 | I | 90.3 | Very high | 89.4 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.1 | -35.1 | 176.7 | -66.6 | 162.4 | 0 | 0 | 0 | 111.5 | Y238 K239 I244 K261 N265 | Y238-I242 HydrophobicContact CD1-CD1 3.73Å; Y238-I242 HydrophobicContact CD2-CD1 4.24Å; Y238-I242 HydrophobicContact CE1-CD1 3.26Å; Y238-I242 HydrophobicContact CE1-CG1 4.44Å; Y238-I242 HydrophobicContact CE2-CD1 3.82Å; Y238-I242 HydrophobicContact CE2-CG1 4.2Å; Y238-I242 HydrophobicContact CG-CD1 4.2Å; Y238-I242 WeakPolarHBondContact O-CG1 3.48Å; Y238-I242 PolarHBondContact O-N 2.92Å; K239-I242 PolarHBondContact O-N 2.86Å; I242-I244 PolarHBondContact O-N 2.83Å; I242-K261 VanDerWaalsContact O-CE 3.26Å; I242-K261 WeakPolarHBondContact O-CE 3.44Å; I242-K261 PolarHBondContact O-NZ 3.36Å; I242-N265 PolarHBondContact N-OD1 3.13Å; I242-N265 VanDerWaalsContact N-OD1 3.13Å |
| 243 | A | 91.8 | Very high | 89.4 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 61% | 0.612 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -9.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K239 E240 A241 Q245 | K239-A243 WeakPolarHBondContact O-CB 2.98Å; K239-A243 PolarHBondContact O-N 2.91Å; K239-A243 VanDerWaalsContact O-N 3.08Å; E240-A243 PolarHBondContact O-N 3.42Å; A241-A243 VanDerWaalsContact C-N 3.3Å; A241-A243 PolarHBondContact O-N 3.39Å; A243-Q245 PolarHBondContact O-N 3.17Å |
| 244 | I | 89.8 | Confident | 89.5 | Confident | 16 Ų | 16 | 50.2 Ų | 50.2 | 8% | 0.082 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -57.7 | 133.6 | 173.3 | -61.3 | 173.4 | 0 | 0 | 0 | 109.1 | F199 F202 E240 A241 I242 Q257 K261 L264 | F199-I244 HydrophobicContact CD1-CD1 4.11Å; F199-I244 HydrophobicContact CE1-CD1 3.92Å; F199-I244 HydrophobicContact CE1-CG1 4.1Å; F199-I244 HydrophobicContact CE1-CG2 4Å; F199-I244 HydrophobicContact CZ-CG2 4.36Å; F202-I244 HydrophobicContact CE2-CD1 3.87Å; F202-I244 HydrophobicContact CZ-CD1 4.09Å; E240-I244 PolarHBondContact O-N 3.4Å; A241-I244 WeakPolarHBondContact O-CB 3.24Å; A241-I244 VanDerWaalsContact O-CG1 3.3Å; A241-I244 WeakPolarHBondContact O-CG1 3.41Å; A241-I244 PolarHBondContact O-N 3.35Å; I242-I244 PolarHBondContact O-N 2.83Å; I244-Q257 HydrophobicContact CG2-CB 4.45Å; I244-K261 HydrophobicContact CB-CB 4.37Å; I244-K261 HydrophobicContact CB-CD 4.27Å; I244-K261 HydrophobicContact CB-CG 4.21Å; I244-K261 HydrophobicContact CG2-CB 4.19Å; I244-K261 VanDerWaalsContact O-CD 3.32Å; I244-K261 WeakPolarHBondContact O-CD 2.95Å; I244-K261 VanDerWaalsContact O-CE 3.24Å; I244-K261 WeakPolarHBondContact O-CE 3.45Å; I244-K261 PolarHBondContact O-NZ 3.42Å; I244-L264 HydrophobicContact CD1-CD1 3.79Å |
| 245 | Q | 89.3 | Confident | 89.7 | Confident | 135 Ų | 135 | 49.8 Ų | 49.8 | 63% | 0.631 | 25% | 0.254 | S | S | * | . | trans | -76.1 | 143.8 | 176.6 | -64.4 | -178.3 | 5.9 | 0 | 0 | 110 | A243 K247 Q257 | A243-Q245 PolarHBondContact O-N 3.17Å; Q245-K247 VanDerWaalsContact C-N 3.29Å; Q245-K247 PolarHBondContact O-N 2.79Å; Q245-Q257 PolarHBondContact O-OE1 3Å | ||
| 246 | D | 90.3 | Very high | 89.8 | Confident | 74 Ų | 74 | 49.7 Ų | 49.7 | 40% | 0.396 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -69.2 | -31.9 | -178 | -60.8 | -11.7 | 0 | 0 | 0 | 111.6 | Q257 L258 K261 | D246-Q257 PolarHBondContact O-N 2.93Å; D246-L258 HydrophobicContact CB-CD1 4.35Å; D246-L258 PolarHBondContact O-N 2.86Å; D246-K261 VanDerWaalsContact OD1-CD 3.29Å; D246-K261 WeakPolarHBondContact OD1-CD 3.48Å; D246-K261 IonicContact OD1-NZ 2.69Å; D246-K261 PolarHBondContact OD1-NZ 2.87Å |
| 247 | K | 88.7 | Confident | 89.9 | Confident | 109 Ų | 109 | 48.7 Ų | 48.7 | 47% | 0.474 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 138.4 | -179 | -63.1 | -174.8 | 177.5 | -174.8 | 0 | 110.5 | Q245 L254 V255 D256 | Q245-K247 VanDerWaalsContact C-N 3.29Å; Q245-K247 PolarHBondContact O-N 2.79Å; K247-L254 HydrophobicContact CB-CD1 4Å; K247-L254 HydrophobicContact CD-CD2 4.31Å; K247-V255 WeakPolarHBondContact CA-O 3.29Å; K247-D256 WeakPolarHBondContact CE-OD2 3.32Å |
| 248 | M | 87.7 | Confident | 90 | Very high | 35 Ų | 35 | 50.4 Ų | 50.4 | 17% | 0.172 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 122.6 | -179.4 | -175.6 | 169.7 | 73.9 | 0 | 0 | 110.7 | L250 V255 | M248-L250 HydrophobicContact CE-CD1 3.83Å; M248-L250 HydrophobicContact CE-CD2 3.98Å; M248-L250 HydrophobicContact CE-CG 4.05Å; M248-L250 HydrophobicContact CG-CD2 4.16Å; M248-L250 HydrophobicContact CG-CG 4.34Å; M248-L250 HydrophobicContact SD-CD2 4.38Å; M248-V255 PolarHBondContact N-O 3.48Å; M248-V255 PolarHBondContact O-N 3.24Å |
| 249 | H | 87.4 | Confident | 90.1 | Very high | 97 Ų | 97 | 51 Ų | 51 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 124 | 177.6 | -68.7 | -93.6 | 0 | 0 | 0 | 110.2 | P54 P88 | P54-H249 WeakPolarHBondContact CB-O 3.48Å; P54-H249 WeakPolarHBondContact CG-O 3.46Å; P88-H249 VanDerWaalsContact CD-CE1 3.48Å; P88-H249 WeakPolarHBondContact CD-CE1 3.29Å; P88-H249 WeakPolarHBondContact CD-ND1 3.49Å; P88-H249 VanDerWaalsContact CG-ND1 3.32Å; P88-H249 WeakPolarHBondContact CG-ND1 3.32Å |
| 250 | L | 86.5 | Confident | 90.2 | Very high | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 53 | 179.3 | -63.9 | -177.2 | 0 | 0 | 0 | 110.7 | P54 L191 A192 M248 L252 L253 V255 | P54-L250 HydrophobicContact CG-CD2 4.49Å; L191-L250 HydrophobicContact CD2-CB 4.14Å; L191-L250 HydrophobicContact CD2-CD2 4.2Å; L191-L250 HydrophobicContact CG-CD1 4.49Å; L191-L250 HydrophobicContact CG-CD2 4.23Å; A192-L250 VanDerWaalsContact CA-CD1 3.46Å; A192-L250 HydrophobicContact CB-CD1 3.78Å; M248-L250 HydrophobicContact CE-CD1 3.83Å; M248-L250 HydrophobicContact CE-CD2 3.98Å; M248-L250 HydrophobicContact CE-CG 4.05Å; M248-L250 HydrophobicContact CG-CD2 4.16Å; M248-L250 HydrophobicContact CG-CG 4.34Å; M248-L250 HydrophobicContact SD-CD2 4.38Å; L250-L252 PolarHBondContact O-N 3.32Å; L250-L253 CarbonylContact C-O 3.54Å; L250-L253 WeakPolarHBondContact CA-O 3.5Å; L250-L253 HydrophobicContact CB-CB 4.44Å; L250-L253 PolarHBondContact N-O 3.46Å; L250-L253 PolarHBondContact O-N 3.47Å; L250-V255 HydrophobicContact CD1-CG2 3.68Å; L250-V255 HydrophobicContact CG-CG2 4.33Å |
| 251 | G | 84.1 | Confident | 90.2 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 13% | 0.134 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | -105.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q49 L253 | Q49-G251 WeakPolarHBondContact O-CA 3.49Å; G251-L253 VanDerWaalsContact C-N 3.25Å; G251-L253 PolarHBondContact O-N 3.47Å |
| 252 | L | 87.2 | Confident | 90.3 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.7 | 179.1 | -176.5 | 63.2 | 0 | 0 | 0 | 113.6 | F46 Q49 V50 L89 L90 L185 A188 L250 | F46-L252 HydrophobicContact CD1-CD1 4.26Å; F46-L252 HydrophobicContact CD1-CD2 3.67Å; F46-L252 HydrophobicContact CD2-CD1 4.29Å; F46-L252 HydrophobicContact CE1-CD1 4.43Å; F46-L252 HydrophobicContact CE1-CD2 3.89Å; F46-L252 HydrophobicContact CE2-CD1 4.45Å; F46-L252 HydrophobicContact CG-CD1 4.18Å; F46-L252 HydrophobicContact CG-CD2 4.3Å; Q49-L252 HydrophobicContact CB-CB 4.36Å; Q49-L252 HydrophobicContact CB-CD1 4.2Å; V50-L252 HydrophobicContact CG2-CB 4.3Å; V50-L252 HydrophobicContact CG2-CD2 4.32Å; L89-L252 HydrophobicContact CB-CD1 4.16Å; L89-L252 HydrophobicContact CD1-CD1 3.76Å; L89-L252 PolarHBondContact N-O 3.26Å; L90-L252 HydrophobicContact CD1-CD1 4.41Å; L90-L252 HydrophobicContact CD1-CD2 4.24Å; L90-L252 HydrophobicContact CD1-CG 4.08Å; L90-L252 HydrophobicContact CG-CD1 4.47Å; L90-L252 HydrophobicContact CG-CG 4.45Å; L90-L252 PolarHBondContact N-O 3.49Å; L90-L252 VanDerWaalsContact N-O 3.16Å; L185-L252 HydrophobicContact CD1-CD2 4.36Å; A188-L252 HydrophobicContact CB-CB 4Å; A188-L252 HydrophobicContact CB-CD2 3.98Å; A188-L252 HydrophobicContact CB-CG 4.43Å; L250-L252 PolarHBondContact O-N 3.32Å |
| 253 | L | 90.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 137.2 | -175.3 | -72 | 167.4 | 0 | 0 | 0 | 112.5 | L90 T92 A188 F189 A192 L250 G251 | L90-L253 HydrophobicContact CB-CD2 3.68Å; L90-L253 HydrophobicContact CD1-CD2 4.33Å; L90-L253 CarbonylContact O-C 3.54Å; L90-L253 WeakPolarHBondContact O-CA 3.3Å; T92-L253 HydrophobicContact CG2-CD2 4.2Å; A188-L253 HydrophobicContact CB-CD1 3.65Å; A188-L253 HydrophobicContact CB-CG 3.97Å; A188-L253 WeakPolarHBondContact O-CD1 3.5Å; F189-L253 HydrophobicContact CD1-CD1 4.39Å; F189-L253 HydrophobicContact CD2-CD1 3.76Å; F189-L253 HydrophobicContact CE1-CD1 4.46Å; F189-L253 HydrophobicContact CE2-CD1 3.85Å; F189-L253 HydrophobicContact CE2-CD2 3.87Å; F189-L253 HydrophobicContact CE2-CG 4.48Å; F189-L253 HydrophobicContact CG-CD1 4.04Å; F189-L253 HydrophobicContact CZ-CD1 4.2Å; F189-L253 HydrophobicContact CZ-CD2 4.09Å; A192-L253 HydrophobicContact CB-CD1 4.32Å; L250-L253 CarbonylContact C-O 3.54Å; L250-L253 WeakPolarHBondContact CA-O 3.5Å; L250-L253 HydrophobicContact CB-CB 4.44Å; L250-L253 PolarHBondContact N-O 3.46Å; L250-L253 PolarHBondContact O-N 3.47Å; G251-L253 VanDerWaalsContact C-N 3.25Å; G251-L253 PolarHBondContact O-N 3.47Å |
| 254 | L | 91.4 | Very high | 90.3 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 11% | 0.105 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 117.4 | 158.6 | -169.7 | 51.2 | 0 | 0 | 0 | 108 | P88 L90 T91 T92 K247 | P88-L254 HydrophobicContact CB-CB 3.78Å; P88-L254 HydrophobicContact CG-CB 3.49Å; P88-L254 VanDerWaalsContact CG-CB 3.49Å; P88-L254 HydrophobicContact CG-CD1 4.04Å; P88-L254 HydrophobicContact CG-CD2 3.96Å; P88-L254 HydrophobicContact CG-CG 4.03Å; L90-L254 PolarHBondContact O-N 2.83Å; T91-L254 WeakPolarHBondContact CA-O 3.48Å; T91-L254 HydrophobicContact CG2-CB 4.33Å; T91-L254 HydrophobicContact CG2-CD2 4.47Å; T92-L254 PolarHBondContact N-O 3.42Å; K247-L254 HydrophobicContact CB-CD1 4Å; K247-L254 HydrophobicContact CD-CD2 4.31Å |
| 255 | V | 92.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 112.1 | 174 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | T92 L94 F103 A192 K247 M248 L250 Q257 | T92-V255 HydrophobicContact CG2-CG2 4.16Å; T92-V255 CarbonylContact O-C 3.57Å; T92-V255 VanDerWaalsContact O-CA 3.31Å; T92-V255 WeakPolarHBondContact O-CA 3.36Å; L94-V255 HydrophobicContact CB-CG1 3.77Å; F103-V255 HydrophobicContact CE1-CG1 3.95Å; F103-V255 HydrophobicContact CE1-CG2 4.32Å; A192-V255 HydrophobicContact CB-CG2 4.23Å; K247-V255 WeakPolarHBondContact CA-O 3.29Å; M248-V255 PolarHBondContact N-O 3.48Å; M248-V255 PolarHBondContact O-N 3.24Å; L250-V255 HydrophobicContact CD1-CG2 3.68Å; L250-V255 HydrophobicContact CG-CG2 4.33Å; V255-Q257 HydrophobicContact CG1-CG 3.99Å |
| 256 | D | 92.9 | Very high | 90.5 | Very high | 30 Ų | 30 | 41.7 Ų | 41.7 | 16% | 0.16 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 124.3 | 168.9 | -160.3 | -36.5 | 0 | 0 | 0 | 109.1 | T92 E93 L94 K247 L258 | T92-D256 PolarHBondContact O-N 3.46Å; E93-D256 HydrophobicContact CB-CB 4.48Å; E93-D256 HydrophobicContact CG-CB 4.44Å; L94-D256 PolarHBondContact N-O 3.08Å; K247-D256 WeakPolarHBondContact CE-OD2 3.32Å; D256-L258 WeakPolarHBondContact OD1-CB 3.45Å; D256-L258 PolarHBondContact OD1-N 3.42Å |
| 257 | Q | 92.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.023 | 21% | 0.214 | C | C | . | . | trans | -117.3 | 5.6 | -177 | -59.9 | 177.8 | -2.2 | 0 | 0 | 111.3 | I244 Q245 D246 V255 Q259 L260 K261 | I244-Q257 HydrophobicContact CG2-CB 4.45Å; Q245-Q257 PolarHBondContact O-OE1 3Å; D246-Q257 PolarHBondContact O-N 2.93Å; V255-Q257 HydrophobicContact CG1-CG 3.99Å; Q257-Q259 PolarHBondContact O-N 3.34Å; Q257-L260 PolarHBondContact O-N 2.86Å; Q257-K261 VanDerWaalsContact O-CB 3.29Å; Q257-K261 WeakPolarHBondContact O-CB 3.5Å; Q257-K261 PolarHBondContact O-N 2.8Å | ||
| 258 | L | 92.5 | Very high | 90.4 | Very high | 69 Ų | 69 | 35.9 Ų | 35.9 | 36% | 0.361 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59 | -48.5 | -173.6 | -179.6 | 64.5 | 0 | 0 | 0 | 111.8 | D246 D256 K261 Q262 | D246-L258 HydrophobicContact CB-CD1 4.35Å; D246-L258 PolarHBondContact O-N 2.86Å; D256-L258 WeakPolarHBondContact OD1-CB 3.45Å; D256-L258 PolarHBondContact OD1-N 3.42Å; L258-K261 PolarHBondContact O-N 2.95Å; L258-Q262 VanDerWaalsContact O-CG 3.3Å; L258-Q262 WeakPolarHBondContact O-CG 3.44Å; L258-Q262 PolarHBondContact O-N 3.19Å |
| 259 | Q | 92.7 | Very high | 90.5 | Very high | 79 Ų | 79 | 36.9 Ų | 36.9 | 37% | 0.369 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.2 | -42.3 | -179.4 | -175 | 170.2 | -16.3 | 0 | 0 | 111.7 | E93 L95 Q257 K261 Q262 Q263 | E93-Q259 WeakPolarHBondContact OE1-CB 3.23Å; E93-Q259 PolarHBondContact OE1-OE1 3.45Å; L95-Q259 HydrophobicContact CD2-CB 3.93Å; L95-Q259 HydrophobicContact CD2-CG 3.87Å; L95-Q259 VanDerWaalsContact CD2-OE1 3.31Å; Q257-Q259 PolarHBondContact O-N 3.34Å; Q259-K261 PolarHBondContact O-N 3.48Å; Q259-Q262 PolarHBondContact O-N 3.07Å; Q259-Q263 WeakPolarHBondContact O-CG 3.47Å; Q259-Q263 PolarHBondContact O-N 3.4Å |
| 260 | L | 92.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.8 | -50.7 | 173.3 | 176 | 68.1 | 0 | 0 | 0 | 111 | L94 L96 L101 F199 Q257 Q262 Q263 L264 | L94-L260 HydrophobicContact CD2-CD2 3.61Å; L94-L260 HydrophobicContact CG-CD2 3.96Å; L94-L260 WeakPolarHBondContact O-CB 3.39Å; L96-L260 HydrophobicContact CB-CD1 3.74Å; L101-L260 HydrophobicContact CD2-CD1 3.72Å; L101-L260 HydrophobicContact CD2-CD2 4.22Å; F199-L260 HydrophobicContact CB-CD2 4.48Å; F199-L260 HydrophobicContact CD1-CD2 4.25Å; F199-L260 HydrophobicContact CD2-CD2 3.83Å; F199-L260 HydrophobicContact CE1-CD2 4.49Å; F199-L260 HydrophobicContact CE2-CD2 4.09Å; F199-L260 HydrophobicContact CG-CD2 3.93Å; F199-L260 HydrophobicContact CZ-CD2 4.42Å; Q257-L260 PolarHBondContact O-N 2.86Å; L260-Q262 VanDerWaalsContact C-N 3.33Å; L260-Q262 PolarHBondContact O-N 3.47Å; L260-Q263 PolarHBondContact O-N 3.49Å; L260-L264 HydrophobicContact CD1-CD1 3.95Å; L260-L264 HydrophobicContact CD1-CG 4.01Å; L260-L264 HydrophobicContact CD2-CD1 4.43Å; L260-L264 HydrophobicContact CG-CD1 3.89Å; L260-L264 HydrophobicContact CG-CG 4.26Å; L260-L264 WeakPolarHBondContact O-CB 3.29Å; L260-L264 WeakPolarHBondContact O-CG 3.23Å; L260-L264 PolarHBondContact O-N 3.16Å |
| 261 | K | 93 | Very high | 90.6 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 15% | 0.152 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.5 | -46.2 | 178.1 | 174 | -179.6 | 179.5 | 173 | 0 | 111.5 | I242 I244 D246 Q257 L258 Q259 Q263 L264 N265 | I242-K261 VanDerWaalsContact O-CE 3.26Å; I242-K261 WeakPolarHBondContact O-CE 3.44Å; I242-K261 PolarHBondContact O-NZ 3.36Å; I244-K261 HydrophobicContact CB-CB 4.37Å; I244-K261 HydrophobicContact CB-CD 4.27Å; I244-K261 HydrophobicContact CB-CG 4.21Å; I244-K261 HydrophobicContact CG2-CB 4.19Å; I244-K261 VanDerWaalsContact O-CD 3.32Å; I244-K261 WeakPolarHBondContact O-CD 2.95Å; I244-K261 VanDerWaalsContact O-CE 3.24Å; I244-K261 WeakPolarHBondContact O-CE 3.45Å; I244-K261 PolarHBondContact O-NZ 3.42Å; D246-K261 VanDerWaalsContact OD1-CD 3.29Å; D246-K261 WeakPolarHBondContact OD1-CD 3.48Å; D246-K261 IonicContact OD1-NZ 2.69Å; D246-K261 PolarHBondContact OD1-NZ 2.87Å; Q257-K261 VanDerWaalsContact O-CB 3.29Å; Q257-K261 WeakPolarHBondContact O-CB 3.5Å; Q257-K261 PolarHBondContact O-N 2.8Å; L258-K261 PolarHBondContact O-N 2.95Å; Q259-K261 PolarHBondContact O-N 3.48Å; K261-Q263 PolarHBondContact O-N 2.92Å; K261-L264 PolarHBondContact O-N 2.99Å; K261-N265 WeakPolarHBondContact CG-ND2 3.32Å; K261-N265 WeakPolarHBondContact O-CB 3.32Å; K261-N265 PolarHBondContact O-N 3.05Å; K261-N265 PolarHBondContact O-ND2 2.95Å |
| 262 | Q | 93 | Very high | 90.8 | Very high | 115 Ų | 115 | 34.4 Ų | 34.4 | 54% | 0.537 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.2 | -44.1 | 177.3 | -73.7 | 174.1 | -1.7 | 0 | 0 | 112 | L258 Q259 L260 N265 A266 | L258-Q262 VanDerWaalsContact O-CG 3.3Å; L258-Q262 WeakPolarHBondContact O-CG 3.44Å; L258-Q262 PolarHBondContact O-N 3.19Å; Q259-Q262 PolarHBondContact O-N 3.07Å; L260-Q262 VanDerWaalsContact C-N 3.33Å; L260-Q262 PolarHBondContact O-N 3.47Å; Q262-N265 PolarHBondContact O-N 3.37Å; Q262-A266 VanDerWaalsContact O-CB 3.32Å; Q262-A266 WeakPolarHBondContact O-CB 3.48Å; Q262-A266 PolarHBondContact O-N 2.87Å |
| 263 | Q | 91.3 | Very high | 90.8 | Very high | 76 Ų | 76 | 39.8 Ų | 39.8 | 36% | 0.355 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 177.6 | -72.8 | -177.1 | -47.4 | 0 | 0 | 112.1 | Q259 L260 K261 A266 S267 | Q259-Q263 WeakPolarHBondContact O-CG 3.47Å; Q259-Q263 PolarHBondContact O-N 3.4Å; L260-Q263 PolarHBondContact O-N 3.49Å; K261-Q263 PolarHBondContact O-N 2.92Å; Q263-A266 PolarHBondContact O-N 3.42Å; Q263-S267 WeakPolarHBondContact O-CB 3.4Å; Q263-S267 PolarHBondContact O-N 3.19Å |
| 264 | L | 91 | Very high | 90.5 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.2 | -41.6 | 177.6 | -67.6 | -178.6 | 0 | 0 | 0 | 111.7 | L96 F202 A241 I244 L260 K261 S267 T268 | L96-L264 HydrophobicContact CD2-CD2 4.17Å; F202-L264 HydrophobicContact CB-CD1 4.25Å; F202-L264 HydrophobicContact CB-CD2 3.81Å; F202-L264 HydrophobicContact CD2-CD1 3.76Å; F202-L264 HydrophobicContact CE2-CD1 4.21Å; F202-L264 HydrophobicContact CG-CD1 3.95Å; F202-L264 HydrophobicContact CG-CD2 4.24Å; A241-L264 HydrophobicContact CB-CB 4.42Å; I244-L264 HydrophobicContact CD1-CD1 3.79Å; L260-L264 HydrophobicContact CD1-CD1 3.95Å; L260-L264 HydrophobicContact CD1-CG 4.01Å; L260-L264 HydrophobicContact CD2-CD1 4.43Å; L260-L264 HydrophobicContact CG-CD1 3.89Å; L260-L264 HydrophobicContact CG-CG 4.26Å; L260-L264 WeakPolarHBondContact O-CB 3.29Å; L260-L264 WeakPolarHBondContact O-CG 3.23Å; L260-L264 PolarHBondContact O-N 3.16Å; K261-L264 PolarHBondContact O-N 2.99Å; L264-S267 PolarHBondContact O-N 2.75Å; L264-T268 WeakPolarHBondContact O-CB 3.37Å; L264-T268 WeakPolarHBondContact O-CG2 3.45Å; L264-T268 PolarHBondContact O-N 3.3Å; L264-T268 PolarHBondContact O-OG1 3.32Å |
| 265 | N | 91.1 | Very high | 90.2 | Very high | 31 Ų | 31 | 43 Ų | 43 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -48.1 | 175.2 | -74.9 | -14.6 | 0 | 0 | 0 | 111.4 | A241 I242 K261 Q262 S267 T268 L269 | A241-N265 WeakPolarHBondContact CB-OD1 3.36Å; A241-N265 PolarHBondContact O-OD1 3.06Å; I242-N265 PolarHBondContact N-OD1 3.13Å; I242-N265 VanDerWaalsContact N-OD1 3.13Å; K261-N265 WeakPolarHBondContact CG-ND2 3.32Å; K261-N265 WeakPolarHBondContact O-CB 3.32Å; K261-N265 PolarHBondContact O-N 3.05Å; K261-N265 PolarHBondContact O-ND2 2.95Å; Q262-N265 PolarHBondContact O-N 3.37Å; N265-S267 VanDerWaalsContact C-N 3.35Å; N265-S267 PolarHBondContact O-N 2.78Å; N265-T268 PolarHBondContact O-N 2.86Å; N265-T268 PolarHBondContact O-OG1 3.41Å; N265-L269 WeakPolarHBondContact O-CB 3.42Å; N265-L269 PolarHBondContact O-N 2.83Å |
| 266 | A | 90.7 | Very high | 90 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 51% | 0.512 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q262 Q263 S270 | Q262-A266 VanDerWaalsContact O-CB 3.32Å; Q262-A266 WeakPolarHBondContact O-CB 3.48Å; Q262-A266 PolarHBondContact O-N 2.87Å; Q263-A266 PolarHBondContact O-N 3.42Å; A266-S270 WeakPolarHBondContact O-CB 3.39Å; A266-S270 PolarHBondContact O-N 3.4Å |
| 267 | S | 88.4 | Confident | 89.7 | Confident | 57 Ų | 57 | 44.2 Ų | 44.2 | 40% | 0.399 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 178.8 | -176.3 | 0 | 0 | 0 | 0 | 112.4 | Q263 L264 N265 S271 | Q263-S267 WeakPolarHBondContact O-CB 3.4Å; Q263-S267 PolarHBondContact O-N 3.19Å; L264-S267 PolarHBondContact O-N 2.75Å; N265-S267 VanDerWaalsContact C-N 3.35Å; N265-S267 PolarHBondContact O-N 2.78Å; S267-S271 PolarHBondContact O-N 2.79Å; S267-S271 PolarHBondContact O-OG 3.19Å |
| 268 | T | 89.7 | Confident | 89.3 | Confident | 5 Ų | 5 | 47.8 Ų | 47.8 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.7 | -36.1 | -179.2 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | F205 K237 L264 N265 L272 | F205-T268 HydrophobicContact CD1-CG2 4.49Å; F205-T268 HydrophobicContact CE1-CG2 4.25Å; K237-T268 HydrophobicContact CB-CG2 4.46Å; L264-T268 WeakPolarHBondContact O-CB 3.37Å; L264-T268 WeakPolarHBondContact O-CG2 3.45Å; L264-T268 PolarHBondContact O-N 3.3Å; L264-T268 PolarHBondContact O-OG1 3.32Å; N265-T268 PolarHBondContact O-N 2.86Å; N265-T268 PolarHBondContact O-OG1 3.41Å; T268-L272 WeakPolarHBondContact O-CB 3.33Å; T268-L272 PolarHBondContact O-N 3.23Å |
| 269 | L | 89.9 | Confident | 89 | Confident | 56 Ų | 56 | 44.5 Ų | 44.5 | 29% | 0.293 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.2 | -47.1 | 173.9 | -176.5 | 60.8 | 0 | 0 | 0 | 111.7 | Y238 N265 S271 L272 E273 | Y238-L269 HydrophobicContact CD2-CB 4.19Å; Y238-L269 HydrophobicContact CE2-CB 3.81Å; Y238-L269 HydrophobicContact CE2-CD1 3.97Å; Y238-L269 HydrophobicContact CE2-CG 4.33Å; N265-L269 WeakPolarHBondContact O-CB 3.42Å; N265-L269 PolarHBondContact O-N 2.83Å; L269-S271 VanDerWaalsContact C-N 3.32Å; L269-S271 PolarHBondContact O-N 3.41Å; L269-L272 WeakPolarHBondContact O-CB 3.37Å; L269-L272 PolarHBondContact O-N 3.48Å; L269-L272 VanDerWaalsContact O-N 3.08Å; L269-E273 HydrophobicContact CD1-CG 4.24Å; L269-E273 HydrophobicContact CG-CG 4.38Å; L269-E273 WeakPolarHBondContact O-CG 3.33Å; L269-E273 PolarHBondContact O-N 2.94Å |
| 270 | S | 88.2 | Confident | 88.9 | Confident | 52 Ų | 52 | 42 Ų | 42 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -55.6 | -48.2 | 176.8 | -169.5 | 0 | 0 | 0 | 0 | 111.3 | A266 L272 E273 E274 | A266-S270 WeakPolarHBondContact O-CB 3.39Å; A266-S270 PolarHBondContact O-N 3.4Å; S270-L272 VanDerWaalsContact C-N 3.27Å; S270-L272 PolarHBondContact O-N 3.5Å; S270-E273 PolarHBondContact O-N 3.31Å; S270-E274 WeakPolarHBondContact O-CB 3.31Å; S270-E274 VanDerWaalsContact O-CG 3.26Å; S270-E274 WeakPolarHBondContact O-CG 3.18Å; S270-E274 PolarHBondContact O-N 3.49Å; S270-E274 PolarHBondContact OG-OE1 2.95Å |
| 271 | S | 86.3 | Confident | 88.6 | Confident | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -34.9 | 178.3 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | N209 Y234 S267 L269 S275 | N209-S271 VanDerWaalsContact ND2-CB 3.31Å; N209-S271 WeakPolarHBondContact ND2-CB 3.38Å; N209-S271 PolarHBondContact ND2-OG 3.38Å; Y234-S271 WeakPolarHBondContact CD2-O 3.47Å; Y234-S271 WeakPolarHBondContact CE2-O 3.42Å; S267-S271 PolarHBondContact O-N 2.79Å; S267-S271 PolarHBondContact O-OG 3.19Å; L269-S271 VanDerWaalsContact C-N 3.32Å; L269-S271 PolarHBondContact O-N 3.41Å; S271-S275 PolarHBondContact O-N 3.33Å |
| 272 | L | 88.5 | Confident | 88.2 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.1 | -44.7 | 176 | -178.3 | 63.5 | 0 | 0 | 0 | 112 | L231 H235 T268 L269 S270 E274 S275 H276 | L231-L272 HydrophobicContact CD2-CD1 4.15Å; H235-L272 VanDerWaalsContact CE1-CD1 3.45Å; H235-L272 WeakPolarHBondContact CE1-CD1 3.21Å; H235-L272 WeakPolarHBondContact ND1-CD1 3.15Å; T268-L272 WeakPolarHBondContact O-CB 3.33Å; T268-L272 PolarHBondContact O-N 3.23Å; L269-L272 WeakPolarHBondContact O-CB 3.37Å; L269-L272 PolarHBondContact O-N 3.48Å; L269-L272 VanDerWaalsContact O-N 3.08Å; S270-L272 VanDerWaalsContact C-N 3.27Å; S270-L272 PolarHBondContact O-N 3.5Å; L272-E274 VanDerWaalsContact C-N 3.34Å; L272-E274 PolarHBondContact O-N 2.98Å; L272-S275 WeakPolarHBondContact O-CB 3.39Å; L272-S275 PolarHBondContact O-N 3.31Å; L272-H276 PolarHBondContact O-N 3.19Å |
| 273 | E | 87.8 | Confident | 88.1 | Confident | 115 Ų | 115 | 42.7 Ų | 42.7 | 54% | 0.537 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 177 | -71.8 | 179.7 | 167.6 | 0 | 0 | 112.2 | L269 S270 H276 G277 | L269-E273 HydrophobicContact CD1-CG 4.24Å; L269-E273 HydrophobicContact CG-CG 4.38Å; L269-E273 WeakPolarHBondContact O-CG 3.33Å; L269-E273 PolarHBondContact O-N 2.94Å; S270-E273 PolarHBondContact O-N 3.31Å; E273-H276 WeakPolarHBondContact O-CB 3.44Å; E273-H276 PolarHBondContact O-N 2.96Å; E273-G277 PolarHBondContact O-N 2.84Å |
| 274 | E | 85.1 | Confident | 88 | Confident | 77 Ų | 77 | 43.6 Ų | 43.6 | 36% | 0.36 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60 | -45.6 | 172.6 | -73.8 | 158.1 | -152.6 | 0 | 0 | 111.2 | S270 L272 G277 M278 | S270-E274 WeakPolarHBondContact O-CB 3.31Å; S270-E274 VanDerWaalsContact O-CG 3.26Å; S270-E274 WeakPolarHBondContact O-CG 3.18Å; S270-E274 PolarHBondContact O-N 3.49Å; S270-E274 PolarHBondContact OG-OE1 2.95Å; L272-E274 VanDerWaalsContact C-N 3.34Å; L272-E274 PolarHBondContact O-N 2.98Å; E274-G277 PolarHBondContact O-N 2.83Å; E274-M278 WeakPolarHBondContact O-CG 3.35Å; E274-M278 PolarHBondContact O-N 3.14Å |
| 275 | S | 85.1 | Confident | 88 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 6% | 0.063 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63 | -43.3 | 176.1 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | S271 L272 G277 M278 L279 | S271-S275 PolarHBondContact O-N 3.33Å; L272-S275 WeakPolarHBondContact O-CB 3.39Å; L272-S275 PolarHBondContact O-N 3.31Å; S275-G277 VanDerWaalsContact C-N 3.35Å; S275-G277 PolarHBondContact O-N 3.05Å; S275-M278 PolarHBondContact O-N 2.84Å; S275-L279 PolarHBondContact O-N 3.37Å |
| 276 | H | 88.4 | Confident | 87.9 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 14% | 0.139 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58 | -46.8 | 172.7 | -68.6 | 164.8 | 0 | 0 | 0 | 111.5 | L231 H235 L272 E273 M278 L279 I280 V347 | L231-H276 VanDerWaalsContact CD2-CD2 3.45Å; L231-H276 WeakPolarHBondContact CD2-CD2 3.38Å; H235-H276 AromaticContact CE1-CE1 3.95Å; H235-H276 AromaticContact CE1-NE2 3.39Å; H235-H276 PolarHBondContact CE1-NE2 3.05Å; L272-H276 PolarHBondContact O-N 3.19Å; E273-H276 WeakPolarHBondContact O-CB 3.44Å; E273-H276 PolarHBondContact O-N 2.96Å; H276-M278 PolarHBondContact O-N 2.82Å; H276-L279 PolarHBondContact O-N 2.66Å; H276-I280 VanDerWaalsContact O-CG1 3.26Å; H276-I280 WeakPolarHBondContact O-CG1 3.3Å; H276-I280 PolarHBondContact O-N 3.43Å; H276-V347 HydrophobicContact CB-CG1 3.92Å; H276-V347 VanDerWaalsContact CD2-CG2 3.5Å; H276-V347 WeakPolarHBondContact CD2-CG2 3.33Å |
| 277 | G | 86.4 | Confident | 88 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.8 | -40.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | E273 E274 S275 K281 | E273-G277 PolarHBondContact O-N 2.84Å; E274-G277 PolarHBondContact O-N 2.83Å; S275-G277 VanDerWaalsContact C-N 3.35Å; S275-G277 PolarHBondContact O-N 3.05Å; G277-K281 WeakPolarHBondContact O-CG 3.44Å; G277-K281 PolarHBondContact O-N 2.91Å; G277-K281 VanDerWaalsContact O-N 3.14Å |
| 278 | M | 84.4 | Confident | 88.2 | Confident | 79 Ų | 79 | 46.3 Ų | 46.3 | 39% | 0.389 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 174.5 | -70.7 | -176.5 | -172.3 | 0 | 0 | 111.9 | F227 E274 S275 H276 I280 K281 L282 | F227-M278 HydrophobicContact CE1-CB 4.01Å; F227-M278 HydrophobicContact CZ-CB 4.3Å; E274-M278 WeakPolarHBondContact O-CG 3.35Å; E274-M278 PolarHBondContact O-N 3.14Å; S275-M278 PolarHBondContact O-N 2.84Å; H276-M278 PolarHBondContact O-N 2.82Å; M278-I280 PolarHBondContact O-N 3.32Å; M278-K281 PolarHBondContact O-N 2.99Å; M278-L282 PolarHBondContact O-N 3.23Å |
| 279 | L | 86.6 | Confident | 88.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 179.5 | -173.2 | 60.7 | 0 | 0 | 0 | 112.1 | F227 L231 S275 H276 L282 A283 V338 L341 F342 | F227-L279 HydrophobicContact CB-CD1 3.99Å; F227-L279 HydrophobicContact CD1-CB 3.98Å; F227-L279 HydrophobicContact CD1-CD1 3.93Å; F227-L279 HydrophobicContact CD1-CG 4.41Å; F227-L279 HydrophobicContact CD2-CD1 3.96Å; F227-L279 HydrophobicContact CE1-CB 4.09Å; F227-L279 HydrophobicContact CE1-CD1 4.39Å; F227-L279 HydrophobicContact CE2-CD1 4.43Å; F227-L279 HydrophobicContact CG-CD1 3.69Å; L231-L279 HydrophobicContact CD1-CD2 3.72Å; S275-L279 PolarHBondContact O-N 3.37Å; H276-L279 PolarHBondContact O-N 2.66Å; L279-L282 HydrophobicContact CD1-CD2 4.34Å; L279-L282 PolarHBondContact O-N 2.96Å; L279-A283 WeakPolarHBondContact O-CB 3.5Å; L279-A283 PolarHBondContact O-N 3.45Å; L279-V338 HydrophobicContact CD1-CG1 3.82Å; L279-V338 HydrophobicContact CG-CG1 4.14Å; L279-L341 HydrophobicContact CD2-CB 4.43Å; L279-F342 HydrophobicContact CB-CE1 4.03Å; L279-F342 HydrophobicContact CD2-CD1 3.91Å; L279-F342 HydrophobicContact CD2-CE1 3.5Å; L279-F342 HydrophobicContact CD2-CZ 4.39Å; L279-F342 HydrophobicContact CG-CD1 4.33Å; L279-F342 HydrophobicContact CG-CE1 3.44Å; L279-F342 VanDerWaalsContact CG-CE1 3.44Å; L279-F342 HydrophobicContact CG-CZ 3.94Å |
| 280 | I | 88.6 | Confident | 88.4 | Confident | 26 Ų | 26 | 48 Ų | 48 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | 174.6 | -69.1 | 165.2 | 0 | 0 | 0 | 110.8 | H276 M278 L282 A283 R284 F342 V347 | H276-I280 VanDerWaalsContact O-CG1 3.26Å; H276-I280 WeakPolarHBondContact O-CG1 3.3Å; H276-I280 PolarHBondContact O-N 3.43Å; M278-I280 PolarHBondContact O-N 3.32Å; I280-L282 PolarHBondContact O-N 3Å; I280-A283 PolarHBondContact O-N 3.38Å; I280-R284 PolarHBondContact O-N 3.16Å; I280-F342 HydrophobicContact CG1-CE1 3.98Å; I280-F342 HydrophobicContact CG1-CZ 4.02Å; I280-V347 HydrophobicContact CD1-CG1 4.01Å; I280-V347 HydrophobicContact CG1-CG1 4.26Å |
| 281 | K | 86.6 | Confident | 88.6 | Confident | 150 Ų | 150 | 48 Ų | 48 | 65% | 0.652 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.3 | -42.4 | 176.9 | -73.8 | 172.6 | -177.8 | 176.2 | 0 | 112.1 | G277 M278 K285 | G277-K281 WeakPolarHBondContact O-CG 3.44Å; G277-K281 PolarHBondContact O-N 2.91Å; G277-K281 VanDerWaalsContact O-N 3.14Å; M278-K281 PolarHBondContact O-N 2.99Å; K281-K285 WeakPolarHBondContact O-CB 3.44Å; K281-K285 PolarHBondContact O-N 2.87Å |
| 282 | L | 86.2 | Confident | 88.9 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -48 | 175.6 | -176.7 | 73.6 | 0 | 0 | 0 | 111 | E221 F227 M278 L279 I280 R284 K285 Q286 | E221-L282 HydrophobicContact CG-CD1 3.86Å; F227-L282 HydrophobicContact CD2-CD2 4.15Å; F227-L282 HydrophobicContact CE2-CD2 3.72Å; F227-L282 HydrophobicContact CZ-CD2 4.49Å; M278-L282 PolarHBondContact O-N 3.23Å; L279-L282 HydrophobicContact CD1-CD2 4.34Å; L279-L282 PolarHBondContact O-N 2.96Å; I280-L282 PolarHBondContact O-N 3Å; L282-R284 PolarHBondContact O-N 2.91Å; L282-K285 PolarHBondContact O-N 3.34Å; L282-Q286 WeakPolarHBondContact O-CG 3.44Å; L282-Q286 PolarHBondContact O-N 2.94Å |
| 283 | A | 89 | Confident | 89 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L279 I280 K285 Q286 V287 V338 Y339 F342 | L279-A283 WeakPolarHBondContact O-CB 3.5Å; L279-A283 PolarHBondContact O-N 3.45Å; I280-A283 PolarHBondContact O-N 3.38Å; A283-K285 PolarHBondContact O-N 3.3Å; A283-Q286 PolarHBondContact O-N 2.74Å; A283-V287 VanDerWaalsContact O-CG2 3.3Å; A283-V287 WeakPolarHBondContact O-CG2 3.5Å; A283-V287 PolarHBondContact O-N 3.13Å; A283-V338 HydrophobicContact CB-CG1 3.7Å; A283-Y339 HydrophobicContact CB-CE2 4.09Å; A283-F342 HydrophobicContact CB-CE2 3.68Å; A283-F342 HydrophobicContact CB-CZ 3.63Å |
| 284 | R | 90.3 | Very high | 89.1 | Confident | 96 Ų | 96 | 48.5 Ų | 48.5 | 36% | 0.362 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.2 | -49.2 | 176.9 | -176.4 | -177.5 | -61.1 | 149.6 | 7.6 | 111.2 | I280 L282 Q286 V287 D288 D353 | I280-R284 PolarHBondContact O-N 3.16Å; L282-R284 PolarHBondContact O-N 2.91Å; R284-Q286 VanDerWaalsContact C-N 3.34Å; R284-Q286 PolarHBondContact O-N 3.33Å; R284-V287 PolarHBondContact O-N 3.08Å; R284-D288 WeakPolarHBondContact O-CB 3.28Å; R284-D288 VanDerWaalsContact O-CG 3.25Å; R284-D288 PolarHBondContact O-N 2.96Å; R284-D353 IonicContact CZ-OD1 3.67Å; R284-D353 IonicContact CZ-OD2 3.96Å; R284-D353 IonicContact NE-OD1 2.66Å; R284-D353 PolarHBondContact NE-OD1 3.34Å; R284-D353 IonicContact NE-OD2 2.82Å; R284-D353 PolarHBondContact NE-OD2 2.95Å; R284-D353 IonicContact NH2-OD1 3.5Å; R284-D353 PolarHBondContact NH2-OD1 3.12Å; R284-D353 IonicContact NH2-OD2 2.75Å; R284-D353 PolarHBondContact NH2-OD2 3.29Å |
| 285 | K | 89.9 | Confident | 89.3 | Confident | 87 Ų | 87 | 46.3 Ų | 46.3 | 38% | 0.378 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 178.8 | -175.1 | -174.2 | 170.7 | -170.2 | 0 | 111.7 | E221 K281 L282 A283 V287 D288 D289 | E221-K285 IonicContact OE1-NZ 3.74Å; E221-K285 PolarHBondContact OE1-NZ 2.83Å; E221-K285 IonicContact OE2-NZ 2.74Å; K281-K285 WeakPolarHBondContact O-CB 3.44Å; K281-K285 PolarHBondContact O-N 2.87Å; L282-K285 PolarHBondContact O-N 3.34Å; A283-K285 PolarHBondContact O-N 3.3Å; K285-V287 VanDerWaalsContact C-N 3.34Å; K285-V287 PolarHBondContact O-N 3.45Å; K285-D288 PolarHBondContact O-N 2.76Å; K285-D289 WeakPolarHBondContact O-CB 3.45Å; K285-D289 PolarHBondContact O-N 2.83Å |
| 286 | Q | 90 | Very high | 89.5 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 178.8 | -70.7 | -179.5 | -3.6 | 0 | 0 | 112.5 | L282 A283 R284 L290 V335 | L282-Q286 WeakPolarHBondContact O-CG 3.44Å; L282-Q286 PolarHBondContact O-N 2.94Å; A283-Q286 PolarHBondContact O-N 2.74Å; R284-Q286 VanDerWaalsContact C-N 3.34Å; R284-Q286 PolarHBondContact O-N 3.33Å; Q286-L290 VanDerWaalsContact O-CB 3.24Å; Q286-L290 WeakPolarHBondContact O-CB 3.27Å; Q286-L290 PolarHBondContact O-N 2.8Å; Q286-L290 VanDerWaalsContact O-N 3.1Å; Q286-V335 HydrophobicContact CB-CG2 3.72Å |
| 287 | V | 92.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.4 | -48.9 | 174.9 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | A283 R284 K285 L290 L291 V335 Y339 D356 F357 L360 | A283-V287 VanDerWaalsContact O-CG2 3.3Å; A283-V287 WeakPolarHBondContact O-CG2 3.5Å; A283-V287 PolarHBondContact O-N 3.13Å; R284-V287 PolarHBondContact O-N 3.08Å; K285-V287 VanDerWaalsContact C-N 3.34Å; K285-V287 PolarHBondContact O-N 3.45Å; V287-L290 PolarHBondContact O-N 3.28Å; V287-L291 HydrophobicContact CG1-CD1 3.76Å; V287-L291 WeakPolarHBondContact O-CB 3.43Å; V287-L291 PolarHBondContact O-N 3.34Å; V287-V335 HydrophobicContact CG2-CG1 3.56Å; V287-Y339 HydrophobicContact CG2-CE2 3.95Å; V287-D356 HydrophobicContact CG1-CB 3.93Å; V287-F357 HydrophobicContact CG2-CB 4.31Å; V287-F357 HydrophobicContact CG2-CD2 4.32Å; V287-L360 HydrophobicContact CB-CD1 4.32Å; V287-L360 HydrophobicContact CG1-CD1 4Å; V287-L360 HydrophobicContact CG1-CG 4.44Å; V287-L360 HydrophobicContact CG2-CD1 4Å |
| 288 | D | 92.4 | Very high | 89.7 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62 | -45.2 | -179.4 | -70.3 | -18.9 | 0 | 0 | 0 | 112 | R284 K285 L290 L291 T292 | R284-D288 WeakPolarHBondContact O-CB 3.28Å; R284-D288 VanDerWaalsContact O-CG 3.25Å; R284-D288 PolarHBondContact O-N 2.96Å; K285-D288 PolarHBondContact O-N 2.76Å; D288-L290 VanDerWaalsContact C-N 3.33Å; D288-L290 PolarHBondContact O-N 2.85Å; D288-L291 PolarHBondContact O-N 3.23Å; D288-T292 WeakPolarHBondContact O-CB 3.44Å; D288-T292 PolarHBondContact O-N 3.01Å; D288-T292 PolarHBondContact O-OG1 3.31Å |
| 289 | D | 91.1 | Very high | 89.8 | Confident | 93 Ų | 93 | 49.9 Ų | 49.9 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 177.4 | -72.2 | -17.8 | 0 | 0 | 0 | 110.4 | K285 T292 K293 | K285-D289 WeakPolarHBondContact O-CB 3.45Å; K285-D289 PolarHBondContact O-N 2.83Å; D289-T292 PolarHBondContact O-N 3.47Å; D289-K293 WeakPolarHBondContact O-CB 3.28Å; D289-K293 PolarHBondContact O-N 2.78Å |
| 290 | L | 92.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.9 | -40.9 | 179.4 | -172 | 60.7 | 0 | 0 | 0 | 112.4 | Q286 V287 D288 T292 K293 V294 V328 Q331 H332 L360 I364 | Q286-L290 VanDerWaalsContact O-CB 3.24Å; Q286-L290 WeakPolarHBondContact O-CB 3.27Å; Q286-L290 PolarHBondContact O-N 2.8Å; Q286-L290 VanDerWaalsContact O-N 3.1Å; V287-L290 PolarHBondContact O-N 3.28Å; D288-L290 VanDerWaalsContact C-N 3.33Å; D288-L290 PolarHBondContact O-N 2.85Å; L290-T292 VanDerWaalsContact C-N 3.31Å; L290-T292 PolarHBondContact O-N 3.1Å; L290-K293 PolarHBondContact O-N 3.07Å; L290-V294 HydrophobicContact CD1-CG2 4.32Å; L290-V294 HydrophobicContact CG-CG2 4.47Å; L290-V294 WeakPolarHBondContact O-CB 3.23Å; L290-V294 VanDerWaalsContact O-CG2 3.26Å; L290-V294 WeakPolarHBondContact O-CG2 3.45Å; L290-V294 PolarHBondContact O-N 3.07Å; L290-V328 HydrophobicContact CD1-CG1 3.9Å; L290-Q331 HydrophobicContact CD1-CB 4.05Å; L290-H332 HydrophobicContact CD2-CB 3.93Å; L290-L360 HydrophobicContact CB-CD2 4.13Å; L290-L360 HydrophobicContact CD2-CD1 4.12Å; L290-L360 HydrophobicContact CD2-CD2 3.96Å; L290-L360 HydrophobicContact CG-CD2 3.91Å; L290-I364 HydrophobicContact CD2-CD1 4.35Å |
| 291 | L | 92 | Very high | 89.7 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 27% | 0.272 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 174.8 | -113.3 | 136.2 | 0 | 0 | 0 | 111.1 | V287 D288 G295 D356 L360 | V287-L291 HydrophobicContact CG1-CD1 3.76Å; V287-L291 WeakPolarHBondContact O-CB 3.43Å; V287-L291 PolarHBondContact O-N 3.34Å; D288-L291 PolarHBondContact O-N 3.23Å; L291-G295 PolarHBondContact O-N 2.79Å; L291-D356 HydrophobicContact CD1-CB 4.24Å; L291-L360 HydrophobicContact CB-CD2 4.32Å; L291-L360 HydrophobicContact CD1-CD2 3.93Å; L291-L360 HydrophobicContact CD1-CG 4.18Å; L291-L360 HydrophobicContact CG-CD2 3.82Å |
| 292 | T | 92.8 | Very high | 89.6 | Confident | 75 Ų | 75 | 53.1 Ų | 53.1 | 46% | 0.46 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 176.4 | -56 | 0 | 0 | 0 | 0 | 110.5 | D288 D289 L290 V294 G295 E296 | D288-T292 WeakPolarHBondContact O-CB 3.44Å; D288-T292 PolarHBondContact O-N 3.01Å; D288-T292 PolarHBondContact O-OG1 3.31Å; D289-T292 PolarHBondContact O-N 3.47Å; L290-T292 VanDerWaalsContact C-N 3.31Å; L290-T292 PolarHBondContact O-N 3.1Å; T292-V294 PolarHBondContact O-N 3.47Å; T292-G295 PolarHBondContact O-N 2.85Å; T292-E296 HydrophobicContact CG2-CG 4.42Å; T292-E296 WeakPolarHBondContact O-CB 3.27Å; T292-E296 WeakPolarHBondContact O-CG 3.49Å; T292-E296 PolarHBondContact O-N 2.94Å |
| 293 | K | 90.1 | Very high | 89.5 | Confident | 65 Ų | 65 | 55.2 Ų | 55.2 | 28% | 0.283 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 177.9 | -172.1 | -179.5 | -179.6 | -171.2 | 0 | 112.2 | D289 L290 A297 V328 | D289-K293 WeakPolarHBondContact O-CB 3.28Å; D289-K293 PolarHBondContact O-N 2.78Å; L290-K293 PolarHBondContact O-N 3.07Å; K293-A297 WeakPolarHBondContact O-CB 3.34Å; K293-A297 PolarHBondContact O-N 3.47Å; K293-V328 HydrophobicContact CD-CG2 4.14Å |
| 294 | V | 90.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 178.3 | 170 | 0 | 0 | 0 | 0 | 111.1 | L290 T292 A297 K298 V328 N363 I364 L367 | L290-V294 HydrophobicContact CD1-CG2 4.32Å; L290-V294 HydrophobicContact CG-CG2 4.47Å; L290-V294 WeakPolarHBondContact O-CB 3.23Å; L290-V294 VanDerWaalsContact O-CG2 3.26Å; L290-V294 WeakPolarHBondContact O-CG2 3.45Å; L290-V294 PolarHBondContact O-N 3.07Å; T292-V294 PolarHBondContact O-N 3.47Å; V294-A297 PolarHBondContact O-N 3.09Å; V294-K298 HydrophobicContact CG1-CD 4.23Å; V294-K298 VanDerWaalsContact O-CG 3.25Å; V294-K298 WeakPolarHBondContact O-CG 3.39Å; V294-K298 PolarHBondContact O-N 3.49Å; V294-V328 HydrophobicContact CG2-CG1 3.85Å; V294-N363 HydrophobicContact CG1-CB 3.97Å; V294-I364 HydrophobicContact CG2-CG1 3.97Å; V294-L367 HydrophobicContact CB-CD2 4.34Å; V294-L367 HydrophobicContact CG1-CB 4.39Å; V294-L367 HydrophobicContact CG1-CD2 4.03Å; V294-L367 HydrophobicContact CG2-CD2 4.14Å |
| 295 | G | 89.4 | Confident | 88.7 | Confident | 31 Ų | 31 | 59.4 Ų | 59.4 | 32% | 0.32 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L291 T292 K298 T299 | L291-G295 PolarHBondContact O-N 2.79Å; T292-G295 PolarHBondContact O-N 2.85Å; G295-K298 PolarHBondContact O-N 3.36Å; G295-T299 WeakPolarHBondContact O-CG2 3.43Å; G295-T299 PolarHBondContact O-N 3.29Å; G295-T299 PolarHBondContact O-OG1 3.19Å; G295-T299 VanDerWaalsContact O-OG1 3.11Å |
| 296 | E | 89.4 | Confident | 88.4 | Confident | 113 Ų | 113 | 59.6 Ų | 59.6 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 175.6 | -72.8 | 179 | -178.3 | 0 | 0 | 111.9 | T292 T299 K300 | T292-E296 HydrophobicContact CG2-CG 4.42Å; T292-E296 WeakPolarHBondContact O-CB 3.27Å; T292-E296 WeakPolarHBondContact O-CG 3.49Å; T292-E296 PolarHBondContact O-N 2.94Å; E296-T299 WeakPolarHBondContact CA-OG1 3.25Å; E296-T299 PolarHBondContact O-N 2.88Å; E296-T299 PolarHBondContact O-OG1 3.32Å; E296-K300 WeakPolarHBondContact O-CG 3.31Å; E296-K300 PolarHBondContact O-N 3.09Å; E296-K300 VanDerWaalsContact O-N 3.16Å |
| 297 | A | 88.4 | Confident | 88.3 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K293 V294 K300 L301 F317 F321 L367 | K293-A297 WeakPolarHBondContact O-CB 3.34Å; K293-A297 PolarHBondContact O-N 3.47Å; V294-A297 PolarHBondContact O-N 3.09Å; A297-K300 PolarHBondContact O-N 3.38Å; A297-L301 WeakPolarHBondContact O-CG 3.42Å; A297-L301 PolarHBondContact O-N 3Å; A297-F317 HydrophobicContact CB-CZ 3.95Å; A297-F321 HydrophobicContact CB-CD2 4.31Å; A297-F321 HydrophobicContact CB-CE1 3.9Å; A297-F321 HydrophobicContact CB-CE2 3.52Å; A297-F321 HydrophobicContact CB-CZ 3.28Å; A297-L367 HydrophobicContact CB-CD1 3.8Å; A297-L367 HydrophobicContact CB-CD2 4.1Å |
| 298 | K | 89.1 | Confident | 88 | Confident | 14 Ų | 14 | 60.2 Ų | 60.2 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 176.5 | -74.4 | 177.5 | 174.1 | -165.6 | 0 | 112.7 | V294 G295 K300 L301 E302 N363 L367 L370 | V294-K298 HydrophobicContact CG1-CD 4.23Å; V294-K298 VanDerWaalsContact O-CG 3.25Å; V294-K298 WeakPolarHBondContact O-CG 3.39Å; V294-K298 PolarHBondContact O-N 3.49Å; G295-K298 PolarHBondContact O-N 3.36Å; K298-K300 PolarHBondContact O-N 2.89Å; K298-L301 PolarHBondContact O-N 3.3Å; K298-L301 VanDerWaalsContact O-N 3.12Å; K298-E302 WeakPolarHBondContact O-CB 3.36Å; K298-E302 WeakPolarHBondContact O-CG 3.43Å; K298-E302 PolarHBondContact O-N 3.12Å; K298-N363 WeakPolarHBondContact CE-O 3.33Å; K298-N363 PolarHBondContact NZ-O 3.38Å; K298-N363 PolarHBondContact NZ-OD1 2.95Å; K298-L367 HydrophobicContact CG-CB 4.26Å; K298-L367 HydrophobicContact CG-CD1 4.02Å; K298-L370 HydrophobicContact CB-CD1 4.29Å; K298-L370 HydrophobicContact CG-CD1 3.98Å |
| 299 | T | 88.4 | Confident | 87.8 | Confident | 91 Ų | 91 | 61.4 Ų | 61.4 | 56% | 0.558 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63 | -33.8 | -178 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | G295 E296 S303 | G295-T299 WeakPolarHBondContact O-CG2 3.43Å; G295-T299 PolarHBondContact O-N 3.29Å; G295-T299 PolarHBondContact O-OG1 3.19Å; G295-T299 VanDerWaalsContact O-OG1 3.11Å; E296-T299 WeakPolarHBondContact CA-OG1 3.25Å; E296-T299 PolarHBondContact O-N 2.88Å; E296-T299 PolarHBondContact O-OG1 3.32Å; T299-S303 PolarHBondContact O-N 3.34Å |
| 300 | K | 85.9 | Confident | 87.7 | Confident | 110 Ų | 110 | 60.7 Ų | 60.7 | 48% | 0.478 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 171.8 | -74.6 | -179.6 | 178.9 | -177.7 | 0 | 112.9 | E296 A297 K298 S303 F317 | E296-K300 WeakPolarHBondContact O-CG 3.31Å; E296-K300 PolarHBondContact O-N 3.09Å; E296-K300 VanDerWaalsContact O-N 3.16Å; A297-K300 PolarHBondContact O-N 3.38Å; K298-K300 PolarHBondContact O-N 2.89Å; K300-S303 PolarHBondContact O-N 2.85Å; K300-S303 PolarHBondContact O-OG 2.66Å; K300-F317 HydrophobicContact CB-CD1 4.33Å; K300-F317 HydrophobicContact CB-CE1 4.17Å; K300-F317 HydrophobicContact CB-CZ 4.38Å; K300-F317 HydrophobicContact CD-CD2 3.88Å; K300-F317 HydrophobicContact CD-CE2 3.84Å; K300-F317 HydrophobicContact CD-CG 4.29Å; K300-F317 HydrophobicContact CD-CZ 4.24Å |
| 301 | L | 85.3 | Confident | 87.3 | Confident | 15 Ų | 15 | 61.4 Ų | 61.4 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 179.5 | -68.8 | 168.6 | 0 | 0 | 0 | 112.9 | A297 K298 S303 Q314 F317 L318 L367 L370 I371 A374 | A297-L301 WeakPolarHBondContact O-CG 3.42Å; A297-L301 PolarHBondContact O-N 3Å; K298-L301 PolarHBondContact O-N 3.3Å; K298-L301 VanDerWaalsContact O-N 3.12Å; L301-S303 PolarHBondContact O-N 2.88Å; L301-Q314 PolarHBondContact O-NE2 2.93Å; L301-F317 HydrophobicContact CD1-CE1 4.46Å; L301-F317 HydrophobicContact CD2-CD1 4.15Å; L301-F317 HydrophobicContact CD2-CE1 3.84Å; L301-F317 HydrophobicContact CG-CE1 3.85Å; L301-L318 HydrophobicContact CD2-CD2 3.48Å; L301-L318 VanDerWaalsContact CD2-CD2 3.48Å; L301-L318 HydrophobicContact CD2-CG 4.17Å; L301-L367 HydrophobicContact CD1-CD1 3.52Å; L301-L370 HydrophobicContact CB-CB 4.36Å; L301-L370 HydrophobicContact CD1-CB 4.06Å; L301-I371 HydrophobicContact CD1-CD1 4.33Å; L301-I371 HydrophobicContact CD1-CG1 3.49Å; L301-I371 VanDerWaalsContact CD1-CG1 3.49Å; L301-A374 HydrophobicContact CD2-CB 4.26Å |
| 302 | E | 85.8 | Confident | 87.1 | Confident | 120 Ų | 120 | 60.3 Ų | 60.3 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -76.4 | -11.2 | 178.3 | -68.5 | 176.8 | 166.9 | 0 | 0 | 113 | K298 L370 | K298-E302 WeakPolarHBondContact O-CB 3.36Å; K298-E302 WeakPolarHBondContact O-CG 3.43Å; K298-E302 PolarHBondContact O-N 3.12Å; E302-L370 HydrophobicContact CG-CD1 3.93Å; E302-L370 HydrophobicContact CG-CD2 4Å |
| 303 | S | 83.6 | Confident | 86.8 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 41% | 0.413 | 33% | 0.332 | S | S | . | . | trans | -70.5 | 138.5 | 177.9 | 77.1 | 0 | 0 | 0 | 0 | 111.1 | T299 K300 L301 P305 Q314 | T299-S303 PolarHBondContact O-N 3.34Å; K300-S303 PolarHBondContact O-N 2.85Å; K300-S303 PolarHBondContact O-OG 2.66Å; L301-S303 PolarHBondContact O-N 2.88Å; S303-P305 WeakPolarHBondContact O-CD 3.25Å; S303-Q314 PolarHBondContact O-NE2 3.49Å | ||
| 304 | Y | 80.5 | Confident | 86.6 | Confident | 178 Ų | 178 | 60.8 Ų | 60.8 | 70% | 0.698 | 33% | 0.325 | S | S | * | . | trans | -103.6 | 102.2 | 176.8 | -162 | -94.1 | 0 | 0 | 0 | 109.3 | R384 | Y304-R384 VanDerWaalsContact CE2-NH1 3.33Å; Y304-R384 VanDerWaalsContact CZ-CZ 3.42Å; Y304-R384 VanDerWaalsContact OH-CZ 3.24Å; Y304-R384 PolarHBondContact OH-NH1 3.05Å; Y304-R384 VanDerWaalsContact OH-NH1 3.08Å | ||
| 305 | P | 83.1 | Confident | 86.4 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 5% | 0.045 | 33% | 0.33 | C | S | . | . | trans | -67.8 | 138.2 | -173.2 | 30.4 | -39.6 | 0 | 0 | 0 | 110.6 | S303 E310 M311 R384 | S303-P305 WeakPolarHBondContact O-CD 3.25Å; P305-E310 HydrophobicContact CB-CB 3.59Å; P305-M311 HydrophobicContact CB-CB 4.3Å; P305-M311 HydrophobicContact CB-CG 3.63Å; P305-M311 HydrophobicContact CG-CB 4.35Å; P305-M311 HydrophobicContact CG-CG 3.62Å; P305-R384 PolarHBondContact O-NH2 2.89Å | ||
| 306 | S | 83.6 | Confident | 86.3 | Confident | 90 Ų | 90 | 64.8 Ų | 64.8 | 63% | 0.629 | 34% | 0.338 | S | S | * | . | trans | -114.2 | -24.9 | -175.1 | 68 | 0 | 0 | 0 | 0 | 112.8 | E310 | S306-E310 PolarHBondContact N-OE2 3.41Å; S306-E310 PolarHBondContact OG-OE2 2.98Å | ||
| 307 | T | 87.5 | Confident | 86.2 | Confident | 61 Ų | 61 | 60.5 Ų | 60.5 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -106.4 | 155.9 | 176.3 | 71.2 | 0 | 0 | 0 | 0 | 111.6 | V309 E310 M311 | T307-V309 PolarHBondContact O-N 3.41Å; T307-E310 PolarHBondContact N-OE2 3.35Å; T307-E310 VanDerWaalsContact N-OE2 3.14Å; T307-E310 PolarHBondContact O-N 3.42Å; T307-E310 WeakPolarHBondContact OG1-CB 3.29Å; T307-E310 WeakPolarHBondContact OG1-CG 3.45Å; T307-E310 PolarHBondContact OG1-N 3.19Å; T307-E310 PolarHBondContact OG1-OE1 3.37Å; T307-M311 WeakPolarHBondContact O-CG 3.27Å; T307-M311 PolarHBondContact O-N 3.47Å |
| 308 | T | 87.1 | Confident | 86.1 | Confident | 14 Ų | 14 | 60.8 Ų | 60.8 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.2 | -34.4 | 176.8 | -52.3 | 0 | 0 | 0 | 0 | 112.1 | A312 F385 S388 L389 D392 | T308-A312 PolarHBondContact O-N 3.24Å; T308-F385 HydrophobicContact CG2-CD2 3.97Å; T308-F385 HydrophobicContact CG2-CE2 3.57Å; T308-F385 HydrophobicContact CG2-CZ 4.5Å; T308-F385 VanDerWaalsContact O-CE2 3.31Å; T308-F385 WeakPolarHBondContact O-CE2 3.07Å; T308-S388 WeakPolarHBondContact OG1-CB 3.43Å; T308-S388 PolarHBondContact OG1-OG 3.46Å; T308-L389 HydrophobicContact CG2-CB 4.12Å; T308-L389 HydrophobicContact CG2-CD1 3.95Å; T308-D392 VanDerWaalsContact CB-OD2 3.28Å; T308-D392 WeakPolarHBondContact CB-OD2 3.38Å; T308-D392 PolarHBondContact OG1-OD2 3.13Å |
| 309 | V | 88.2 | Confident | 85.8 | Confident | 94 Ų | 94 | 64.2 Ų | 64.2 | 57% | 0.57 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -70.3 | -47.6 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | T307 M311 A312 E313 | T307-V309 PolarHBondContact O-N 3.41Å; V309-M311 VanDerWaalsContact C-N 3.26Å; V309-M311 PolarHBondContact O-N 2.86Å; V309-A312 PolarHBondContact O-N 3.01Å; V309-A312 VanDerWaalsContact O-N 3.13Å; V309-E313 HydrophobicContact CG1-CG 4.37Å; V309-E313 WeakPolarHBondContact O-CG 3.29Å; V309-E313 PolarHBondContact O-N 2.88Å |
| 310 | E | 87.2 | Confident | 85.5 | Confident | 79 Ų | 79 | 66.2 Ų | 66.2 | 37% | 0.369 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.8 | -38.7 | 176.9 | -72.8 | 161.3 | -162.3 | 0 | 0 | 111.7 | P305 S306 T307 E313 Q314 | P305-E310 HydrophobicContact CB-CB 3.59Å; S306-E310 PolarHBondContact N-OE2 3.41Å; S306-E310 PolarHBondContact OG-OE2 2.98Å; T307-E310 PolarHBondContact N-OE2 3.35Å; T307-E310 VanDerWaalsContact N-OE2 3.14Å; T307-E310 PolarHBondContact O-N 3.42Å; T307-E310 WeakPolarHBondContact OG1-CB 3.29Å; T307-E310 WeakPolarHBondContact OG1-CG 3.45Å; T307-E310 PolarHBondContact OG1-N 3.19Å; T307-E310 PolarHBondContact OG1-OE1 3.37Å; E310-E313 PolarHBondContact O-N 3.12Å; E310-Q314 PolarHBondContact O-N 3.49Å |
| 311 | M | 84.9 | Confident | 85.3 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 176.3 | -69.8 | 179.8 | -162 | 0 | 0 | 111.9 | P305 T307 V309 L315 R384 F385 | P305-M311 HydrophobicContact CB-CB 4.3Å; P305-M311 HydrophobicContact CB-CG 3.63Å; P305-M311 HydrophobicContact CG-CB 4.35Å; P305-M311 HydrophobicContact CG-CG 3.62Å; T307-M311 WeakPolarHBondContact O-CG 3.27Å; T307-M311 PolarHBondContact O-N 3.47Å; V309-M311 VanDerWaalsContact C-N 3.26Å; V309-M311 PolarHBondContact O-N 2.86Å; M311-L315 WeakPolarHBondContact O-CG 3.39Å; M311-L315 PolarHBondContact O-N 3.31Å; M311-R384 HydrophobicContact SD-CB 4.36Å; M311-F385 HydrophobicContact CB-CB 4.2Å; M311-F385 HydrophobicContact CB-CD2 3.83Å; M311-F385 HydrophobicContact CB-CG 4.45Å; M311-F385 HydrophobicContact SD-CB 4.4Å |
| 312 | A | 86.9 | Confident | 84.8 | Confident | 28 Ų | 28 | 65.7 Ų | 65.7 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.4 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | T308 V309 Q314 L315 I316 F385 | T308-A312 PolarHBondContact O-N 3.24Å; V309-A312 PolarHBondContact O-N 3.01Å; V309-A312 VanDerWaalsContact O-N 3.13Å; A312-Q314 VanDerWaalsContact C-N 3.33Å; A312-Q314 PolarHBondContact O-N 3.29Å; A312-L315 PolarHBondContact O-N 3.12Å; A312-I316 VanDerWaalsContact O-CG1 3.28Å; A312-I316 WeakPolarHBondContact O-CG1 3.26Å; A312-I316 PolarHBondContact O-N 2.73Å; A312-F385 HydrophobicContact CB-CD2 4.43Å; A312-F385 HydrophobicContact CB-CE2 3.74Å; A312-F385 HydrophobicContact CB-CZ 4.12Å |
| 313 | E | 87.9 | Confident | 84.3 | Confident | 123 Ų | 123 | 66.4 Ų | 66.4 | 58% | 0.575 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.2 | -39.4 | 178.3 | -73.1 | 177 | 173.6 | 0 | 0 | 112.2 | V309 E310 F317 | V309-E313 HydrophobicContact CG1-CG 4.37Å; V309-E313 WeakPolarHBondContact O-CG 3.29Å; V309-E313 PolarHBondContact O-N 2.88Å; E310-E313 PolarHBondContact O-N 3.12Å; E313-F317 WeakPolarHBondContact O-CB 3.42Å; E313-F317 PolarHBondContact O-N 3.31Å |
| 314 | Q | 86.1 | Confident | 84 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 13% | 0.131 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.1 | -40.3 | 176.6 | -168.7 | 178.6 | 27.4 | 0 | 0 | 112.4 | L301 S303 E310 A312 F317 L318 | L301-Q314 PolarHBondContact O-NE2 2.93Å; S303-Q314 PolarHBondContact O-NE2 3.49Å; E310-Q314 PolarHBondContact O-N 3.49Å; A312-Q314 VanDerWaalsContact C-N 3.33Å; A312-Q314 PolarHBondContact O-N 3.29Å; Q314-F317 PolarHBondContact O-N 2.92Å; Q314-L318 WeakPolarHBondContact O-CG 3.3Å; Q314-L318 PolarHBondContact O-N 2.97Å |
| 315 | L | 85.8 | Confident | 84.1 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 176.7 | -73.1 | 168.9 | 0 | 0 | 0 | 112 | M311 A312 F317 L318 D319 R378 M382 F385 | M311-L315 WeakPolarHBondContact O-CG 3.39Å; M311-L315 PolarHBondContact O-N 3.31Å; A312-L315 PolarHBondContact O-N 3.12Å; L315-F317 VanDerWaalsContact C-N 3.33Å; L315-L318 PolarHBondContact O-N 3.3Å; L315-D319 PolarHBondContact O-N 3.33Å; L315-R378 HydrophobicContact CD2-CG 3.96Å; L315-M382 HydrophobicContact CD1-CE 3.86Å; L315-M382 HydrophobicContact CD1-SD 4.17Å; L315-M382 HydrophobicContact CD2-CE 4.43Å; L315-F385 HydrophobicContact CD1-CB 4.25Å; L315-F385 HydrophobicContact CD1-CG 4.38Å |
| 316 | I | 87.6 | Confident | 84.2 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 174.1 | -68.1 | 164.4 | 0 | 0 | 0 | 110.2 | A312 L318 D319 E320 | A312-I316 VanDerWaalsContact O-CG1 3.28Å; A312-I316 WeakPolarHBondContact O-CG1 3.26Å; A312-I316 PolarHBondContact O-N 2.73Å; I316-L318 VanDerWaalsContact C-N 3.33Å; I316-L318 PolarHBondContact O-N 2.93Å; I316-D319 PolarHBondContact O-N 3.38Å; I316-E320 HydrophobicContact CG2-CG 4.47Å; I316-E320 WeakPolarHBondContact O-CG 3.33Å; I316-E320 PolarHBondContact O-N 2.98Å |
| 317 | F | 87.6 | Confident | 84.3 | Confident | 23 Ų | 23 | 62 Ų | 62 | 10% | 0.101 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 177.4 | 174.6 | -96.3 | 0 | 0 | 0 | 112.4 | A297 K300 L301 E313 Q314 L315 E320 F321 | A297-F317 HydrophobicContact CB-CZ 3.95Å; K300-F317 HydrophobicContact CB-CD1 4.33Å; K300-F317 HydrophobicContact CB-CE1 4.17Å; K300-F317 HydrophobicContact CB-CZ 4.38Å; K300-F317 HydrophobicContact CD-CD2 3.88Å; K300-F317 HydrophobicContact CD-CE2 3.84Å; K300-F317 HydrophobicContact CD-CG 4.29Å; K300-F317 HydrophobicContact CD-CZ 4.24Å; L301-F317 HydrophobicContact CD1-CE1 4.46Å; L301-F317 HydrophobicContact CD2-CD1 4.15Å; L301-F317 HydrophobicContact CD2-CE1 3.84Å; L301-F317 HydrophobicContact CG-CE1 3.85Å; E313-F317 WeakPolarHBondContact O-CB 3.42Å; E313-F317 PolarHBondContact O-N 3.31Å; Q314-F317 PolarHBondContact O-N 2.92Å; L315-F317 VanDerWaalsContact C-N 3.33Å; F317-E320 PolarHBondContact O-N 3.47Å; F317-F321 HydrophobicContact CD1-CB 4.45Å; F317-F321 HydrophobicContact CD2-CD2 4.48Å; F317-F321 HydrophobicContact CE1-CB 3.99Å; F317-F321 HydrophobicContact CE1-CD2 4.25Å; F317-F321 HydrophobicContact CE1-CG 4.08Å; F317-F321 HydrophobicContact CE2-CB 4.16Å; F317-F321 AromaticContact CE2-CD2 3.45Å; F317-F321 HydrophobicContact CE2-CD2 3.45Å; F317-F321 VanDerWaalsContact CE2-CD2 3.45Å; F317-F321 HydrophobicContact CE2-CE2 4.16Å; F317-F321 HydrophobicContact CE2-CG 4.05Å; F317-F321 HydrophobicContact CZ-CB 3.84Å; F317-F321 HydrophobicContact CZ-CD1 4.38Å; F317-F321 AromaticContact CZ-CD2 3.3Å; F317-F321 HydrophobicContact CZ-CD2 3.3Å; F317-F321 AromaticContact CZ-CE2 3.91Å; F317-F321 HydrophobicContact CZ-CE2 3.91Å; F317-F321 AromaticContact CZ-CG 3.57Å; F317-F321 HydrophobicContact CZ-CG 3.57Å; F317-F321 WeakPolarHBondContact O-CB 3.49Å; F317-F321 PolarHBondContact O-N 2.91Å |
| 318 | L | 85.6 | Confident | 84.4 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 177.4 | -83.8 | 165.3 | 0 | 0 | 0 | 111.9 | L301 Q314 L315 I316 E320 F321 E322 A374 | L301-L318 HydrophobicContact CD2-CD2 3.48Å; L301-L318 VanDerWaalsContact CD2-CD2 3.48Å; L301-L318 HydrophobicContact CD2-CG 4.17Å; Q314-L318 WeakPolarHBondContact O-CG 3.3Å; Q314-L318 PolarHBondContact O-N 2.97Å; L315-L318 PolarHBondContact O-N 3.3Å; I316-L318 VanDerWaalsContact C-N 3.33Å; I316-L318 PolarHBondContact O-N 2.93Å; L318-E320 PolarHBondContact O-N 3.2Å; L318-F321 PolarHBondContact O-N 2.94Å; L318-E322 WeakPolarHBondContact O-CB 3.46Å; L318-E322 PolarHBondContact O-N 2.88Å; L318-A374 HydrophobicContact CD1-CB 4.17Å; L318-A374 HydrophobicContact CD2-CB 3.6Å |
| 319 | D | 82.6 | Confident | 84.4 | Confident | 86 Ų | 86 | 60.8 Ų | 60.8 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 177.7 | -79.1 | -6.4 | 0 | 0 | 0 | 111.4 | L315 I316 R378 | L315-D319 PolarHBondContact O-N 3.33Å; I316-D319 PolarHBondContact O-N 3.38Å; D319-R378 IonicContact OD1-NH1 3.08Å; D319-R378 PolarHBondContact OD1-NH1 2.84Å; D319-R378 VanDerWaalsContact OD1-NH1 3.08Å |
| 320 | E | 83.8 | Confident | 84.4 | Confident | 133 Ų | 133 | 61.9 Ų | 61.9 | 62% | 0.621 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -69.5 | -36.8 | 177.8 | -72.1 | 179.4 | 172.6 | 0 | 0 | 113.3 | I316 F317 L318 G324 | I316-E320 HydrophobicContact CG2-CG 4.47Å; I316-E320 WeakPolarHBondContact O-CG 3.33Å; I316-E320 PolarHBondContact O-N 2.98Å; F317-E320 PolarHBondContact O-N 3.47Å; L318-E320 PolarHBondContact O-N 3.2Å; E320-G324 PolarHBondContact O-N 3.48Å; E320-G324 VanDerWaalsContact O-N 3.16Å |
| 321 | F | 80.9 | Confident | 84.5 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 9% | 0.088 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -85.8 | -21.6 | -173.3 | -150.2 | -86.5 | 0 | 0 | 0 | 112.8 | A297 F317 L318 D323 G324 I325 V328 L367 I371 | A297-F321 HydrophobicContact CB-CD2 4.31Å; A297-F321 HydrophobicContact CB-CE1 3.9Å; A297-F321 HydrophobicContact CB-CE2 3.52Å; A297-F321 HydrophobicContact CB-CZ 3.28Å; F317-F321 HydrophobicContact CD1-CB 4.45Å; F317-F321 HydrophobicContact CD2-CD2 4.48Å; F317-F321 HydrophobicContact CE1-CB 3.99Å; F317-F321 HydrophobicContact CE1-CD2 4.25Å; F317-F321 HydrophobicContact CE1-CG 4.08Å; F317-F321 HydrophobicContact CE2-CB 4.16Å; F317-F321 AromaticContact CE2-CD2 3.45Å; F317-F321 HydrophobicContact CE2-CD2 3.45Å; F317-F321 VanDerWaalsContact CE2-CD2 3.45Å; F317-F321 HydrophobicContact CE2-CE2 4.16Å; F317-F321 HydrophobicContact CE2-CG 4.05Å; F317-F321 HydrophobicContact CZ-CB 3.84Å; F317-F321 HydrophobicContact CZ-CD1 4.38Å; F317-F321 AromaticContact CZ-CD2 3.3Å; F317-F321 HydrophobicContact CZ-CD2 3.3Å; F317-F321 AromaticContact CZ-CE2 3.91Å; F317-F321 HydrophobicContact CZ-CE2 3.91Å; F317-F321 AromaticContact CZ-CG 3.57Å; F317-F321 HydrophobicContact CZ-CG 3.57Å; F317-F321 WeakPolarHBondContact O-CB 3.49Å; F317-F321 PolarHBondContact O-N 2.91Å; L318-F321 PolarHBondContact O-N 2.94Å; F321-D323 VanDerWaalsContact C-N 3.29Å; F321-G324 PolarHBondContact O-N 2.92Å; F321-I325 PolarHBondContact O-N 2.78Å; F321-I325 VanDerWaalsContact O-N 3.08Å; F321-V328 HydrophobicContact CZ-CG2 4.2Å; F321-L367 HydrophobicContact CE1-CD1 4.17Å; F321-L367 HydrophobicContact CE1-CD2 3.75Å; F321-L367 HydrophobicContact CE1-CG 4.18Å; F321-L367 HydrophobicContact CZ-CD2 3.97Å; F321-I371 HydrophobicContact CD1-CD1 3.61Å; F321-I371 HydrophobicContact CD1-CG1 4.47Å; F321-I371 HydrophobicContact CE1-CD1 3.89Å |
| 322 | E | 75.1 | Confident | 84.7 | Confident | 95 Ų | 95 | 62 Ų | 62 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -60.7 | -39.1 | 169.3 | -166.3 | 173 | -172.9 | 0 | 0 | 111.1 | L318 I325 | L318-E322 WeakPolarHBondContact O-CB 3.46Å; L318-E322 PolarHBondContact O-N 2.88Å; E322-I325 WeakPolarHBondContact O-CG2 3.46Å |
| 323 | D | 74.6 | Confident | 84.9 | Confident | 134 Ų | 134 | 64.1 Ų | 64.1 | 72% | 0.717 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -76.2 | -37.6 | 172 | -76.2 | -23.8 | 0 | 0 | 0 | 112.2 | F321 I325 | F321-D323 VanDerWaalsContact C-N 3.29Å; D323-I325 VanDerWaalsContact C-N 3.33Å; D323-I325 PolarHBondContact O-N 3.16Å |
| 324 | G | 77.8 | Confident | 84.9 | Confident | 16 Ų | 16 | 61 Ų | 61 | 17% | 0.165 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -76.5 | -7.5 | -175 | 0 | 0 | 0 | 0 | 0 | 116.3 | E320 F321 D327 V328 | E320-G324 PolarHBondContact O-N 3.48Å; E320-G324 VanDerWaalsContact O-N 3.16Å; F321-G324 PolarHBondContact O-N 2.92Å; G324-D327 WeakPolarHBondContact O-CB 3.4Å; G324-D327 PolarHBondContact O-N 2.95Å; G324-V328 PolarHBondContact O-N 2.96Å |
| 325 | I | 82.4 | Confident | 85.1 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.082 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73.7 | -28.7 | -178.3 | -165.4 | 145.4 | 0 | 0 | 0 | 113.5 | F321 E322 D323 D327 V328 Q329 L367 Y368 I371 | F321-I325 PolarHBondContact O-N 2.78Å; F321-I325 VanDerWaalsContact O-N 3.08Å; E322-I325 WeakPolarHBondContact O-CG2 3.46Å; D323-I325 VanDerWaalsContact C-N 3.33Å; D323-I325 PolarHBondContact O-N 3.16Å; I325-D327 VanDerWaalsContact C-N 3.26Å; I325-D327 PolarHBondContact O-N 3.03Å; I325-V328 WeakPolarHBondContact O-CB 3.35Å; I325-V328 PolarHBondContact O-N 3.3Å; I325-Q329 PolarHBondContact O-N 3.47Å; I325-L367 HydrophobicContact CD1-CG 4.49Å; I325-Y368 HydrophobicContact CB-CE1 4.43Å; I325-Y368 HydrophobicContact CD1-CD1 3.38Å; I325-Y368 HydrophobicContact CD1-CD2 4.28Å; I325-Y368 HydrophobicContact CD1-CE1 3.34Å; I325-Y368 HydrophobicContact CD1-CE2 4.23Å; I325-Y368 HydrophobicContact CD1-CG 3.87Å; I325-Y368 HydrophobicContact CG1-CD1 4.03Å; I325-Y368 HydrophobicContact CG1-CE1 3.42Å; I325-Y368 VanDerWaalsContact CG1-CE1 3.42Å; I325-Y368 HydrophobicContact CG1-CE2 4.29Å; I325-Y368 HydrophobicContact CG2-CE1 4.16Å; I325-I371 HydrophobicContact CD1-CD1 3.25Å; I325-I371 HydrophobicContact CG1-CD1 4.49Å |
| 326 | L | 84.1 | Confident | 85.3 | Confident | 126 Ų | 126 | 60 Ų | 60 | 66% | 0.66 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.4 | -38.5 | 172.8 | -67.6 | 177.5 | 0 | 0 | 0 | 110.9 | V328 Q329 E330 | L326-V328 VanDerWaalsContact C-N 3.34Å; L326-V328 PolarHBondContact O-N 3.45Å; L326-Q329 PolarHBondContact O-N 2.86Å; L326-E330 PolarHBondContact O-N 3.35Å |
| 327 | D | 87 | Confident | 85.5 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 175.9 | -65.5 | -6.6 | 0 | 0 | 0 | 111.8 | G324 I325 Q329 E330 Q331 | G324-D327 WeakPolarHBondContact O-CB 3.4Å; G324-D327 PolarHBondContact O-N 2.95Å; I325-D327 VanDerWaalsContact C-N 3.26Å; I325-D327 PolarHBondContact O-N 3.03Å; D327-Q329 VanDerWaalsContact C-N 3.33Å; D327-E330 PolarHBondContact O-N 3.07Å; D327-Q331 WeakPolarHBondContact O-CB 3.5Å; D327-Q331 VanDerWaalsContact O-CG 3.23Å; D327-Q331 WeakPolarHBondContact O-CG 3.49Å; D327-Q331 PolarHBondContact O-N 3.03Å |
| 328 | V | 88.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.2 | -42 | 176 | 175.4 | 0 | 0 | 0 | 0 | 110.4 | L290 K293 V294 F321 G324 I325 L326 Q331 H332 I364 | L290-V328 HydrophobicContact CD1-CG1 3.9Å; K293-V328 HydrophobicContact CD-CG2 4.14Å; V294-V328 HydrophobicContact CG2-CG1 3.85Å; F321-V328 HydrophobicContact CZ-CG2 4.2Å; G324-V328 PolarHBondContact O-N 2.96Å; I325-V328 WeakPolarHBondContact O-CB 3.35Å; I325-V328 PolarHBondContact O-N 3.3Å; L326-V328 VanDerWaalsContact C-N 3.34Å; L326-V328 PolarHBondContact O-N 3.45Å; V328-Q331 PolarHBondContact O-N 3.49Å; V328-H332 WeakPolarHBondContact O-CB 3.4Å; V328-H332 PolarHBondContact O-N 3.43Å; V328-I364 HydrophobicContact CG1-CD1 4.48Å; V328-I364 HydrophobicContact CG1-CG1 4.25Å |
| 329 | Q | 87.3 | Confident | 85.8 | Confident | 48 Ų | 48 | 60 Ų | 60 | 22% | 0.224 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 176.6 | -170.6 | 62.1 | 38.8 | 0 | 0 | 111.9 | I325 L326 D327 Q331 H332 D333 Y368 | I325-Q329 PolarHBondContact O-N 3.47Å; L326-Q329 PolarHBondContact O-N 2.86Å; D327-Q329 VanDerWaalsContact C-N 3.33Å; Q329-Q331 VanDerWaalsContact C-N 3.33Å; Q329-Q331 PolarHBondContact O-N 3.42Å; Q329-H332 WeakPolarHBondContact O-CB 3.44Å; Q329-H332 PolarHBondContact O-N 3.21Å; Q329-D333 PolarHBondContact NE2-OD1 3.37Å; Q329-D333 PolarHBondContact O-N 3.41Å; Q329-Y368 PolarHBondContact OE1-OH 3.31Å |
| 330 | E | 88.8 | Confident | 86.1 | Confident | 118 Ų | 118 | 60.7 Ų | 60.7 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.4 | -42.6 | 176.7 | -174.4 | -179 | 178.7 | 0 | 0 | 111.4 | L326 D327 D333 N334 | L326-E330 PolarHBondContact O-N 3.35Å; D327-E330 PolarHBondContact O-N 3.07Å; E330-D333 PolarHBondContact O-N 2.93Å; E330-N334 WeakPolarHBondContact O-CB 3.21Å; E330-N334 VanDerWaalsContact O-CG 3.27Å; E330-N334 PolarHBondContact O-N 2.86Å; E330-N334 PolarHBondContact O-ND2 2.64Å |
| 331 | Q | 88.6 | Confident | 86.4 | Confident | 86 Ų | 86 | 55.6 Ų | 55.6 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 174.8 | -74.8 | 177.8 | -6.6 | 0 | 0 | 111.4 | L290 D327 V328 Q329 D333 N334 V335 | L290-Q331 HydrophobicContact CD1-CB 4.05Å; D327-Q331 WeakPolarHBondContact O-CB 3.5Å; D327-Q331 VanDerWaalsContact O-CG 3.23Å; D327-Q331 WeakPolarHBondContact O-CG 3.49Å; D327-Q331 PolarHBondContact O-N 3.03Å; V328-Q331 PolarHBondContact O-N 3.49Å; Q329-Q331 VanDerWaalsContact C-N 3.33Å; Q329-Q331 PolarHBondContact O-N 3.42Å; Q331-D333 PolarHBondContact O-N 3.31Å; Q331-N334 PolarHBondContact O-N 3.21Å; Q331-V335 VanDerWaalsContact O-CG2 3.28Å; Q331-V335 WeakPolarHBondContact O-CG2 3.35Å; Q331-V335 PolarHBondContact O-N 3.03Å |
| 332 | H | 90.3 | Very high | 86.8 | Confident | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 175.3 | 176.5 | -92.8 | 0 | 0 | 0 | 112.8 | L290 V328 Q329 N334 V335 S336 Q361 I364 | L290-H332 HydrophobicContact CD2-CB 3.93Å; V328-H332 WeakPolarHBondContact O-CB 3.4Å; V328-H332 PolarHBondContact O-N 3.43Å; Q329-H332 WeakPolarHBondContact O-CB 3.44Å; Q329-H332 PolarHBondContact O-N 3.21Å; H332-N334 VanDerWaalsContact C-N 3.3Å; H332-N334 PolarHBondContact O-N 3.39Å; H332-V335 PolarHBondContact O-N 3.42Å; H332-S336 PolarHBondContact CE1-OG 2.97Å; H332-S336 WeakPolarHBondContact O-CB 3.44Å; H332-S336 PolarHBondContact O-N 3.47Å; H332-S336 PolarHBondContact O-OG 2.75Å; H332-Q361 PolarHBondContact CE1-OE1 3.4Å; H332-Q361 PolarHBondContact NE2-OE1 3.43Å; H332-I364 HydrophobicContact CB-CD1 3.65Å; H332-I364 VanDerWaalsContact CD2-CD1 3.45Å; H332-I364 WeakPolarHBondContact CD2-CD1 3.15Å |
| 333 | D | 90.1 | Very high | 87.4 | Confident | 73 Ų | 73 | 58.9 Ų | 58.9 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 177.8 | -72.4 | -5 | 0 | 0 | 0 | 111.1 | Q329 E330 Q331 S336 K337 | Q329-D333 PolarHBondContact NE2-OD1 3.37Å; Q329-D333 PolarHBondContact O-N 3.41Å; E330-D333 PolarHBondContact O-N 2.93Å; Q331-D333 PolarHBondContact O-N 3.31Å; D333-S336 WeakPolarHBondContact O-CB 3.36Å; D333-S336 PolarHBondContact O-N 2.92Å; D333-K337 VanDerWaalsContact O-CG 3.31Å; D333-K337 WeakPolarHBondContact O-CG 3.48Å; D333-K337 PolarHBondContact O-N 3.46Å |
| 334 | N | 88.8 | Confident | 88 | Confident | 56 Ų | 56 | 55.9 Ų | 55.9 | 30% | 0.299 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 174.5 | -71.6 | -26.1 | 0 | 0 | 0 | 112.1 | E330 Q331 H332 S336 K337 V338 | E330-N334 WeakPolarHBondContact O-CB 3.21Å; E330-N334 VanDerWaalsContact O-CG 3.27Å; E330-N334 PolarHBondContact O-N 2.86Å; E330-N334 PolarHBondContact O-ND2 2.64Å; Q331-N334 PolarHBondContact O-N 3.21Å; H332-N334 VanDerWaalsContact C-N 3.3Å; H332-N334 PolarHBondContact O-N 3.39Å; N334-S336 VanDerWaalsContact C-N 3.3Å; N334-S336 PolarHBondContact O-N 2.95Å; N334-K337 WeakPolarHBondContact O-CB 3.44Å; N334-K337 PolarHBondContact O-N 2.69Å; N334-K337 PolarHBondContact OD1-NZ 2.9Å; N334-V338 PolarHBondContact O-N 2.95Å |
| 335 | V | 90.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 172.2 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | Q286 V287 Q331 H332 K337 V338 Y339 F357 | Q286-V335 HydrophobicContact CB-CG2 3.72Å; V287-V335 HydrophobicContact CG2-CG1 3.56Å; Q331-V335 VanDerWaalsContact O-CG2 3.28Å; Q331-V335 WeakPolarHBondContact O-CG2 3.35Å; Q331-V335 PolarHBondContact O-N 3.03Å; H332-V335 PolarHBondContact O-N 3.42Å; V335-K337 VanDerWaalsContact C-N 3.3Å; V335-K337 PolarHBondContact O-N 3.17Å; V335-V338 WeakPolarHBondContact O-CA 3.43Å; V335-V338 VanDerWaalsContact O-CB 3.3Å; V335-V338 WeakPolarHBondContact O-CB 3.41Å; V335-V338 PolarHBondContact O-N 3.27Å; V335-Y339 HydrophobicContact CG1-CD2 3.94Å; V335-Y339 HydrophobicContact CG1-CE2 3.87Å; V335-Y339 WeakPolarHBondContact O-CD2 3.16Å; V335-Y339 PolarHBondContact O-N 3.45Å; V335-F357 HydrophobicContact CB-CE2 4.44Å; V335-F357 HydrophobicContact CG1-CD2 3.67Å; V335-F357 HydrophobicContact CG1-CE2 3.76Å |
| 336 | S | 90.4 | Very high | 88.6 | Confident | 26 Ų | 26 | 61.8 Ų | 61.8 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.4 | -38.6 | 177.1 | -65 | 0 | 0 | 0 | 0 | 112.3 | H332 D333 N334 V338 Y339 N340 | H332-S336 PolarHBondContact CE1-OG 2.97Å; H332-S336 WeakPolarHBondContact O-CB 3.44Å; H332-S336 PolarHBondContact O-N 3.47Å; H332-S336 PolarHBondContact O-OG 2.75Å; D333-S336 WeakPolarHBondContact O-CB 3.36Å; D333-S336 PolarHBondContact O-N 2.92Å; N334-S336 VanDerWaalsContact C-N 3.3Å; N334-S336 PolarHBondContact O-N 2.95Å; S336-V338 VanDerWaalsContact C-N 3.31Å; S336-V338 PolarHBondContact O-N 3.43Å; S336-Y339 PolarHBondContact O-N 3.34Å; S336-N340 VanDerWaalsContact O-CG 3.26Å; S336-N340 PolarHBondContact O-N 3.46Å; S336-N340 PolarHBondContact O-ND2 3.34Å |
| 337 | K | 90.3 | Very high | 88.7 | Confident | 104 Ų | 104 | 56.3 Ų | 56.3 | 45% | 0.452 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -36.6 | 173.2 | -66 | 165.3 | -164.4 | 160.4 | 0 | 111.8 | L224 D333 N334 V335 N340 L341 | L224-K337 HydrophobicContact CD2-CB 3.44Å; L224-K337 VanDerWaalsContact CD2-CB 3.44Å; L224-K337 HydrophobicContact CD2-CD 4.27Å; L224-K337 HydrophobicContact CD2-CG 4.49Å; D333-K337 VanDerWaalsContact O-CG 3.31Å; D333-K337 WeakPolarHBondContact O-CG 3.48Å; D333-K337 PolarHBondContact O-N 3.46Å; N334-K337 WeakPolarHBondContact O-CB 3.44Å; N334-K337 PolarHBondContact O-N 2.69Å; N334-K337 PolarHBondContact OD1-NZ 2.9Å; V335-K337 VanDerWaalsContact C-N 3.3Å; V335-K337 PolarHBondContact O-N 3.17Å; K337-N340 WeakPolarHBondContact O-CB 3.47Å; K337-N340 PolarHBondContact O-N 3.29Å; K337-L341 PolarHBondContact O-N 3.46Å; K337-L341 VanDerWaalsContact O-N 3.14Å |
| 338 | V | 89.4 | Confident | 88.7 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.5 | -48 | 174.3 | -180 | 0 | 0 | 0 | 0 | 111.1 | L224 L279 A283 N334 V335 S336 N340 L341 F342 | L224-V338 HydrophobicContact CD1-CB 4.32Å; L224-V338 HydrophobicContact CD1-CG2 3.53Å; L224-V338 HydrophobicContact CD2-CG2 4.38Å; L279-V338 HydrophobicContact CD1-CG1 3.82Å; L279-V338 HydrophobicContact CG-CG1 4.14Å; A283-V338 HydrophobicContact CB-CG1 3.7Å; N334-V338 PolarHBondContact O-N 2.95Å; V335-V338 WeakPolarHBondContact O-CA 3.43Å; V335-V338 VanDerWaalsContact O-CB 3.3Å; V335-V338 WeakPolarHBondContact O-CB 3.41Å; V335-V338 PolarHBondContact O-N 3.27Å; S336-V338 VanDerWaalsContact C-N 3.31Å; S336-V338 PolarHBondContact O-N 3.43Å; V338-N340 VanDerWaalsContact C-N 3.28Å; V338-N340 PolarHBondContact O-N 2.97Å; V338-L341 WeakPolarHBondContact O-CA 3.42Å; V338-L341 WeakPolarHBondContact O-CB 3.48Å; V338-L341 PolarHBondContact O-N 2.92Å; V338-F342 HydrophobicContact CG1-CE1 4.49Å; V338-F342 HydrophobicContact CG1-CE2 4.02Å; V338-F342 HydrophobicContact CG1-CZ 3.89Å; V338-F342 PolarHBondContact O-N 3.26Å; V338-F342 VanDerWaalsContact O-N 3.15Å |
| 339 | Y | 90.2 | Very high | 88.6 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 8% | 0.078 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.8 | -29 | 178.2 | -81.7 | -103.4 | 0 | 0 | 0 | 112.9 | A283 V287 V335 S336 L341 F342 K343 V349 D353 L354 F357 | A283-Y339 HydrophobicContact CB-CE2 4.09Å; V287-Y339 HydrophobicContact CG2-CE2 3.95Å; V335-Y339 HydrophobicContact CG1-CD2 3.94Å; V335-Y339 HydrophobicContact CG1-CE2 3.87Å; V335-Y339 WeakPolarHBondContact O-CD2 3.16Å; V335-Y339 PolarHBondContact O-N 3.45Å; S336-Y339 PolarHBondContact O-N 3.34Å; Y339-L341 VanDerWaalsContact C-N 3.33Å; Y339-F342 AromaticContact CD1-CD2 3.91Å; Y339-F342 HydrophobicContact CD1-CD2 3.91Å; Y339-F342 HydrophobicContact CD1-CE2 4.31Å; Y339-F342 HydrophobicContact CD2-CD2 4.43Å; Y339-F342 HydrophobicContact CD2-CE2 4.29Å; Y339-F342 HydrophobicContact CE1-CD2 4.31Å; Y339-F342 HydrophobicContact CE1-CE2 4.36Å; Y339-F342 HydrophobicContact CE2-CE2 4.32Å; Y339-F342 AromaticContact CG-CD2 3.98Å; Y339-F342 HydrophobicContact CG-CD2 3.98Å; Y339-F342 HydrophobicContact CG-CE2 4.28Å; Y339-F342 WeakPolarHBondContact O-CB 3.49Å; Y339-F342 PolarHBondContact O-N 3.46Å; Y339-K343 PolarHBondContact O-N 3.14Å; Y339-K343 VanDerWaalsContact O-N 3.13Å; Y339-V349 HydrophobicContact CE1-CG1 4.35Å; Y339-D353 PolarHBondContact OH-O 2.97Å; Y339-L354 HydrophobicContact CD1-CD2 4.1Å; Y339-L354 HydrophobicContact CE1-CD2 3.9Å; Y339-F357 HydrophobicContact CD1-CB 4.4Å; Y339-F357 AromaticContact CD1-CD1 3.77Å; Y339-F357 HydrophobicContact CD1-CD1 3.77Å; Y339-F357 HydrophobicContact CD1-CE1 4.2Å; Y339-F357 AromaticContact CD1-CG 4Å; Y339-F357 HydrophobicContact CD1-CG 4Å; Y339-F357 HydrophobicContact CD2-CD1 4.29Å; Y339-F357 AromaticContact CD2-CD2 3.73Å; Y339-F357 HydrophobicContact CD2-CD2 3.73Å; Y339-F357 HydrophobicContact CD2-CE1 4.47Å; Y339-F357 AromaticContact CD2-CE2 3.95Å; Y339-F357 HydrophobicContact CD2-CE2 3.95Å; Y339-F357 AromaticContact CD2-CG 3.93Å; Y339-F357 HydrophobicContact CD2-CG 3.93Å; Y339-F357 HydrophobicContact CD2-CZ 4.31Å; Y339-F357 HydrophobicContact CE1-CB 3.73Å; Y339-F357 AromaticContact CE1-CD1 3.97Å; Y339-F357 HydrophobicContact CE1-CD1 3.97Å; Y339-F357 AromaticContact CE1-CG 3.82Å; Y339-F357 HydrophobicContact CE1-CG 3.82Å; Y339-F357 HydrophobicContact CE2-CB 3.94Å; Y339-F357 HydrophobicContact CE2-CD1 4.48Å; Y339-F357 AromaticContact CE2-CD2 3.69Å; Y339-F357 HydrophobicContact CE2-CD2 3.69Å; Y339-F357 HydrophobicContact CE2-CE2 4.37Å; Y339-F357 AromaticContact CE2-CG 3.77Å; Y339-F357 HydrophobicContact CE2-CG 3.77Å; Y339-F357 AromaticContact CG-CD1 3.94Å; Y339-F357 HydrophobicContact CG-CD1 3.94Å; Y339-F357 HydrophobicContact CG-CD2 4.2Å; Y339-F357 HydrophobicContact CG-CE1 4.01Å; Y339-F357 HydrophobicContact CG-CE2 4.29Å; Y339-F357 HydrophobicContact CG-CG 4.04Å; Y339-F357 HydrophobicContact CG-CZ 4.2Å; Y339-F357 VanDerWaalsContact CZ-CB 3.47Å; Y339-F357 AromaticContact CZ-CG 3.71Å |
| 340 | N | 90 | Very high | 88.7 | Confident | 102 Ų | 102 | 59.7 Ų | 59.7 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 169.6 | -73.2 | -32.7 | 0 | 0 | 0 | 112.3 | S336 K337 V338 K343 A344 | S336-N340 VanDerWaalsContact O-CG 3.26Å; S336-N340 PolarHBondContact O-N 3.46Å; S336-N340 PolarHBondContact O-ND2 3.34Å; K337-N340 WeakPolarHBondContact O-CB 3.47Å; K337-N340 PolarHBondContact O-N 3.29Å; V338-N340 VanDerWaalsContact C-N 3.28Å; V338-N340 PolarHBondContact O-N 2.97Å; N340-K343 PolarHBondContact O-N 3.44Å; N340-A344 WeakPolarHBondContact O-CB 3.36Å; N340-A344 PolarHBondContact O-N 3.23Å |
| 341 | L | 88.8 | Confident | 88.6 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 172.4 | -67.9 | 177.4 | 0 | 0 | 0 | 111.6 | L224 A228 L279 K337 V338 Y339 K343 A344 Y345 | L224-L341 HydrophobicContact CD1-CD1 3.45Å; L224-L341 VanDerWaalsContact CD1-CD1 3.45Å; L224-L341 HydrophobicContact CG-CD1 4.03Å; A228-L341 HydrophobicContact CB-CD1 4.28Å; A228-L341 HydrophobicContact CB-CD2 4.06Å; L279-L341 HydrophobicContact CD2-CB 4.43Å; K337-L341 PolarHBondContact O-N 3.46Å; K337-L341 VanDerWaalsContact O-N 3.14Å; V338-L341 WeakPolarHBondContact O-CA 3.42Å; V338-L341 WeakPolarHBondContact O-CB 3.48Å; V338-L341 PolarHBondContact O-N 2.92Å; Y339-L341 VanDerWaalsContact C-N 3.33Å; L341-K343 VanDerWaalsContact C-N 3.26Å; L341-K343 PolarHBondContact O-N 3.05Å; L341-A344 PolarHBondContact O-N 3.13Å; L341-Y345 HydrophobicContact CD2-CD2 4.5Å; L341-Y345 HydrophobicContact CD2-CE2 4.18Å; L341-Y345 WeakPolarHBondContact O-CD2 3.38Å; L341-Y345 PolarHBondContact O-N 3.49Å |
| 342 | F | 89.7 | Confident | 88.6 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57 | -43.1 | 174.3 | -63.2 | -35.1 | 0 | 0 | 0 | 111.8 | L279 I280 A283 V338 Y339 S346 V347 V349 | L279-F342 HydrophobicContact CB-CE1 4.03Å; L279-F342 HydrophobicContact CD2-CD1 3.91Å; L279-F342 HydrophobicContact CD2-CE1 3.5Å; L279-F342 HydrophobicContact CD2-CZ 4.39Å; L279-F342 HydrophobicContact CG-CD1 4.33Å; L279-F342 HydrophobicContact CG-CE1 3.44Å; L279-F342 VanDerWaalsContact CG-CE1 3.44Å; L279-F342 HydrophobicContact CG-CZ 3.94Å; I280-F342 HydrophobicContact CG1-CE1 3.98Å; I280-F342 HydrophobicContact CG1-CZ 4.02Å; A283-F342 HydrophobicContact CB-CE2 3.68Å; A283-F342 HydrophobicContact CB-CZ 3.63Å; V338-F342 HydrophobicContact CG1-CE1 4.49Å; V338-F342 HydrophobicContact CG1-CE2 4.02Å; V338-F342 HydrophobicContact CG1-CZ 3.89Å; V338-F342 PolarHBondContact O-N 3.26Å; V338-F342 VanDerWaalsContact O-N 3.15Å; Y339-F342 AromaticContact CD1-CD2 3.91Å; Y339-F342 HydrophobicContact CD1-CD2 3.91Å; Y339-F342 HydrophobicContact CD1-CE2 4.31Å; Y339-F342 HydrophobicContact CD2-CD2 4.43Å; Y339-F342 HydrophobicContact CD2-CE2 4.29Å; Y339-F342 HydrophobicContact CE1-CD2 4.31Å; Y339-F342 HydrophobicContact CE1-CE2 4.36Å; Y339-F342 HydrophobicContact CE2-CE2 4.32Å; Y339-F342 AromaticContact CG-CD2 3.98Å; Y339-F342 HydrophobicContact CG-CD2 3.98Å; Y339-F342 HydrophobicContact CG-CE2 4.28Å; Y339-F342 WeakPolarHBondContact O-CB 3.49Å; Y339-F342 PolarHBondContact O-N 3.46Å; F342-S346 CarbonylContact O-C 3.57Å; F342-S346 WeakPolarHBondContact O-CA 3.32Å; F342-S346 PolarHBondContact O-N 2.84Å; F342-V347 HydrophobicContact CB-CB 4.08Å; F342-V347 HydrophobicContact CD1-CB 3.65Å; F342-V347 HydrophobicContact CD1-CG1 3.77Å; F342-V347 HydrophobicContact CD1-CG2 3.98Å; F342-V347 HydrophobicContact CE1-CG1 4.15Å; F342-V347 HydrophobicContact CG-CB 4.23Å; F342-V347 PolarHBondContact O-N 3.41Å; F342-V349 HydrophobicContact CB-CG2 3.92Å; F342-V349 HydrophobicContact CD1-CG2 4.28Å; F342-V349 HydrophobicContact CD2-CG2 3.37Å; F342-V349 HydrophobicContact CE2-CG2 3.87Å; F342-V349 HydrophobicContact CG-CG2 3.63Å; F342-V349 HydrophobicContact CZ-CG2 4.49Å |
| 343 | K | 87.5 | Confident | 88.5 | Confident | 175 Ų | 175 | 60 Ų | 60 | 76% | 0.761 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.7 | -44.2 | 176.5 | -170.5 | 178.7 | 179.9 | -178.9 | 0 | 112.5 | Y339 N340 L341 Y345 S346 | Y339-K343 PolarHBondContact O-N 3.14Å; Y339-K343 VanDerWaalsContact O-N 3.13Å; N340-K343 PolarHBondContact O-N 3.44Å; L341-K343 VanDerWaalsContact C-N 3.26Å; L341-K343 PolarHBondContact O-N 3.05Å; K343-Y345 VanDerWaalsContact C-N 3.3Å; K343-Y345 PolarHBondContact O-N 3.18Å; K343-S346 PolarHBondContact O-N 3.47Å |
| 344 | A | 88.4 | Confident | 88.4 | Confident | 72 Ų | 72 | 60 Ų | 60 | 60% | 0.595 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.6 | -37.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N340 L341 | N340-A344 WeakPolarHBondContact O-CB 3.36Å; N340-A344 PolarHBondContact O-N 3.23Å; L341-A344 PolarHBondContact O-N 3.13Å |
| 345 | Y | 86.4 | Confident | 88.5 | Confident | 52 Ų | 52 | 61.2 Ų | 61.2 | 20% | 0.204 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 9.8 | -177 | -69.8 | -74.2 | 0 | 0 | 0 | 113.9 | L231 E232 H235 L341 K343 V347 | L231-Y345 HydrophobicContact CB-CD1 4.29Å; L231-Y345 HydrophobicContact CB-CD2 4Å; L231-Y345 HydrophobicContact CB-CE1 4.25Å; L231-Y345 HydrophobicContact CB-CE2 3.96Å; L231-Y345 HydrophobicContact CB-CG 4.17Å; L231-Y345 HydrophobicContact CD1-CD2 3.91Å; L231-Y345 HydrophobicContact CD1-CE2 4.41Å; L231-Y345 HydrophobicContact CD1-CG 4.37Å; E232-Y345 WeakPolarHBondContact CA-OH 3.2Å; E232-Y345 VanDerWaalsContact CB-OH 3.3Å; E232-Y345 WeakPolarHBondContact CB-OH 3.42Å; H235-Y345 HydrophobicContact CB-CD1 4.41Å; H235-Y345 HydrophobicContact CB-CE1 4.45Å; H235-Y345 AromaticContact CE1-CD1 3.49Å; H235-Y345 VanDerWaalsContact CE1-CD1 3.49Å; H235-Y345 WeakPolarHBondContact CE1-CD1 3.35Å; H235-Y345 AromaticContact CE1-CG 3.88Å; H235-Y345 AromaticContact CG-CD1 3.73Å; H235-Y345 AromaticContact ND1-CD1 3.31Å; H235-Y345 VanDerWaalsContact ND1-CD1 3.31Å; H235-Y345 WeakPolarHBondContact ND1-CD1 3.28Å; H235-Y345 AromaticContact ND1-CE1 3.93Å; H235-Y345 PolarHBondContact NE2-O 2.92Å; L341-Y345 HydrophobicContact CD2-CD2 4.5Å; L341-Y345 HydrophobicContact CD2-CE2 4.18Å; L341-Y345 WeakPolarHBondContact O-CD2 3.38Å; L341-Y345 PolarHBondContact O-N 3.49Å; K343-Y345 VanDerWaalsContact C-N 3.3Å; K343-Y345 PolarHBondContact O-N 3.18Å; Y345-V347 PolarHBondContact O-N 2.92Å |
| 346 | S | 85.3 | Confident | 88.5 | Confident | 103 Ų | 103 | 62.9 Ų | 62.9 | 72% | 0.72 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 40.1 | -179.9 | -55.1 | 0 | 0 | 0 | 0 | 113.8 | F342 K343 T348 | F342-S346 CarbonylContact O-C 3.57Å; F342-S346 WeakPolarHBondContact O-CA 3.32Å; F342-S346 PolarHBondContact O-N 2.84Å; K343-S346 PolarHBondContact O-N 3.47Å; S346-T348 PolarHBondContact O-N 3.23Å |
| 347 | V | 87 | Confident | 88.5 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | trans | -72.9 | 125.6 | 177.2 | -174.2 | 0 | 0 | 0 | 0 | 109.4 | H276 I280 F342 Y345 V349 | H276-V347 HydrophobicContact CB-CG1 3.92Å; H276-V347 VanDerWaalsContact CD2-CG2 3.5Å; H276-V347 WeakPolarHBondContact CD2-CG2 3.33Å; I280-V347 HydrophobicContact CD1-CG1 4.01Å; I280-V347 HydrophobicContact CG1-CG1 4.26Å; F342-V347 HydrophobicContact CB-CB 4.08Å; F342-V347 HydrophobicContact CD1-CB 3.65Å; F342-V347 HydrophobicContact CD1-CG1 3.77Å; F342-V347 HydrophobicContact CD1-CG2 3.98Å; F342-V347 HydrophobicContact CE1-CG1 4.15Å; F342-V347 HydrophobicContact CG-CB 4.23Å; F342-V347 PolarHBondContact O-N 3.41Å; Y345-V347 PolarHBondContact O-N 2.92Å; V347-V349 PolarHBondContact O-N 3.45Å | ||
| 348 | T | 86.4 | Confident | 88.5 | Confident | 125 Ų | 125 | 63.3 Ų | 63.3 | 77% | 0.767 | 36% | 0.36 | S | S | * | . | trans | -75.4 | 108.4 | 177.8 | -52.2 | 0 | 0 | 0 | 0 | 110.3 | S346 | S346-T348 PolarHBondContact O-N 3.23Š| ||
| 349 | V | 86.6 | Confident | 88.6 | Confident | 21 Ų | 21 | 65.5 Ų | 65.5 | 13% | 0.127 | 37% | 0.373 | C | S | . | . | trans | -94.8 | 136.3 | 176.9 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | Y339 F342 V347 D353 L354 | Y339-V349 HydrophobicContact CE1-CG1 4.35Å; F342-V349 HydrophobicContact CB-CG2 3.92Å; F342-V349 HydrophobicContact CD1-CG2 4.28Å; F342-V349 HydrophobicContact CD2-CG2 3.37Å; F342-V349 HydrophobicContact CE2-CG2 3.87Å; F342-V349 HydrophobicContact CG-CG2 3.63Å; F342-V349 HydrophobicContact CZ-CG2 4.49Å; V347-V349 PolarHBondContact O-N 3.45Å; V349-D353 HydrophobicContact CG1-CB 3.87Å; V349-L354 HydrophobicContact CB-CD1 4.31Å; V349-L354 HydrophobicContact CB-CD2 4.32Å; V349-L354 HydrophobicContact CB-CG 4.08Å; V349-L354 HydrophobicContact CG1-CD2 4.32Å; V349-L354 HydrophobicContact CG1-CG 3.94Å | ||
| 350 | P | 89.4 | Confident | 88.7 | Confident | 57 Ų | 57 | 64.6 Ų | 64.6 | 37% | 0.37 | 37% | 0.37 | S | S | . | . | trans | -54.8 | 142.1 | 171.8 | -25.7 | 35.4 | 0 | 0 | 0 | 112.3 | Q352 D353 L354 | P350-Q352 PolarHBondContact O-N 3.41Å; P350-D353 WeakPolarHBondContact CD-OD2 3.45Å; P350-D353 VanDerWaalsContact CG-OD2 3.31Å; P350-D353 WeakPolarHBondContact CG-OD2 3.18Å; P350-D353 PolarHBondContact O-N 3.02Å; P350-L354 PolarHBondContact O-N 2.9Å | ||
| 351 | S | 87.1 | Confident | 88.7 | Confident | 97 Ų | 97 | 63.7 Ų | 63.7 | 68% | 0.678 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.6 | -32.1 | -177.4 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | L354 V355 | S351-L354 PolarHBondContact O-N 3.23Å; S351-V355 WeakPolarHBondContact O-CG2 3.43Å; S351-V355 PolarHBondContact O-N 2.85Å; S351-V355 VanDerWaalsContact O-N 3.08Å |
| 352 | Q | 87.4 | Confident | 88.9 | Confident | 114 Ų | 114 | 66.3 Ų | 66.3 | 53% | 0.533 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.6 | -51.8 | 176.8 | -174.9 | 58 | 43.6 | 0 | 0 | 111.2 | P350 L354 V355 D356 | P350-Q352 PolarHBondContact O-N 3.41Å; Q352-L354 PolarHBondContact O-N 3.36Å; Q352-V355 WeakPolarHBondContact O-CB 3.46Å; Q352-V355 PolarHBondContact O-N 3.37Å; Q352-D356 PolarHBondContact NE2-OD1 3Å; Q352-D356 VanDerWaalsContact NE2-OD1 3.08Å; Q352-D356 PolarHBondContact NE2-OD2 3.45Å; Q352-D356 VanDerWaalsContact NE2-OD2 3.1Å; Q352-D356 PolarHBondContact O-N 3.12Å |
| 353 | D | 88.2 | Confident | 88.9 | Confident | 11 Ų | 11 | 68.4 Ų | 68.4 | 6% | 0.059 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.2 | -28.7 | 179.4 | -57.6 | -28 | 0 | 0 | 0 | 112.1 | R284 Y339 V349 P350 F357 | R284-D353 IonicContact CZ-OD1 3.67Å; R284-D353 IonicContact CZ-OD2 3.96Å; R284-D353 IonicContact NE-OD1 2.66Å; R284-D353 PolarHBondContact NE-OD1 3.34Å; R284-D353 IonicContact NE-OD2 2.82Å; R284-D353 PolarHBondContact NE-OD2 2.95Å; R284-D353 IonicContact NH2-OD1 3.5Å; R284-D353 PolarHBondContact NH2-OD1 3.12Å; R284-D353 IonicContact NH2-OD2 2.75Å; R284-D353 PolarHBondContact NH2-OD2 3.29Å; Y339-D353 PolarHBondContact OH-O 2.97Å; V349-D353 HydrophobicContact CG1-CB 3.87Å; P350-D353 WeakPolarHBondContact CD-OD2 3.45Å; P350-D353 VanDerWaalsContact CG-OD2 3.31Å; P350-D353 WeakPolarHBondContact CG-OD2 3.18Å; P350-D353 PolarHBondContact O-N 3.02Å; D353-F357 WeakPolarHBondContact O-CB 3.39Å; D353-F357 PolarHBondContact O-N 3.4Å |
| 354 | L | 88.4 | Confident | 89 | Confident | 75 Ų | 75 | 60.1 Ų | 60.1 | 39% | 0.393 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -72 | -41.7 | 173.4 | -75.6 | 167.4 | 0 | 0 | 0 | 112.3 | Y339 V349 P350 S351 Q352 V358 | Y339-L354 HydrophobicContact CD1-CD2 4.1Å; Y339-L354 HydrophobicContact CE1-CD2 3.9Å; V349-L354 HydrophobicContact CB-CD1 4.31Å; V349-L354 HydrophobicContact CB-CD2 4.32Å; V349-L354 HydrophobicContact CB-CG 4.08Å; V349-L354 HydrophobicContact CG1-CD2 4.32Å; V349-L354 HydrophobicContact CG1-CG 3.94Å; P350-L354 PolarHBondContact O-N 2.9Å; S351-L354 PolarHBondContact O-N 3.23Å; Q352-L354 PolarHBondContact O-N 3.36Å; L354-V358 WeakPolarHBondContact O-CB 3.27Å; L354-V358 VanDerWaalsContact O-CG2 3.25Å; L354-V358 WeakPolarHBondContact O-CG2 3.28Å; L354-V358 PolarHBondContact O-N 3.16Å |
| 355 | V | 90.7 | Very high | 89.1 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 49% | 0.485 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 176.7 | 170.4 | 0 | 0 | 0 | 0 | 109.7 | S351 Q352 F357 V358 T359 | S351-V355 WeakPolarHBondContact O-CG2 3.43Å; S351-V355 PolarHBondContact O-N 2.85Å; S351-V355 VanDerWaalsContact O-N 3.08Å; Q352-V355 WeakPolarHBondContact O-CB 3.46Å; Q352-V355 PolarHBondContact O-N 3.37Å; V355-F357 VanDerWaalsContact C-N 3.33Å; V355-F357 PolarHBondContact O-N 2.93Å; V355-V358 PolarHBondContact O-N 2.89Å; V355-V358 VanDerWaalsContact O-N 3.12Å; V355-T359 HydrophobicContact CG1-CG2 4.25Å; V355-T359 WeakPolarHBondContact O-CG2 3.47Å; V355-T359 PolarHBondContact O-N 2.9Å |
| 356 | D | 90.4 | Very high | 89.3 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 20% | 0.203 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.9 | -44.3 | -178.3 | -62.6 | -30.1 | 0 | 0 | 0 | 110.8 | V287 L291 Q352 T359 L360 | V287-D356 HydrophobicContact CG1-CB 3.93Å; L291-D356 HydrophobicContact CD1-CB 4.24Å; Q352-D356 PolarHBondContact NE2-OD1 3Å; Q352-D356 VanDerWaalsContact NE2-OD1 3.08Å; Q352-D356 PolarHBondContact NE2-OD2 3.45Å; Q352-D356 VanDerWaalsContact NE2-OD2 3.1Å; Q352-D356 PolarHBondContact O-N 3.12Å; D356-T359 PolarHBondContact O-N 3.38Å; D356-T359 PolarHBondContact O-OG1 3.43Å; D356-L360 PolarHBondContact O-N 3.22Å |
| 357 | F | 91.3 | Very high | 89.5 | Confident | 38 Ų | 38 | 55.8 Ų | 55.8 | 17% | 0.167 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 172.7 | 174.5 | -107.2 | 0 | 0 | 0 | 113.4 | V287 V335 Y339 D353 V355 T359 L360 | V287-F357 HydrophobicContact CG2-CB 4.31Å; V287-F357 HydrophobicContact CG2-CD2 4.32Å; V335-F357 HydrophobicContact CB-CE2 4.44Å; V335-F357 HydrophobicContact CG1-CD2 3.67Å; V335-F357 HydrophobicContact CG1-CE2 3.76Å; Y339-F357 HydrophobicContact CD1-CB 4.4Å; Y339-F357 AromaticContact CD1-CD1 3.77Å; Y339-F357 HydrophobicContact CD1-CD1 3.77Å; Y339-F357 HydrophobicContact CD1-CE1 4.2Å; Y339-F357 AromaticContact CD1-CG 4Å; Y339-F357 HydrophobicContact CD1-CG 4Å; Y339-F357 HydrophobicContact CD2-CD1 4.29Å; Y339-F357 AromaticContact CD2-CD2 3.73Å; Y339-F357 HydrophobicContact CD2-CD2 3.73Å; Y339-F357 HydrophobicContact CD2-CE1 4.47Å; Y339-F357 AromaticContact CD2-CE2 3.95Å; Y339-F357 HydrophobicContact CD2-CE2 3.95Å; Y339-F357 AromaticContact CD2-CG 3.93Å; Y339-F357 HydrophobicContact CD2-CG 3.93Å; Y339-F357 HydrophobicContact CD2-CZ 4.31Å; Y339-F357 HydrophobicContact CE1-CB 3.73Å; Y339-F357 AromaticContact CE1-CD1 3.97Å; Y339-F357 HydrophobicContact CE1-CD1 3.97Å; Y339-F357 AromaticContact CE1-CG 3.82Å; Y339-F357 HydrophobicContact CE1-CG 3.82Å; Y339-F357 HydrophobicContact CE2-CB 3.94Å; Y339-F357 HydrophobicContact CE2-CD1 4.48Å; Y339-F357 AromaticContact CE2-CD2 3.69Å; Y339-F357 HydrophobicContact CE2-CD2 3.69Å; Y339-F357 HydrophobicContact CE2-CE2 4.37Å; Y339-F357 AromaticContact CE2-CG 3.77Å; Y339-F357 HydrophobicContact CE2-CG 3.77Å; Y339-F357 AromaticContact CG-CD1 3.94Å; Y339-F357 HydrophobicContact CG-CD1 3.94Å; Y339-F357 HydrophobicContact CG-CD2 4.2Å; Y339-F357 HydrophobicContact CG-CE1 4.01Å; Y339-F357 HydrophobicContact CG-CE2 4.29Å; Y339-F357 HydrophobicContact CG-CG 4.04Å; Y339-F357 HydrophobicContact CG-CZ 4.2Å; Y339-F357 VanDerWaalsContact CZ-CB 3.47Å; Y339-F357 AromaticContact CZ-CG 3.71Å; D353-F357 WeakPolarHBondContact O-CB 3.39Å; D353-F357 PolarHBondContact O-N 3.4Å; V355-F357 VanDerWaalsContact C-N 3.33Å; V355-F357 PolarHBondContact O-N 2.93Å; F357-T359 PolarHBondContact O-N 3.49Å; F357-L360 HydrophobicContact CD2-CD1 4.02Å; F357-L360 WeakPolarHBondContact O-CB 3.47Å; F357-L360 PolarHBondContact O-N 3.49Å; F357-L360 VanDerWaalsContact O-N 3.07Å |
| 358 | V | 90.4 | Very high | 89.5 | Confident | 101 Ų | 101 | 59.2 Ų | 59.2 | 61% | 0.612 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.2 | -30.5 | 178.7 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | L354 V355 L360 P362 | L354-V358 WeakPolarHBondContact O-CB 3.27Å; L354-V358 VanDerWaalsContact O-CG2 3.25Å; L354-V358 WeakPolarHBondContact O-CG2 3.28Å; L354-V358 PolarHBondContact O-N 3.16Å; V355-V358 PolarHBondContact O-N 2.89Å; V355-V358 VanDerWaalsContact O-N 3.12Å; V358-L360 VanDerWaalsContact C-N 3.32Å; V358-L360 PolarHBondContact O-N 2.85Å; V358-P362 WeakPolarHBondContact O-CD 3.37Å |
| 359 | T | 91.9 | Very high | 89.7 | Confident | 49 Ų | 49 | 60.1 Ų | 60.1 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -74.8 | -17.3 | 176.7 | 73 | 0 | 0 | 0 | 0 | 114.1 | V355 D356 F357 P362 N363 | V355-T359 HydrophobicContact CG1-CG2 4.25Å; V355-T359 WeakPolarHBondContact O-CG2 3.47Å; V355-T359 PolarHBondContact O-N 2.9Å; D356-T359 PolarHBondContact O-N 3.38Å; D356-T359 PolarHBondContact O-OG1 3.43Å; F357-T359 PolarHBondContact O-N 3.49Å; T359-P362 WeakPolarHBondContact O-CD 3.18Å; T359-N363 WeakPolarHBondContact O-CB 3.43Å; T359-N363 PolarHBondContact O-N 2.76Å; T359-N363 VanDerWaalsContact O-N 3.15Å; T359-N363 PolarHBondContact O-ND2 2.92Å |
| 360 | L | 90.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.6 | -48.5 | -179.5 | -78.5 | 169.3 | 0 | 0 | 0 | 112.1 | V287 L290 L291 D356 F357 V358 N363 I364 | V287-L360 HydrophobicContact CB-CD1 4.32Å; V287-L360 HydrophobicContact CG1-CD1 4Å; V287-L360 HydrophobicContact CG1-CG 4.44Å; V287-L360 HydrophobicContact CG2-CD1 4Å; L290-L360 HydrophobicContact CB-CD2 4.13Å; L290-L360 HydrophobicContact CD2-CD1 4.12Å; L290-L360 HydrophobicContact CD2-CD2 3.96Å; L290-L360 HydrophobicContact CG-CD2 3.91Å; L291-L360 HydrophobicContact CB-CD2 4.32Å; L291-L360 HydrophobicContact CD1-CD2 3.93Å; L291-L360 HydrophobicContact CD1-CG 4.18Å; L291-L360 HydrophobicContact CG-CD2 3.82Å; D356-L360 PolarHBondContact O-N 3.22Å; F357-L360 HydrophobicContact CD2-CD1 4.02Å; F357-L360 WeakPolarHBondContact O-CB 3.47Å; F357-L360 PolarHBondContact O-N 3.49Å; F357-L360 VanDerWaalsContact O-N 3.07Å; V358-L360 VanDerWaalsContact C-N 3.32Å; V358-L360 PolarHBondContact O-N 2.85Å; L360-N363 CarbonylContact O-C 3.58Å; L360-N363 WeakPolarHBondContact O-CA 3.1Å; L360-N363 WeakPolarHBondContact O-CB 3.41Å; L360-N363 PolarHBondContact O-N 2.85Å; L360-I364 HydrophobicContact CB-CD1 4.49Å; L360-I364 WeakPolarHBondContact O-CG1 3.32Å; L360-I364 PolarHBondContact O-N 3.32Å |
| 361 | Q | 90.4 | Very high | 89.7 | Confident | 83 Ų | 83 | 58.2 Ų | 58.2 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.6 | -49.5 | -175.5 | -177.9 | 69.5 | 25.3 | 0 | 0 | 112.6 | H332 N363 I364 S365 | H332-Q361 PolarHBondContact CE1-OE1 3.4Å; H332-Q361 PolarHBondContact NE2-OE1 3.43Å; Q361-N363 PolarHBondContact O-N 3.45Å; Q361-I364 PolarHBondContact O-N 3.18Å; Q361-S365 PolarHBondContact O-N 3Å; Q361-S365 PolarHBondContact O-OG 3.47Å; Q361-S365 VanDerWaalsContact O-OG 3.12Å |
| 362 | P | 92.4 | Very high | 89.7 | Confident | 81 Ų | 81 | 58.7 Ų | 58.7 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.6 | -37.6 | 171.7 | -24.3 | 33.1 | 0 | 0 | 0 | 112.9 | V358 T359 L366 | V358-P362 WeakPolarHBondContact O-CD 3.37Å; T359-P362 WeakPolarHBondContact O-CD 3.18Å; P362-L366 WeakPolarHBondContact O-CB 3.24Å; P362-L366 PolarHBondContact O-N 3.42Å |
| 363 | N | 90.1 | Very high | 89.7 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 179.2 | -86.1 | -55.4 | 0 | 0 | 0 | 112 | V294 K298 T359 L360 Q361 L366 L367 | V294-N363 HydrophobicContact CG1-CB 3.97Å; K298-N363 WeakPolarHBondContact CE-O 3.33Å; K298-N363 PolarHBondContact NZ-O 3.38Å; K298-N363 PolarHBondContact NZ-OD1 2.95Å; T359-N363 WeakPolarHBondContact O-CB 3.43Å; T359-N363 PolarHBondContact O-N 2.76Å; T359-N363 VanDerWaalsContact O-N 3.15Å; T359-N363 PolarHBondContact O-ND2 2.92Å; L360-N363 CarbonylContact O-C 3.58Å; L360-N363 WeakPolarHBondContact O-CA 3.1Å; L360-N363 WeakPolarHBondContact O-CB 3.41Å; L360-N363 PolarHBondContact O-N 2.85Å; Q361-N363 PolarHBondContact O-N 3.45Å; N363-L366 PolarHBondContact O-N 3.24Å; N363-L367 PolarHBondContact O-N 3.46Å |
| 364 | I | 89.7 | Confident | 89.6 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 176.4 | -68.6 | 165.9 | 0 | 0 | 0 | 110.5 | L290 V294 V328 H332 L360 Q361 L366 L367 Y368 | L290-I364 HydrophobicContact CD2-CD1 4.35Å; V294-I364 HydrophobicContact CG2-CG1 3.97Å; V328-I364 HydrophobicContact CG1-CD1 4.48Å; V328-I364 HydrophobicContact CG1-CG1 4.25Å; H332-I364 HydrophobicContact CB-CD1 3.65Å; H332-I364 VanDerWaalsContact CD2-CD1 3.45Å; H332-I364 WeakPolarHBondContact CD2-CD1 3.15Å; L360-I364 HydrophobicContact CB-CD1 4.49Å; L360-I364 WeakPolarHBondContact O-CG1 3.32Å; L360-I364 PolarHBondContact O-N 3.32Å; Q361-I364 PolarHBondContact O-N 3.18Å; I364-L366 VanDerWaalsContact C-N 3.3Å; I364-L366 PolarHBondContact O-N 2.92Å; I364-L367 WeakPolarHBondContact O-CB 3.18Å; I364-L367 PolarHBondContact O-N 3.34Å; I364-Y368 HydrophobicContact CG2-CD2 3.8Å; I364-Y368 HydrophobicContact CG2-CE2 3.5Å; I364-Y368 VanDerWaalsContact O-CD2 3.28Å; I364-Y368 WeakPolarHBondContact O-CD2 3.48Å; I364-Y368 PolarHBondContact O-N 3.41Å |
| 365 | S | 89.9 | Confident | 89.5 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 43% | 0.427 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.5 | -40.3 | 176 | -63.5 | 0 | 0 | 0 | 0 | 112.8 | Q361 Y368 Y369 | Q361-S365 PolarHBondContact O-N 3Å; Q361-S365 PolarHBondContact O-OG 3.47Å; Q361-S365 VanDerWaalsContact O-OG 3.12Å; S365-Y368 PolarHBondContact O-N 2.74Å; S365-Y369 PolarHBondContact O-N 2.84Å; S365-Y369 VanDerWaalsContact O-N 3.16Å |
| 366 | L | 90.6 | Very high | 89.3 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 175 | 178 | 60.3 | 0 | 0 | 0 | 111.8 | P362 N363 I364 Y369 L370 | P362-L366 WeakPolarHBondContact O-CB 3.24Å; P362-L366 PolarHBondContact O-N 3.42Å; N363-L366 PolarHBondContact O-N 3.24Å; I364-L366 VanDerWaalsContact C-N 3.3Å; I364-L366 PolarHBondContact O-N 2.92Å; L366-Y369 HydrophobicContact CD1-CD1 4.27Å; L366-Y369 PolarHBondContact O-N 2.92Å; L366-L370 HydrophobicContact CD1-CG 4.34Å; L366-L370 HydrophobicContact CG-CD1 4.19Å; L366-L370 HydrophobicContact CG-CG 4.49Å; L366-L370 WeakPolarHBondContact O-CG 3.42Å; L366-L370 PolarHBondContact O-N 3.01Å |
| 367 | L | 89.4 | Confident | 89.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.6 | 177.5 | 58.8 | 0 | 0 | 0 | 111.5 | V294 A297 K298 L301 F321 I325 N363 I364 Y369 L370 I371 | V294-L367 HydrophobicContact CB-CD2 4.34Å; V294-L367 HydrophobicContact CG1-CB 4.39Å; V294-L367 HydrophobicContact CG1-CD2 4.03Å; V294-L367 HydrophobicContact CG2-CD2 4.14Å; A297-L367 HydrophobicContact CB-CD1 3.8Å; A297-L367 HydrophobicContact CB-CD2 4.1Å; K298-L367 HydrophobicContact CG-CB 4.26Å; K298-L367 HydrophobicContact CG-CD1 4.02Å; L301-L367 HydrophobicContact CD1-CD1 3.52Å; F321-L367 HydrophobicContact CE1-CD1 4.17Å; F321-L367 HydrophobicContact CE1-CD2 3.75Å; F321-L367 HydrophobicContact CE1-CG 4.18Å; F321-L367 HydrophobicContact CZ-CD2 3.97Å; I325-L367 HydrophobicContact CD1-CG 4.49Å; N363-L367 PolarHBondContact O-N 3.46Å; I364-L367 WeakPolarHBondContact O-CB 3.18Å; I364-L367 PolarHBondContact O-N 3.34Å; L367-Y369 VanDerWaalsContact C-N 3.33Å; L367-Y369 PolarHBondContact O-N 3.39Å; L367-L370 PolarHBondContact O-N 2.91Å; L367-I371 HydrophobicContact CD1-CD1 3.96Å; L367-I371 HydrophobicContact CD1-CG1 4.3Å; L367-I371 HydrophobicContact CG-CD1 3.95Å; L367-I371 WeakPolarHBondContact O-CD1 3.22Å; L367-I371 WeakPolarHBondContact O-CG1 2.9Å; L367-I371 PolarHBondContact O-N 3.14Å |
| 368 | Y | 88.4 | Confident | 89 | Confident | 85 Ų | 85 | 62.1 Ų | 62.1 | 33% | 0.333 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.2 | -45.3 | 172.8 | -83.3 | -72.3 | 0 | 0 | 0 | 112.4 | I325 Q329 I364 S365 I371 D372 | I325-Y368 HydrophobicContact CB-CE1 4.43Å; I325-Y368 HydrophobicContact CD1-CD1 3.38Å; I325-Y368 HydrophobicContact CD1-CD2 4.28Å; I325-Y368 HydrophobicContact CD1-CE1 3.34Å; I325-Y368 HydrophobicContact CD1-CE2 4.23Å; I325-Y368 HydrophobicContact CD1-CG 3.87Å; I325-Y368 HydrophobicContact CG1-CD1 4.03Å; I325-Y368 HydrophobicContact CG1-CE1 3.42Å; I325-Y368 VanDerWaalsContact CG1-CE1 3.42Å; I325-Y368 HydrophobicContact CG1-CE2 4.29Å; I325-Y368 HydrophobicContact CG2-CE1 4.16Å; Q329-Y368 PolarHBondContact OE1-OH 3.31Å; I364-Y368 HydrophobicContact CG2-CD2 3.8Å; I364-Y368 HydrophobicContact CG2-CE2 3.5Å; I364-Y368 VanDerWaalsContact O-CD2 3.28Å; I364-Y368 WeakPolarHBondContact O-CD2 3.48Å; I364-Y368 PolarHBondContact O-N 3.41Å; S365-Y368 PolarHBondContact O-N 2.74Å; Y368-I371 PolarHBondContact O-N 3.34Å; Y368-D372 PolarHBondContact O-N 3.34Å |
| 369 | Y | 89.4 | Confident | 88.8 | Confident | 143 Ų | 143 | 64.9 Ų | 64.9 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61 | -44.9 | 177 | 171.5 | -91.6 | 0 | 0 | 0 | 112.1 | S365 L366 L367 I371 D372 D373 | S365-Y369 PolarHBondContact O-N 2.84Å; S365-Y369 VanDerWaalsContact O-N 3.16Å; L366-Y369 HydrophobicContact CD1-CD1 4.27Å; L366-Y369 PolarHBondContact O-N 2.92Å; L367-Y369 VanDerWaalsContact C-N 3.33Å; L367-Y369 PolarHBondContact O-N 3.39Å; Y369-I371 VanDerWaalsContact C-N 3.3Å; Y369-I371 PolarHBondContact O-N 3.12Å; Y369-D372 PolarHBondContact O-N 2.96Å; Y369-D373 WeakPolarHBondContact O-CB 3.35Å; Y369-D373 PolarHBondContact O-N 3.23Å |
| 370 | L | 88.5 | Confident | 88.6 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 12% | 0.12 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 179.3 | -71.7 | 169.4 | 0 | 0 | 0 | 112.5 | K298 L301 E302 L366 L367 A374 | K298-L370 HydrophobicContact CB-CD1 4.29Å; K298-L370 HydrophobicContact CG-CD1 3.98Å; L301-L370 HydrophobicContact CB-CB 4.36Å; L301-L370 HydrophobicContact CD1-CB 4.06Å; E302-L370 HydrophobicContact CG-CD1 3.93Å; E302-L370 HydrophobicContact CG-CD2 4Å; L366-L370 HydrophobicContact CD1-CG 4.34Å; L366-L370 HydrophobicContact CG-CD1 4.19Å; L366-L370 HydrophobicContact CG-CG 4.49Å; L366-L370 WeakPolarHBondContact O-CG 3.42Å; L366-L370 PolarHBondContact O-N 3.01Å; L367-L370 PolarHBondContact O-N 2.91Å; L370-A374 WeakPolarHBondContact O-CB 3.27Å; L370-A374 PolarHBondContact O-N 3.11Å |
| 371 | I | 87.6 | Confident | 88.4 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 8% | 0.077 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.8 | -46.9 | 175.3 | -68.4 | 161.6 | 0 | 0 | 0 | 110.3 | L301 F321 I325 L367 Y368 Y369 D373 A374 V375 | L301-I371 HydrophobicContact CD1-CD1 4.33Å; L301-I371 HydrophobicContact CD1-CG1 3.49Å; L301-I371 VanDerWaalsContact CD1-CG1 3.49Å; F321-I371 HydrophobicContact CD1-CD1 3.61Å; F321-I371 HydrophobicContact CD1-CG1 4.47Å; F321-I371 HydrophobicContact CE1-CD1 3.89Å; I325-I371 HydrophobicContact CD1-CD1 3.25Å; I325-I371 HydrophobicContact CG1-CD1 4.49Å; L367-I371 HydrophobicContact CD1-CD1 3.96Å; L367-I371 HydrophobicContact CD1-CG1 4.3Å; L367-I371 HydrophobicContact CG-CD1 3.95Å; L367-I371 WeakPolarHBondContact O-CD1 3.22Å; L367-I371 WeakPolarHBondContact O-CG1 2.9Å; L367-I371 PolarHBondContact O-N 3.14Å; Y368-I371 PolarHBondContact O-N 3.34Å; Y369-I371 VanDerWaalsContact C-N 3.3Å; Y369-I371 PolarHBondContact O-N 3.12Å; I371-D373 VanDerWaalsContact C-N 3.32Å; I371-D373 PolarHBondContact O-N 2.64Å; I371-A374 PolarHBondContact O-N 3.45Å; I371-V375 HydrophobicContact CG2-CG2 4.16Å; I371-V375 WeakPolarHBondContact O-CB 3.43Å; I371-V375 VanDerWaalsContact O-CG2 3.22Å; I371-V375 WeakPolarHBondContact O-CG2 3.42Å; I371-V375 PolarHBondContact O-N 3.28Å |
| 372 | D | 87.4 | Confident | 88.3 | Confident | 108 Ų | 108 | 66.1 Ų | 66.1 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.3 | -46 | 177.7 | -170.1 | 59.9 | 0 | 0 | 0 | 111.1 | Y368 Y369 V375 T376 | Y368-D372 PolarHBondContact O-N 3.34Å; Y369-D372 PolarHBondContact O-N 2.96Å; D372-V375 PolarHBondContact O-N 3.5Å; D372-T376 WeakPolarHBondContact O-CG2 3.16Å; D372-T376 PolarHBondContact O-N 3.32Å; D372-T376 PolarHBondContact O-OG1 2.87Å |
| 373 | D | 88.6 | Confident | 88.1 | Confident | 82 Ų | 82 | 67.1 Ų | 67.1 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 175.4 | -168.7 | 61.4 | 0 | 0 | 0 | 111.6 | Y369 I371 V375 T376 D377 | Y369-D373 WeakPolarHBondContact O-CB 3.35Å; Y369-D373 PolarHBondContact O-N 3.23Å; I371-D373 VanDerWaalsContact C-N 3.32Å; I371-D373 PolarHBondContact O-N 2.64Å; D373-V375 VanDerWaalsContact C-N 3.35Å; D373-V375 PolarHBondContact O-N 3.22Å; D373-T376 WeakPolarHBondContact CA-OG1 3.45Å; D373-T376 PolarHBondContact O-N 3.24Å; D373-T376 VanDerWaalsContact O-N 3.13Å; D373-T376 PolarHBondContact O-OG1 2.92Å; D373-D377 PolarHBondContact O-N 3.05Å |
| 374 | A | 86.1 | Confident | 88 | Confident | 17 Ų | 17 | 67.8 Ų | 67.8 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.4 | -33.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L301 L318 L370 I371 D377 R378 | L301-A374 HydrophobicContact CD2-CB 4.26Å; L318-A374 HydrophobicContact CD1-CB 4.17Å; L318-A374 HydrophobicContact CD2-CB 3.6Å; L370-A374 WeakPolarHBondContact O-CB 3.27Å; L370-A374 PolarHBondContact O-N 3.11Å; I371-A374 PolarHBondContact O-N 3.45Å; A374-D377 PolarHBondContact O-N 2.86Å; A374-R378 PolarHBondContact O-N 2.91Å |
| 375 | V | 86.1 | Confident | 88.1 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 29% | 0.285 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.1 | -39.2 | 172.7 | 168.9 | 0 | 0 | 0 | 0 | 110.3 | I371 D372 D373 R378 | I371-V375 HydrophobicContact CG2-CG2 4.16Å; I371-V375 WeakPolarHBondContact O-CB 3.43Å; I371-V375 VanDerWaalsContact O-CG2 3.22Å; I371-V375 WeakPolarHBondContact O-CG2 3.42Å; I371-V375 PolarHBondContact O-N 3.28Å; D372-V375 PolarHBondContact O-N 3.5Å; D373-V375 VanDerWaalsContact C-N 3.35Å; D373-V375 PolarHBondContact O-N 3.22Å; V375-R378 WeakPolarHBondContact O-CB 3.32Å; V375-R378 PolarHBondContact O-N 3.3Å |
| 376 | T | 86.8 | Confident | 88.2 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 63% | 0.632 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.8 | -34 | 174 | 57.8 | 0 | 0 | 0 | 0 | 113.4 | D372 D373 R378 | D372-T376 WeakPolarHBondContact O-CG2 3.16Å; D372-T376 PolarHBondContact O-N 3.32Å; D372-T376 PolarHBondContact O-OG1 2.87Å; D373-T376 WeakPolarHBondContact CA-OG1 3.45Å; D373-T376 PolarHBondContact O-N 3.24Å; D373-T376 VanDerWaalsContact O-N 3.13Å; D373-T376 PolarHBondContact O-OG1 2.92Å; T376-R378 VanDerWaalsContact C-N 3.3Å |
| 377 | D | 87.4 | Confident | 88.2 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 36% | 0.358 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -3 | 174.8 | -169.7 | 57.4 | 0 | 0 | 0 | 113.5 | D373 A374 E379 S380 S381 | D373-D377 PolarHBondContact O-N 3.05Å; A374-D377 PolarHBondContact O-N 2.86Å; D377-E379 VanDerWaalsContact C-N 3.29Å; D377-E379 PolarHBondContact O-N 3.44Å; D377-E379 VanDerWaalsContact O-N 3.16Å; D377-S380 WeakPolarHBondContact O-CB 3.23Å; D377-S380 PolarHBondContact O-N 3.43Å; D377-S380 VanDerWaalsContact O-N 3.08Å; D377-S380 WeakPolarHBondContact OD1-CB 3.25Å; D377-S380 PolarHBondContact OD1-OG 2.97Å; D377-S381 PolarHBondContact O-N 2.87Å; D377-S381 PolarHBondContact OD2-OG 3.29Å |
| 378 | R | 86.2 | Confident | 88.3 | Confident | 111 Ų | 111 | 71.9 Ų | 71.9 | 42% | 0.419 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -55.4 | -40.5 | -172.7 | -168 | 176.8 | 79.4 | 155.5 | -1.1 | 113.6 | L315 D319 A374 V375 T376 S381 M382 | L315-R378 HydrophobicContact CD2-CG 3.96Å; D319-R378 IonicContact OD1-NH1 3.08Å; D319-R378 PolarHBondContact OD1-NH1 2.84Å; D319-R378 VanDerWaalsContact OD1-NH1 3.08Å; A374-R378 PolarHBondContact O-N 2.91Å; V375-R378 WeakPolarHBondContact O-CB 3.32Å; V375-R378 PolarHBondContact O-N 3.3Å; T376-R378 VanDerWaalsContact C-N 3.3Å; R378-S381 PolarHBondContact O-N 3.38Å; R378-M382 WeakPolarHBondContact O-CB 3.13Å; R378-M382 PolarHBondContact O-N 3.19Å |
| 379 | E | 87.4 | Confident | 88.4 | Confident | 159 Ų | 159 | 72.1 Ų | 72.1 | 74% | 0.743 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.2 | -43.1 | -179.9 | -169.3 | 163.9 | -160.7 | 0 | 0 | 111.6 | D377 M382 D383 | D377-E379 VanDerWaalsContact C-N 3.29Å; D377-E379 PolarHBondContact O-N 3.44Å; D377-E379 VanDerWaalsContact O-N 3.16Å; E379-M382 WeakPolarHBondContact O-CB 3.4Å; E379-M382 PolarHBondContact O-N 3.19Å; E379-D383 PolarHBondContact O-N 2.91Å |
| 380 | S | 87.7 | Confident | 88.5 | Confident | 55 Ų | 55 | 67.2 Ų | 67.2 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 173.8 | 154.2 | 0 | 0 | 0 | 0 | 111.9 | D377 M382 D383 R384 | D377-S380 WeakPolarHBondContact O-CB 3.23Å; D377-S380 PolarHBondContact O-N 3.43Å; D377-S380 VanDerWaalsContact O-N 3.08Å; D377-S380 WeakPolarHBondContact OD1-CB 3.25Å; D377-S380 PolarHBondContact OD1-OG 2.97Å; S380-M382 PolarHBondContact O-N 3.03Å; S380-D383 PolarHBondContact O-N 2.73Å; S380-R384 WeakPolarHBondContact O-CG 3.27Å; S380-R384 PolarHBondContact O-N 2.68Å |
| 381 | S | 85.6 | Confident | 88.6 | Confident | 21 Ų | 21 | 70.5 Ų | 70.5 | 15% | 0.147 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.9 | -36.7 | 174.9 | -78.4 | 0 | 0 | 0 | 0 | 112.7 | D377 R378 R384 F385 | D377-S381 PolarHBondContact O-N 2.87Å; D377-S381 PolarHBondContact OD2-OG 3.29Å; R378-S381 PolarHBondContact O-N 3.38Å; S381-R384 PolarHBondContact O-N 3.13Å; S381-F385 PolarHBondContact O-N 3.48Å |
| 382 | M | 88.2 | Confident | 88.8 | Confident | 82 Ų | 82 | 73.2 Ų | 73.2 | 40% | 0.404 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 173.3 | -173.9 | 63.6 | 68.3 | 0 | 0 | 111.8 | L315 R378 E379 S380 R384 F385 V386 | L315-M382 HydrophobicContact CD1-CE 3.86Å; L315-M382 HydrophobicContact CD1-SD 4.17Å; L315-M382 HydrophobicContact CD2-CE 4.43Å; R378-M382 WeakPolarHBondContact O-CB 3.13Å; R378-M382 PolarHBondContact O-N 3.19Å; E379-M382 WeakPolarHBondContact O-CB 3.4Å; E379-M382 PolarHBondContact O-N 3.19Å; S380-M382 PolarHBondContact O-N 3.03Å; M382-R384 VanDerWaalsContact C-N 3.29Å; M382-R384 PolarHBondContact O-N 2.61Å; M382-F385 WeakPolarHBondContact O-CB 3.27Å; M382-F385 PolarHBondContact O-N 3.29Å; M382-F385 HydrophobicContact SD-CD1 4.17Å; M382-V386 WeakPolarHBondContact O-CG2 3.46Å; M382-V386 PolarHBondContact O-N 2.92Å |
| 383 | D | 90 | Very high | 89 | Confident | 103 Ų | 103 | 72.7 Ų | 72.7 | 55% | 0.551 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.5 | -39.5 | 176.4 | -78.1 | -19.1 | 0 | 0 | 0 | 112 | E379 S380 S387 | E379-D383 PolarHBondContact O-N 2.91Å; S380-D383 PolarHBondContact O-N 2.73Å; D383-S387 WeakPolarHBondContact O-CB 3.39Å; D383-S387 PolarHBondContact O-N 3.2Å; D383-S387 PolarHBondContact O-OG 3.39Å |
| 384 | R | 88.1 | Confident | 89.2 | Confident | 65 Ų | 65 | 73.5 Ų | 73.5 | 25% | 0.245 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64 | -44.5 | 174.1 | -73.8 | 176.3 | 60.4 | -155.1 | -5.4 | 111.9 | Y304 P305 M311 S380 S381 M382 S387 S388 | Y304-R384 VanDerWaalsContact CE2-NH1 3.33Å; Y304-R384 VanDerWaalsContact CZ-CZ 3.42Å; Y304-R384 VanDerWaalsContact OH-CZ 3.24Å; Y304-R384 PolarHBondContact OH-NH1 3.05Å; Y304-R384 VanDerWaalsContact OH-NH1 3.08Å; P305-R384 PolarHBondContact O-NH2 2.89Å; M311-R384 HydrophobicContact SD-CB 4.36Å; S380-R384 WeakPolarHBondContact O-CG 3.27Å; S380-R384 PolarHBondContact O-N 2.68Å; S381-R384 PolarHBondContact O-N 3.13Å; M382-R384 VanDerWaalsContact C-N 3.29Å; M382-R384 PolarHBondContact O-N 2.61Å; R384-S387 PolarHBondContact O-N 3.09Å; R384-S388 WeakPolarHBondContact O-CB 3.43Å; R384-S388 PolarHBondContact O-N 3.2Å |
| 385 | F | 90.9 | Very high | 89.5 | Confident | 43 Ų | 43 | 78.9 Ų | 78.9 | 19% | 0.189 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.8 | -48.3 | 176.3 | 171.9 | -111.3 | 0 | 0 | 0 | 111.6 | T308 M311 A312 L315 S381 M382 S387 S388 L389 | T308-F385 HydrophobicContact CG2-CD2 3.97Å; T308-F385 HydrophobicContact CG2-CE2 3.57Å; T308-F385 HydrophobicContact CG2-CZ 4.5Å; T308-F385 VanDerWaalsContact O-CE2 3.31Å; T308-F385 WeakPolarHBondContact O-CE2 3.07Å; M311-F385 HydrophobicContact CB-CB 4.2Å; M311-F385 HydrophobicContact CB-CD2 3.83Å; M311-F385 HydrophobicContact CB-CG 4.45Å; M311-F385 HydrophobicContact SD-CB 4.4Å; A312-F385 HydrophobicContact CB-CD2 4.43Å; A312-F385 HydrophobicContact CB-CE2 3.74Å; A312-F385 HydrophobicContact CB-CZ 4.12Å; L315-F385 HydrophobicContact CD1-CB 4.25Å; L315-F385 HydrophobicContact CD1-CG 4.38Å; S381-F385 PolarHBondContact O-N 3.48Å; M382-F385 WeakPolarHBondContact O-CB 3.27Å; M382-F385 PolarHBondContact O-N 3.29Å; M382-F385 HydrophobicContact SD-CD1 4.17Å; F385-S387 VanDerWaalsContact C-N 3.32Å; F385-S387 PolarHBondContact O-N 3.06Å; F385-S388 PolarHBondContact O-N 3.3Å; F385-L389 WeakPolarHBondContact O-CB 3.45Å; F385-L389 PolarHBondContact O-N 3.06Å |
| 386 | V | 91 | Very high | 89.7 | Confident | 82 Ų | 82 | 81.9 Ų | 81.9 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 177.4 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | M382 L389 A390 | M382-V386 WeakPolarHBondContact O-CG2 3.46Å; M382-V386 PolarHBondContact O-N 2.92Å; V386-L389 PolarHBondContact O-N 3.37Å; V386-A390 WeakPolarHBondContact O-CB 3.45Å; V386-A390 PolarHBondContact O-N 2.86Å |
| 387 | S | 91.1 | Very high | 90 | Very high | 73 Ų | 73 | 81.2 Ų | 81.2 | 51% | 0.51 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.3 | -40.5 | 177.6 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | D383 R384 F385 T391 | D383-S387 WeakPolarHBondContact O-CB 3.39Å; D383-S387 PolarHBondContact O-N 3.2Å; D383-S387 PolarHBondContact O-OG 3.39Å; R384-S387 PolarHBondContact O-N 3.09Å; F385-S387 VanDerWaalsContact C-N 3.32Å; F385-S387 PolarHBondContact O-N 3.06Å; S387-T391 PolarHBondContact O-N 2.84Å; S387-T391 VanDerWaalsContact O-N 3.08Å; S387-T391 PolarHBondContact O-OG1 2.92Å |
| 388 | S | 91.1 | Very high | 90.1 | Very high | 25 Ų | 25 | 83.1 Ų | 83.1 | 18% | 0.175 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 176.2 | -164.6 | 0 | 0 | 0 | 0 | 111.2 | T308 R384 F385 A390 T391 D392 | T308-S388 WeakPolarHBondContact OG1-CB 3.43Å; T308-S388 PolarHBondContact OG1-OG 3.46Å; R384-S388 WeakPolarHBondContact O-CB 3.43Å; R384-S388 PolarHBondContact O-N 3.2Å; F385-S388 PolarHBondContact O-N 3.3Å; S388-A390 PolarHBondContact O-N 3.06Å; S388-T391 WeakPolarHBondContact O-CB 3.33Å; S388-T391 PolarHBondContact O-N 3.48Å; S388-T391 VanDerWaalsContact O-N 3.09Å; S388-D392 PolarHBondContact O-N 3.49Å |
| 389 | L | 92 | Very high | 90.4 | Very high | 90 Ų | 90 | 83 Ų | 83 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 176.1 | -172.3 | 69.5 | 0 | 0 | 0 | 112.2 | T308 F385 V386 T391 D392 E393 | T308-L389 HydrophobicContact CG2-CB 4.12Å; T308-L389 HydrophobicContact CG2-CD1 3.95Å; F385-L389 WeakPolarHBondContact O-CB 3.45Å; F385-L389 PolarHBondContact O-N 3.06Å; V386-L389 PolarHBondContact O-N 3.37Å; L389-T391 VanDerWaalsContact C-N 3.26Å; L389-T391 PolarHBondContact O-N 3.27Å; L389-D392 PolarHBondContact O-N 2.93Å; L389-E393 WeakPolarHBondContact O-CB 3.37Å; L389-E393 PolarHBondContact O-N 2.88Å |
| 390 | A | 90.6 | Very high | 90.5 | Very high | 41 Ų | 41 | 80 Ų | 80 | 34% | 0.339 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.7 | -35.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | V386 S388 N394 | V386-A390 WeakPolarHBondContact O-CB 3.45Å; V386-A390 PolarHBondContact O-N 2.86Å; S388-A390 PolarHBondContact O-N 3.06Å; A390-N394 WeakPolarHBondContact O-CB 3.3Å; A390-N394 VanDerWaalsContact O-CG 3.29Å; A390-N394 PolarHBondContact O-N 3.5Å; A390-N394 PolarHBondContact O-ND2 3.4Å |
| 391 | T | 91.6 | Very high | 90.6 | Very high | 91 Ų | 91 | 85.8 Ų | 85.8 | 56% | 0.558 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -67.4 | -44.9 | 176.1 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | S387 S388 L389 N394 K395 | S387-T391 PolarHBondContact O-N 2.84Å; S387-T391 VanDerWaalsContact O-N 3.08Å; S387-T391 PolarHBondContact O-OG1 2.92Å; S388-T391 WeakPolarHBondContact O-CB 3.33Å; S388-T391 PolarHBondContact O-N 3.48Å; S388-T391 VanDerWaalsContact O-N 3.09Å; L389-T391 VanDerWaalsContact C-N 3.26Å; L389-T391 PolarHBondContact O-N 3.27Å; T391-N394 PolarHBondContact O-N 2.79Å; T391-K395 WeakPolarHBondContact O-CB 3.48Å; T391-K395 PolarHBondContact O-N 3.23Å |
| 392 | D | 91.7 | Very high | 90.7 | Very high | 73 Ų | 73 | 89.5 Ų | 89.5 | 39% | 0.39 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 176.5 | -73.8 | -21.1 | 0 | 0 | 0 | 112.2 | T308 S388 L389 K395 M396 | T308-D392 VanDerWaalsContact CB-OD2 3.28Å; T308-D392 WeakPolarHBondContact CB-OD2 3.38Å; T308-D392 PolarHBondContact OG1-OD2 3.13Å; S388-D392 PolarHBondContact O-N 3.49Å; L389-D392 PolarHBondContact O-N 2.93Å; D392-K395 PolarHBondContact O-N 3.03Å; D392-M396 WeakPolarHBondContact O-CB 3.49Å; D392-M396 PolarHBondContact O-N 3.26Å |
| 393 | E | 91.8 | Very high | 90.5 | Very high | 97 Ų | 97 | 91 Ų | 91 | 45% | 0.453 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.1 | -49.1 | 175.2 | -171.5 | -172.6 | 167.4 | 0 | 0 | 111.2 | L389 K395 M396 Q397 | L389-E393 WeakPolarHBondContact O-CB 3.37Å; L389-E393 PolarHBondContact O-N 2.88Å; E393-K395 VanDerWaalsContact C-N 3.33Å; E393-K395 PolarHBondContact O-N 2.88Å; E393-M396 PolarHBondContact O-N 3.36Å; E393-Q397 WeakPolarHBondContact O-CG 3.48Å; E393-Q397 PolarHBondContact O-N 3.05Å; E393-Q397 PolarHBondContact OE1-NE2 3.26Å; E393-Q397 VanDerWaalsContact OE1-NE2 3.12Å |
| 394 | N | 92 | Very high | 90.1 | Very high | 99 Ų | 99 | 88.5 Ų | 88.5 | 53% | 0.529 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 178.2 | -77.2 | -47.5 | 0 | 0 | 0 | 111.8 | A390 T391 Q397 E398 | A390-N394 WeakPolarHBondContact O-CB 3.3Å; A390-N394 VanDerWaalsContact O-CG 3.29Å; A390-N394 PolarHBondContact O-N 3.5Å; A390-N394 PolarHBondContact O-ND2 3.4Å; T391-N394 PolarHBondContact O-N 2.79Å; N394-Q397 PolarHBondContact O-N 3.16Å; N394-E398 PolarHBondContact O-N 3Å |
| 395 | K | 91.5 | Very high | 89.7 | Confident | 130 Ų | 130 | 91 Ų | 91 | 57% | 0.565 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.9 | -44.7 | 177.7 | -171 | 180 | 178.3 | -173.9 | 0 | 111.4 | T391 D392 E393 E398 E399 | T391-K395 WeakPolarHBondContact O-CB 3.48Å; T391-K395 PolarHBondContact O-N 3.23Å; D392-K395 PolarHBondContact O-N 3.03Å; E393-K395 VanDerWaalsContact C-N 3.33Å; E393-K395 PolarHBondContact O-N 2.88Å; K395-E398 PolarHBondContact O-N 2.96Å; K395-E399 PolarHBondContact O-N 2.86Å |
| 396 | M | 91.9 | Very high | 89 | Confident | 109 Ų | 109 | 95.7 Ų | 95.7 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 175.7 | 177.9 | 175.6 | 46.4 | 0 | 0 | 111.9 | D392 E393 E398 E399 I400 | D392-M396 WeakPolarHBondContact O-CB 3.49Å; D392-M396 PolarHBondContact O-N 3.26Å; E393-M396 PolarHBondContact O-N 3.36Å; M396-E398 VanDerWaalsContact C-N 3.27Å; M396-E398 PolarHBondContact O-N 3.24Å; M396-E399 PolarHBondContact O-N 2.91Å; M396-I400 HydrophobicContact CG-CD1 3.96Å; M396-I400 VanDerWaalsContact O-CG1 3.3Å; M396-I400 WeakPolarHBondContact O-CG1 3.38Å; M396-I400 PolarHBondContact O-N 3.33Å |
| 397 | Q | 91.4 | Very high | 88.1 | Confident | 89 Ų | 89 | 97.6 Ų | 97.6 | 42% | 0.416 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -38.4 | 175.6 | -72.8 | -175.2 | 13.7 | 0 | 0 | 112 | E393 N394 R401 | E393-Q397 WeakPolarHBondContact O-CG 3.48Å; E393-Q397 PolarHBondContact O-N 3.05Å; E393-Q397 PolarHBondContact OE1-NE2 3.26Å; E393-Q397 VanDerWaalsContact OE1-NE2 3.12Å; N394-Q397 PolarHBondContact O-N 3.16Å; Q397-R401 PolarHBondContact O-N 3.36Å |
| 398 | E | 90.9 | Very high | 86.6 | Confident | 108 Ų | 108 | 102 Ų | 102 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 176.8 | -157.8 | -173.7 | 145.3 | 0 | 0 | 112 | N394 K395 M396 R401 K402 | N394-E398 PolarHBondContact O-N 3Å; K395-E398 PolarHBondContact O-N 2.96Å; M396-E398 VanDerWaalsContact C-N 3.27Å; M396-E398 PolarHBondContact O-N 3.24Å; E398-R401 WeakPolarHBondContact O-CB 3.35Å; E398-R401 PolarHBondContact O-N 2.95Å; E398-K402 WeakPolarHBondContact O-CG 3.33Å; E398-K402 PolarHBondContact O-N 3.37Å; E398-K402 VanDerWaalsContact OE1-CE 3.3Å; E398-K402 WeakPolarHBondContact OE1-CE 3.42Å; E398-K402 IonicContact OE1-NZ 3.66Å; E398-K402 PolarHBondContact OE1-NZ 3.43Å |
| 399 | E | 91.7 | Very high | 85 | Confident | 109 Ų | 109 | 107.1 Ų | 107.1 | 51% | 0.509 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 174.4 | -72.9 | -164.2 | 177.2 | 0 | 0 | 112.4 | K395 M396 R401 K402 M403 | K395-E399 PolarHBondContact O-N 2.86Å; M396-E399 PolarHBondContact O-N 2.91Å; E399-R401 VanDerWaalsContact C-N 3.32Å; E399-R401 PolarHBondContact O-N 3.25Å; E399-K402 PolarHBondContact O-N 3.09Å; E399-M403 PolarHBondContact O-N 2.91Å |
| 400 | I | 90 | Very high | 82.6 | Confident | 96 Ų | 96 | 113.2 Ų | 113.2 | 49% | 0.492 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -60.1 | -43.7 | 174 | -69.1 | 166.9 | 0 | 0 | 0 | 110.4 | M396 K402 M403 A404 | M396-I400 HydrophobicContact CG-CD1 3.96Å; M396-I400 VanDerWaalsContact O-CG1 3.3Å; M396-I400 WeakPolarHBondContact O-CG1 3.38Å; M396-I400 PolarHBondContact O-N 3.33Å; I400-K402 PolarHBondContact O-N 2.86Å; I400-M403 PolarHBondContact O-N 3.37Å; I400-A404 WeakPolarHBondContact O-CB 3.37Å; I400-A404 PolarHBondContact O-N 3.2Å |
| 401 | R | 88.6 | Confident | 82.2 | Confident | 176 Ų | 176 | 116.8 Ų | 116.8 | 66% | 0.664 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.2 | -44.3 | 176 | -117.4 | -173.8 | -179 | 111.2 | -1.1 | 111.9 | Q397 E398 E399 A404 Q405 | Q397-R401 PolarHBondContact O-N 3.36Å; E398-R401 WeakPolarHBondContact O-CB 3.35Å; E398-R401 PolarHBondContact O-N 2.95Å; E399-R401 VanDerWaalsContact C-N 3.32Å; E399-R401 PolarHBondContact O-N 3.25Å; R401-A404 PolarHBondContact O-N 3.03Å; R401-Q405 WeakPolarHBondContact O-CG 3.3Å; R401-Q405 PolarHBondContact O-N 3.47Å |
| 402 | K | 87.8 | Confident | 81.7 | Confident | 99 Ų | 99 | 118.2 Ų | 118.2 | 43% | 0.43 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.8 | -44.9 | 177.2 | -74.2 | 170.7 | -175.4 | 161 | 0 | 111.4 | E398 E399 I400 Q405 M406 | E398-K402 WeakPolarHBondContact O-CG 3.33Å; E398-K402 PolarHBondContact O-N 3.37Å; E398-K402 VanDerWaalsContact OE1-CE 3.3Å; E398-K402 WeakPolarHBondContact OE1-CE 3.42Å; E398-K402 IonicContact OE1-NZ 3.66Å; E398-K402 PolarHBondContact OE1-NZ 3.43Å; E399-K402 PolarHBondContact O-N 3.09Å; I400-K402 PolarHBondContact O-N 2.86Å; K402-Q405 PolarHBondContact O-N 3.44Å; K402-M406 WeakPolarHBondContact O-CG 3.27Å; K402-M406 PolarHBondContact O-N 3.41Å |
| 403 | M | 85 | Confident | 81.1 | Confident | 112 Ų | 112 | 120.7 Ų | 120.7 | 55% | 0.552 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.1 | -42.4 | 175.6 | -75.3 | -165 | -75.7 | 0 | 0 | 112.4 | E399 I400 Q405 M406 L407 | E399-M403 PolarHBondContact O-N 2.91Å; I400-M403 PolarHBondContact O-N 3.37Å; M403-Q405 VanDerWaalsContact C-N 3.3Å; M403-Q405 PolarHBondContact O-N 3.35Å; M403-M406 PolarHBondContact O-N 3.37Å; M403-M406 VanDerWaalsContact O-N 3.17Å; M403-L407 PolarHBondContact O-N 3.45Å |
| 404 | A | 82.3 | Confident | 80.5 | Confident | 51 Ų | 51 | 122.1 Ų | 122.1 | 42% | 0.421 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.3 | -38.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I400 R401 Q408 | I400-A404 WeakPolarHBondContact O-CB 3.37Å; I400-A404 PolarHBondContact O-N 3.2Å; R401-A404 PolarHBondContact O-N 3.03Å; A404-Q408 PolarHBondContact O-N 3.21Å |
| 405 | Q | 78.9 | Confident | 79.8 | Confident | 117 Ų | 117 | 123.5 Ų | 123.5 | 55% | 0.547 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.7 | -40.2 | 173.2 | -73.4 | 173.7 | -9.2 | 0 | 0 | 112.2 | R401 K402 M403 L407 Q408 V409 | R401-Q405 WeakPolarHBondContact O-CG 3.3Å; R401-Q405 PolarHBondContact O-N 3.47Å; K402-Q405 PolarHBondContact O-N 3.44Å; M403-Q405 VanDerWaalsContact C-N 3.3Å; M403-Q405 PolarHBondContact O-N 3.35Å; Q405-L407 VanDerWaalsContact C-N 3.35Å; Q405-L407 PolarHBondContact O-N 3.02Å; Q405-Q408 PolarHBondContact O-N 3.17Å; Q405-V409 WeakPolarHBondContact O-CG2 3.34Å; Q405-V409 PolarHBondContact O-N 3.49Å |
| 406 | M | 76 | Confident | 79 | Confident | 143 Ų | 143 | 123.1 Ų | 123.1 | 70% | 0.704 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.4 | -36.8 | 176.4 | -71.4 | -171.3 | 179.3 | 0 | 0 | 112.6 | K402 M403 Q408 V409 | K402-M406 WeakPolarHBondContact O-CG 3.27Å; K402-M406 PolarHBondContact O-N 3.41Å; M403-M406 PolarHBondContact O-N 3.37Å; M403-M406 VanDerWaalsContact O-N 3.17Å; M406-Q408 VanDerWaalsContact C-N 3.31Å; M406-Q408 PolarHBondContact O-N 3.46Å; M406-V409 PolarHBondContact O-N 3.45Å |
| 407 | L | 72.4 | Confident | 78.1 | Confident | 121 Ų | 121 | 124.1 Ų | 124.1 | 63% | 0.634 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.8 | -20.1 | 174.9 | -79.5 | 160.2 | 0 | 0 | 0 | 113.8 | M403 Q405 | M403-L407 PolarHBondContact O-N 3.45Å; Q405-L407 VanDerWaalsContact C-N 3.35Å; Q405-L407 PolarHBondContact O-N 3.02Å |
| 408 | Q | 60.2 | Low | 77.1 | Confident | 166 Ų | 166 | 126.8 Ų | 126.8 | 78% | 0.776 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -12.1 | 172.5 | -82.5 | -175.6 | -16.5 | 0 | 0 | 113.7 | A404 Q405 M406 | A404-Q408 PolarHBondContact O-N 3.21Å; Q405-Q408 PolarHBondContact O-N 3.17Å; M406-Q408 VanDerWaalsContact C-N 3.31Å; M406-Q408 PolarHBondContact O-N 3.46Å |
| 409 | V | 56.1 | Low | 75.9 | Confident | 133 Ų | 133 | 128.3 Ų | 128.3 | 81% | 0.806 | 63% | 0.629 | S | S | * | * | trans | -102.5 | -2 | -179.6 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | Q405 M406 | Q405-V409 WeakPolarHBondContact O-CG2 3.34Å; Q405-V409 PolarHBondContact O-N 3.49Å; M406-V409 PolarHBondContact O-N 3.45Å | ||
| 410 | Q | 42.2 | Very low | 74.5 | Confident | 217 Ų | 217 | 130.1 Ų | 130.1 | 100% | 1.014 | 64% | 0.64 | S | S | * | * | trans | -97.4 | 0 | 166.2 | -116.3 | -180 | -20.3 | 0 | 0 | 110.2 |
Retrieved 410 of 410 residues in 304.5 ms
(Link to these results)