| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.3 | Very low | 58.6 | Low | 191 Ų | 191 | 87.5 Ų | 87.5 | 94% | 0.941 | 49% | 0.487 | S | S | * | . | 0 | -76.5 | 0 | -69.2 | -133.2 | 155.9 | 0 | 0 | 112.6 | M3 D4 T5 | M1-M3 VanDerWaalsContact C-N 3.31Å; M1-M3 PolarHBondContact O-N 3.49Å; M1-D4 PolarHBondContact N-OD2 2.9Å; M1-D4 PolarHBondContact O-N 2.98Å; M1-T5 PolarHBondContact O-N 3.38Å; M1-T5 VanDerWaalsContact O-N 3.09Å; M1-T5 PolarHBondContact O-OG1 3.43Å; M1-T5 VanDerWaalsContact O-OG1 3.1Å | |||
| 2 | A | 42.9 | Very low | 60.6 | Low | 84 Ų | 84 | 84.3 Ų | 84.3 | 69% | 0.694 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59 | -37.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T5 S6 | A2-T5 WeakPolarHBondContact CA-OG1 3.09Å; A2-T5 PolarHBondContact O-OG1 2.69Å; A2-S6 PolarHBondContact O-N 3.13Å; A2-S6 VanDerWaalsContact O-N 3.16Å; A2-S6 PolarHBondContact O-OG 3.23Å |
| 3 | M | 43 | Very low | 62.5 | Low | 112 Ų | 112 | 78.4 Ų | 78.4 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -69.6 | -32.9 | 173.3 | -83.7 | -163.4 | 172 | 0 | 0 | 114 | M1 S6 N7 R42 | M1-M3 VanDerWaalsContact C-N 3.31Å; M1-M3 PolarHBondContact O-N 3.49Å; M3-S6 WeakPolarHBondContact CA-OG 3.02Å; M3-S6 PolarHBondContact O-N 3.48Å; M3-S6 PolarHBondContact O-OG 3.26Å; M3-N7 PolarHBondContact O-N 3.38Å; M3-R42 HydrophobicContact CE-CB 4.24Å; M3-R42 HydrophobicContact CE-CG 4.42Å |
| 4 | D | 50.7 | Low | 64.2 | Low | 101 Ų | 101 | 73.1 Ų | 73.1 | 54% | 0.54 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.5 | -35.3 | 179.2 | -60.4 | -58.3 | 0 | 0 | 0 | 111.1 | M1 K8 | M1-D4 PolarHBondContact N-OD2 2.9Å; M1-D4 PolarHBondContact O-N 2.98Å; D4-K8 WeakPolarHBondContact O-CG 3.07Å; D4-K8 PolarHBondContact O-N 3.27Å; D4-K8 VanDerWaalsContact O-N 3.16Å |
| 5 | T | 53.3 | Low | 65.6 | Low | 95 Ų | 95 | 76.7 Ų | 76.7 | 58% | 0.583 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68 | -39.9 | 173.5 | 41 | 0 | 0 | 0 | 0 | 111.9 | M1 A2 K8 S9 | M1-T5 PolarHBondContact O-N 3.38Å; M1-T5 VanDerWaalsContact O-N 3.09Å; M1-T5 PolarHBondContact O-OG1 3.43Å; M1-T5 VanDerWaalsContact O-OG1 3.1Å; A2-T5 WeakPolarHBondContact CA-OG1 3.09Å; A2-T5 PolarHBondContact O-OG1 2.69Å; T5-K8 PolarHBondContact O-N 3.36Å; T5-S9 PolarHBondContact O-N 2.92Å |
| 6 | S | 58.3 | Low | 67 | Low | 39 Ų | 39 | 77.9 Ų | 77.9 | 27% | 0.273 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 176.7 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | A2 M3 K8 S9 L10 | A2-S6 PolarHBondContact O-N 3.13Å; A2-S6 VanDerWaalsContact O-N 3.16Å; A2-S6 PolarHBondContact O-OG 3.23Å; M3-S6 WeakPolarHBondContact CA-OG 3.02Å; M3-S6 PolarHBondContact O-N 3.48Å; M3-S6 PolarHBondContact O-OG 3.26Å; S6-K8 PolarHBondContact O-N 2.87Å; S6-S9 WeakPolarHBondContact O-CB 3.38Å; S6-S9 PolarHBondContact O-N 2.91Å; S6-L10 WeakPolarHBondContact O-CB 3.41Å; S6-L10 PolarHBondContact O-N 3.23Å |
| 7 | N | 59.5 | Low | 68.3 | Low | 69 Ų | 69 | 73.5 Ų | 73.5 | 37% | 0.369 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.5 | -37.6 | 178.1 | -78.8 | -6 | 0 | 0 | 0 | 112.5 | M3 T11 | M3-N7 PolarHBondContact O-N 3.38Å; N7-T11 PolarHBondContact O-N 2.66Å; N7-T11 PolarHBondContact O-OG1 2.7Å |
| 8 | K | 63.3 | Low | 69.5 | Low | 165 Ų | 165 | 73.2 Ų | 73.2 | 72% | 0.717 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -65.2 | -41.6 | 172.8 | -75 | -178.2 | 179.6 | -177.7 | 0 | 112 | D4 T5 S6 T11 S12 | D4-K8 WeakPolarHBondContact O-CG 3.07Å; D4-K8 PolarHBondContact O-N 3.27Å; D4-K8 VanDerWaalsContact O-N 3.16Å; T5-K8 PolarHBondContact O-N 3.36Å; S6-K8 PolarHBondContact O-N 2.87Å; K8-T11 PolarHBondContact O-N 2.71Å; K8-S12 PolarHBondContact O-N 3.46Å |
| 9 | S | 72.8 | Confident | 70.5 | Confident | 44 Ų | 44 | 70.6 Ų | 70.6 | 31% | 0.308 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.4 | -53.8 | 173.4 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | T5 S6 T11 S12 L13 E35 | T5-S9 PolarHBondContact O-N 2.92Å; S6-S9 WeakPolarHBondContact O-CB 3.38Å; S6-S9 PolarHBondContact O-N 2.91Å; S9-T11 PolarHBondContact O-N 3.14Å; S9-S12 PolarHBondContact O-N 3.36Å; S9-S12 VanDerWaalsContact O-N 3.13Å; S9-S12 PolarHBondContact O-OG 2.79Å; S9-L13 PolarHBondContact O-N 3.25Å; S9-E35 PolarHBondContact OG-OE1 3.42Å |
| 10 | L | 79.2 | Confident | 71.3 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.016 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59 | -44.1 | -179.3 | -173.2 | 70.3 | 0 | 0 | 0 | 112 | S6 S12 L13 L14 L32 L43 V51 | S6-L10 WeakPolarHBondContact O-CB 3.41Å; S6-L10 PolarHBondContact O-N 3.23Å; L10-S12 VanDerWaalsContact C-N 3.29Å; L10-S12 PolarHBondContact O-N 2.72Å; L10-L13 WeakPolarHBondContact O-CB 3.46Å; L10-L13 PolarHBondContact O-N 3.08Å; L10-L13 VanDerWaalsContact O-N 3.16Å; L10-L14 HydrophobicContact CD2-CD1 4.5Å; L10-L14 HydrophobicContact CG-CD1 4.05Å; L10-L14 HydrophobicContact CG-CG 4.35Å; L10-L14 VanDerWaalsContact O-CG 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 3.07Å; L10-L32 HydrophobicContact CD1-CD1 3.74Å; L10-L43 HydrophobicContact CD2-CD2 3.39Å; L10-V51 HydrophobicContact CD1-CG2 4.44Å; L10-V51 HydrophobicContact CD2-CG2 4.45Å |
| 11 | T | 80.2 | Confident | 72.2 | Confident | 60 Ų | 60 | 72.2 Ų | 72.2 | 37% | 0.368 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 179.5 | -45.3 | 0 | 0 | 0 | 0 | 111.2 | N7 K8 S9 L14 E15 | N7-T11 PolarHBondContact O-N 2.66Å; N7-T11 PolarHBondContact O-OG1 2.7Å; K8-T11 PolarHBondContact O-N 2.71Å; S9-T11 PolarHBondContact O-N 3.14Å; T11-L14 PolarHBondContact O-N 3.23Å; T11-E15 PolarHBondContact O-N 2.93Å; T11-E15 VanDerWaalsContact O-N 3.15Å |
| 12 | S | 83 | Confident | 74.6 | Confident | 48 Ų | 48 | 66 Ų | 66 | 34% | 0.336 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.4 | -35.1 | 176.7 | 80 | 0 | 0 | 0 | 0 | 113.1 | K8 S9 L10 K16 | K8-S12 PolarHBondContact O-N 3.46Å; S9-S12 PolarHBondContact O-N 3.36Å; S9-S12 VanDerWaalsContact O-N 3.13Å; S9-S12 PolarHBondContact O-OG 2.79Å; L10-S12 VanDerWaalsContact C-N 3.29Å; L10-S12 PolarHBondContact O-N 2.72Å; S12-K16 WeakPolarHBondContact O-CG 3.28Å; S12-K16 PolarHBondContact O-N 2.97Å |
| 13 | L | 85.3 | Confident | 76.9 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 173.8 | -73.2 | 170.8 | 0 | 0 | 0 | 110.9 | S9 L10 E15 K16 M17 D31 E35 | S9-L13 PolarHBondContact O-N 3.25Å; L10-L13 WeakPolarHBondContact O-CB 3.46Å; L10-L13 PolarHBondContact O-N 3.08Å; L10-L13 VanDerWaalsContact O-N 3.16Å; L13-E15 VanDerWaalsContact C-N 3.28Å; L13-E15 PolarHBondContact O-N 3.01Å; L13-K16 PolarHBondContact O-N 2.79Å; L13-K16 VanDerWaalsContact O-N 3.13Å; L13-M17 WeakPolarHBondContact O-CG 3.47Å; L13-M17 PolarHBondContact O-N 3.22Å; L13-D31 HydrophobicContact CD1-CB 4.39Å; L13-D31 HydrophobicContact CD2-CB 3.58Å; L13-E35 HydrophobicContact CD1-CG 4.36Å |
| 14 | L | 85.4 | Confident | 79.1 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.6 | -31 | -180 | -65.4 | 171 | 0 | 0 | 0 | 112.9 | L10 T11 M17 R50 V51 L54 | L10-L14 HydrophobicContact CD2-CD1 4.5Å; L10-L14 HydrophobicContact CG-CD1 4.05Å; L10-L14 HydrophobicContact CG-CG 4.35Å; L10-L14 VanDerWaalsContact O-CG 3.23Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 3.07Å; T11-L14 PolarHBondContact O-N 3.23Å; L14-M17 HydrophobicContact CD2-SD 3.86Å; L14-R50 HydrophobicContact CD1-CG 4.2Å; L14-V51 HydrophobicContact CD1-CG2 4.21Å; L14-V51 HydrophobicContact CD2-CB 4.41Å; L14-V51 HydrophobicContact CD2-CG2 3.71Å; L14-L54 HydrophobicContact CB-CD1 3.8Å; L14-L54 HydrophobicContact CD2-CD1 3.59Å; L14-L54 HydrophobicContact CG-CD1 4.22Å |
| 15 | E | 86.5 | Confident | 81.2 | Confident | 127 Ų | 127 | 64.3 Ų | 64.3 | 59% | 0.593 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -69.3 | -43 | 172.8 | -74 | 175.4 | -179.6 | 0 | 0 | 111.8 | T11 L13 M17 V18 | T11-E15 PolarHBondContact O-N 2.93Å; T11-E15 VanDerWaalsContact O-N 3.15Å; L13-E15 VanDerWaalsContact C-N 3.28Å; L13-E15 PolarHBondContact O-N 3.01Å; E15-M17 VanDerWaalsContact C-N 3.28Å; E15-M17 PolarHBondContact O-N 3.3Å; E15-V18 PolarHBondContact O-N 3.18Å; E15-V18 VanDerWaalsContact O-N 3.15Å |
| 16 | K | 88 | Confident | 83 | Confident | 96 Ų | 96 | 63.1 Ų | 63.1 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.3 | -27.7 | 177.7 | -68.5 | 173.9 | -177.8 | 178.5 | 0 | 113.2 | S12 L13 V18 A19 A28 | S12-K16 WeakPolarHBondContact O-CG 3.28Å; S12-K16 PolarHBondContact O-N 2.97Å; L13-K16 PolarHBondContact O-N 2.79Å; L13-K16 VanDerWaalsContact O-N 3.13Å; K16-V18 PolarHBondContact O-N 3.47Å; K16-A19 WeakPolarHBondContact O-CB 3.16Å; K16-A19 PolarHBondContact O-N 3.3Å; K16-A19 VanDerWaalsContact O-N 3.07Å; K16-A28 HydrophobicContact CB-CB 3.64Å |
| 17 | M | 88.6 | Confident | 84.6 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.8 | 173.7 | -72.2 | 176.8 | 75.3 | 0 | 0 | 113.7 | L13 L14 E15 R25 A28 M29 L32 L54 I55 L58 | L13-M17 WeakPolarHBondContact O-CG 3.47Å; L13-M17 PolarHBondContact O-N 3.22Å; L14-M17 HydrophobicContact CD2-SD 3.86Å; E15-M17 VanDerWaalsContact C-N 3.28Å; E15-M17 PolarHBondContact O-N 3.3Å; M17-R25 WeakPolarHBondContact O-CD 3.32Å; M17-R25 WeakPolarHBondContact O-CG 3.37Å; M17-A28 HydrophobicContact CG-CB 3.86Å; M17-M29 HydrophobicContact CE-SD 3.67Å; M17-L32 HydrophobicContact CE-CD2 3.9Å; M17-L32 HydrophobicContact SD-CD2 3.7Å; M17-L54 HydrophobicContact CE-CB 3.98Å; M17-I55 HydrophobicContact CE-CG1 3.99Å; M17-L58 HydrophobicContact CB-CD1 4.24Å; M17-L58 HydrophobicContact CE-CD1 3.39Å; M17-L58 HydrophobicContact CE-CG 4.5Å; M17-L58 HydrophobicContact CG-CD1 4.41Å |
| 18 | V | 89 | Confident | 86.1 | Confident | 69 Ų | 69 | 63.5 Ų | 63.5 | 42% | 0.418 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 11.2 | 177.8 | -160.2 | 0 | 0 | 0 | 0 | 111.3 | E15 K16 L54 | E15-V18 PolarHBondContact O-N 3.18Å; E15-V18 VanDerWaalsContact O-N 3.15Å; K16-V18 PolarHBondContact O-N 3.47Å; V18-L54 HydrophobicContact CG2-CD2 3.35Å |
| 19 | A | 88.9 | Confident | 87.4 | Confident | 24 Ų | 24 | 55.7 Ų | 55.7 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | trans | -61.2 | 148.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | K16 D21 Y24 R25 | K16-A19 WeakPolarHBondContact O-CB 3.16Å; K16-A19 PolarHBondContact O-N 3.3Å; K16-A19 VanDerWaalsContact O-N 3.07Å; A19-D21 VanDerWaalsContact C-N 3.28Å; A19-Y24 HydrophobicContact CB-CD2 4.45Å; A19-Y24 HydrophobicContact CB-CG 4.49Å; A19-R25 HydrophobicContact CB-CG 4.45Å; A19-R25 WeakPolarHBondContact O-CD 3.33Å; A19-R25 WeakPolarHBondContact O-CG 3.07Å; A19-R25 PolarHBondContact O-NH1 3.06Å | ||
| 20 | A | 87 | Confident | 88.2 | Confident | 102 Ų | 102 | 56.3 Ų | 56.3 | 84% | 0.843 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -65 | -37.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R25 | A20-R25 PolarHBondContact O-NH1 3.33Å; A20-R25 VanDerWaalsContact O-NH1 3.09Å |
| 21 | D | 90.2 | Very high | 88.7 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -70.2 | 129.5 | 178.1 | -164.3 | -30.1 | 0 | 0 | 0 | 111.7 | A19 D23 Y24 R25 | A19-D21 VanDerWaalsContact C-N 3.28Å; D21-D23 VanDerWaalsContact C-N 3.31Å; D21-D23 PolarHBondContact O-N 3.14Å; D21-D23 PolarHBondContact OD1-N 3.13Å; D21-Y24 HydrophobicContact CB-CD2 3.57Å; D21-Y24 HydrophobicContact CB-CE2 4.32Å; D21-Y24 HydrophobicContact CB-CG 4.34Å; D21-R25 WeakPolarHBondContact O-CG 3.5Å; D21-R25 PolarHBondContact O-N 2.92Å |
| 22 | T | 91.1 | Very high | 89.1 | Confident | 61 Ų | 61 | 56.9 Ų | 56.9 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.8 | -35.9 | 177.8 | 48.2 | 0 | 0 | 0 | 0 | 112.3 | R25 F26 | T22-R25 PolarHBondContact O-N 3.46Å; T22-F26 WeakPolarHBondContact O-CB 3.34Å; T22-F26 PolarHBondContact O-N 2.97Å |
| 23 | D | 90.6 | Very high | 89.4 | Confident | 103 Ų | 103 | 54.7 Ų | 54.7 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -69.9 | -40.6 | -176.2 | -69.2 | -10.5 | 0 | 0 | 0 | 110.6 | D21 R25 F26 M27 | D21-D23 VanDerWaalsContact C-N 3.31Å; D21-D23 PolarHBondContact O-N 3.14Å; D21-D23 PolarHBondContact OD1-N 3.13Å; D23-R25 VanDerWaalsContact C-N 3.34Å; D23-R25 PolarHBondContact O-N 3.18Å; D23-F26 PolarHBondContact O-N 2.89Å; D23-M27 WeakPolarHBondContact O-CB 3.21Å; D23-M27 VanDerWaalsContact O-CG 3.27Å; D23-M27 WeakPolarHBondContact O-CG 3.4Å; D23-M27 PolarHBondContact O-N 2.82Å |
| 24 | Y | 90.9 | Very high | 89.5 | Confident | 132 Ų | 132 | 58.1 Ų | 58.1 | 52% | 0.518 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -40.1 | 173.7 | -75.5 | -49.5 | 0 | 0 | 0 | 112.2 | A19 D21 A28 | A19-Y24 HydrophobicContact CB-CD2 4.45Å; A19-Y24 HydrophobicContact CB-CG 4.49Å; D21-Y24 HydrophobicContact CB-CD2 3.57Å; D21-Y24 HydrophobicContact CB-CE2 4.32Å; D21-Y24 HydrophobicContact CB-CG 4.34Å; Y24-A28 WeakPolarHBondContact O-CB 3.4Å; Y24-A28 PolarHBondContact O-N 3.26Å |
| 25 | R | 93.8 | Very high | 89.5 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 10% | 0.102 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 175.3 | -63.6 | -159 | -61.1 | -96.3 | 3.9 | 111.1 | M17 A19 A20 D21 T22 D23 A28 M29 D61 V66 | M17-R25 WeakPolarHBondContact O-CD 3.32Å; M17-R25 WeakPolarHBondContact O-CG 3.37Å; A19-R25 HydrophobicContact CB-CG 4.45Å; A19-R25 WeakPolarHBondContact O-CD 3.33Å; A19-R25 WeakPolarHBondContact O-CG 3.07Å; A19-R25 PolarHBondContact O-NH1 3.06Å; A20-R25 PolarHBondContact O-NH1 3.33Å; A20-R25 VanDerWaalsContact O-NH1 3.09Å; D21-R25 WeakPolarHBondContact O-CG 3.5Å; D21-R25 PolarHBondContact O-N 2.92Å; T22-R25 PolarHBondContact O-N 3.46Å; D23-R25 VanDerWaalsContact C-N 3.34Å; D23-R25 PolarHBondContact O-N 3.18Å; R25-A28 PolarHBondContact O-N 3.41Å; R25-M29 VanDerWaalsContact O-CB 3.25Å; R25-M29 WeakPolarHBondContact O-CB 3.25Å; R25-M29 PolarHBondContact O-N 3.31Å; R25-D61 IonicContact CZ-OD1 3.71Å; R25-D61 IonicContact CZ-OD2 2.8Å; R25-D61 IonicContact NE-OD1 3.75Å; R25-D61 IonicContact NE-OD2 2.93Å; R25-D61 PolarHBondContact NE-OD2 3.41Å; R25-D61 VanDerWaalsContact NH2-CG 3.3Å; R25-D61 IonicContact NH2-OD1 2.97Å; R25-D61 PolarHBondContact NH2-OD1 2.97Å; R25-D61 IonicContact NH2-OD2 2.89Å; R25-D61 PolarHBondContact NH2-OD2 3.3Å; R25-V66 HydrophobicContact CB-CG1 4.37Å; R25-V66 HydrophobicContact CB-CG2 4.35Å |
| 26 | F | 92 | Very high | 89.4 | Confident | 69 Ų | 69 | 53.9 Ų | 53.9 | 30% | 0.303 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.3 | -50.7 | 177.7 | -178.8 | -84.4 | 0 | 0 | 0 | 111.8 | T22 D23 M29 N30 E65 V66 L69 | T22-F26 WeakPolarHBondContact O-CB 3.34Å; T22-F26 PolarHBondContact O-N 2.97Å; D23-F26 PolarHBondContact O-N 2.89Å; F26-M29 PolarHBondContact O-N 3.28Å; F26-N30 PolarHBondContact O-N 3.22Å; F26-E65 HydrophobicContact CD2-CB 4.06Å; F26-E65 HydrophobicContact CE2-CB 4.1Å; F26-V66 HydrophobicContact CB-CG2 4.34Å; F26-L69 HydrophobicContact CD1-CD1 4.19Å; F26-L69 HydrophobicContact CD2-CD1 3.36Å; F26-L69 HydrophobicContact CD2-CG 4.28Å; F26-L69 HydrophobicContact CE1-CD1 4.23Å; F26-L69 HydrophobicContact CE2-CD1 3.42Å; F26-L69 VanDerWaalsContact CE2-CD1 3.42Å; F26-L69 HydrophobicContact CE2-CG 4.04Å; F26-L69 HydrophobicContact CG-CD1 3.78Å; F26-L69 HydrophobicContact CZ-CD1 3.86Å; F26-L69 WeakPolarHBondContact O-CD1 3.46Å |
| 27 | M | 91.3 | Very high | 89.1 | Confident | 116 Ų | 116 | 54.8 Ų | 54.8 | 57% | 0.571 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.5 | -47.4 | 178.5 | -69.1 | -176.9 | 103.5 | 0 | 0 | 111.5 | D23 M29 N30 D31 | D23-M27 WeakPolarHBondContact O-CB 3.21Å; D23-M27 VanDerWaalsContact O-CG 3.27Å; D23-M27 WeakPolarHBondContact O-CG 3.4Å; D23-M27 PolarHBondContact O-N 2.82Å; M27-M29 VanDerWaalsContact C-N 3.27Å; M27-M29 PolarHBondContact O-N 2.75Å; M27-N30 PolarHBondContact O-N 3.45Å; M27-D31 WeakPolarHBondContact O-CB 3.5Å; M27-D31 VanDerWaalsContact O-CG 3.31Å; M27-D31 PolarHBondContact O-N 3.05Å |
| 28 | A | 90.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.5 | -37 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K16 M17 Y24 R25 L32 | K16-A28 HydrophobicContact CB-CB 3.64Å; M17-A28 HydrophobicContact CG-CB 3.86Å; Y24-A28 WeakPolarHBondContact O-CB 3.4Å; Y24-A28 PolarHBondContact O-N 3.26Å; R25-A28 PolarHBondContact O-N 3.41Å; A28-L32 VanDerWaalsContact O-CB 3.31Å; A28-L32 WeakPolarHBondContact O-CB 3.05Å; A28-L32 PolarHBondContact O-N 2.95Å |
| 29 | M | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 176.7 | -163.4 | 69.7 | -144.2 | 0 | 0 | 111.8 | M17 R25 F26 M27 L32 I33 I55 L58 L69 S73 | M17-M29 HydrophobicContact CE-SD 3.67Å; R25-M29 VanDerWaalsContact O-CB 3.25Å; R25-M29 WeakPolarHBondContact O-CB 3.25Å; R25-M29 PolarHBondContact O-N 3.31Å; F26-M29 PolarHBondContact O-N 3.28Å; M27-M29 VanDerWaalsContact C-N 3.27Å; M27-M29 PolarHBondContact O-N 2.75Å; M29-L32 HydrophobicContact CE-CD2 4.48Å; M29-L32 PolarHBondContact O-N 3.19Å; M29-I33 VanDerWaalsContact O-CG1 3.27Å; M29-I33 WeakPolarHBondContact O-CG1 3.45Å; M29-I33 PolarHBondContact O-N 3.47Å; M29-I55 HydrophobicContact CE-CD1 4.28Å; M29-I55 HydrophobicContact CE-CG1 3.99Å; M29-L58 HydrophobicContact SD-CD1 3.68Å; M29-L69 HydrophobicContact CB-CB 4.14Å; M29-L69 HydrophobicContact CB-CD1 4.08Å; M29-L69 HydrophobicContact CG-CB 3.5Å; M29-L69 HydrophobicContact CG-CD1 4.35Å; M29-S73 WeakPolarHBondContact CE-OG 3.32Å |
| 30 | N | 90 | Very high | 86.4 | Confident | 58 Ų | 58 | 66 Ų | 66 | 31% | 0.31 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.8 | -41.3 | 178.4 | -155.4 | 26.1 | 0 | 0 | 0 | 111.5 | F26 M27 I33 N34 L69 | F26-N30 PolarHBondContact O-N 3.22Å; M27-N30 PolarHBondContact O-N 3.45Å; N30-I33 PolarHBondContact O-N 3.07Å; N30-N34 PolarHBondContact O-N 3.23Å; N30-N34 PolarHBondContact O-ND2 3.41Å; N30-L69 HydrophobicContact CB-CD1 4.32Å |
| 31 | D | 89.6 | Confident | 85.6 | Confident | 74 Ų | 74 | 62.3 Ų | 62.3 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 174.1 | -71.8 | -16 | 0 | 0 | 0 | 111.6 | L13 M27 I33 N34 E35 | L13-D31 HydrophobicContact CD1-CB 4.39Å; L13-D31 HydrophobicContact CD2-CB 3.58Å; M27-D31 WeakPolarHBondContact O-CB 3.5Å; M27-D31 VanDerWaalsContact O-CG 3.31Å; M27-D31 PolarHBondContact O-N 3.05Å; D31-I33 PolarHBondContact O-N 3.38Å; D31-N34 WeakPolarHBondContact O-CB 3.47Å; D31-N34 PolarHBondContact O-N 3.3Å; D31-E35 PolarHBondContact O-N 3.18Å |
| 32 | L | 89.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.6 | -179.7 | 64.5 | 0 | 0 | 0 | 112.1 | L10 M17 A28 M29 N34 E35 L36 V51 I55 | L10-L32 HydrophobicContact CD1-CD1 3.74Å; M17-L32 HydrophobicContact CE-CD2 3.9Å; M17-L32 HydrophobicContact SD-CD2 3.7Å; A28-L32 VanDerWaalsContact O-CB 3.31Å; A28-L32 WeakPolarHBondContact O-CB 3.05Å; A28-L32 PolarHBondContact O-N 2.95Å; M29-L32 HydrophobicContact CE-CD2 4.48Å; M29-L32 PolarHBondContact O-N 3.19Å; L32-N34 VanDerWaalsContact C-N 3.3Å; L32-N34 PolarHBondContact O-N 3.43Å; L32-E35 PolarHBondContact O-N 3.42Å; L32-L36 HydrophobicContact CD1-CD1 4.36Å; L32-L36 HydrophobicContact CD1-CG 4.21Å; L32-L36 HydrophobicContact CG-CD1 4.01Å; L32-L36 HydrophobicContact CG-CG 4.31Å; L32-L36 WeakPolarHBondContact O-CB 3.41Å; L32-L36 VanDerWaalsContact O-CG 3.26Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 3.07Å; L32-V51 HydrophobicContact CD2-CG1 4.26Å; L32-I55 HydrophobicContact CD2-CD1 3.97Å; L32-I55 HydrophobicContact CD2-CG1 4.27Å |
| 33 | I | 88.7 | Confident | 83.9 | Confident | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 174.9 | -69.9 | 164.5 | 0 | 0 | 0 | 110.1 | M29 N30 D31 L36 Q37 L69 K72 | M29-I33 VanDerWaalsContact O-CG1 3.27Å; M29-I33 WeakPolarHBondContact O-CG1 3.45Å; M29-I33 PolarHBondContact O-N 3.47Å; N30-I33 PolarHBondContact O-N 3.07Å; D31-I33 PolarHBondContact O-N 3.38Å; I33-L36 PolarHBondContact O-N 3.42Å; I33-Q37 VanDerWaalsContact O-CG 3.32Å; I33-Q37 WeakPolarHBondContact O-CG 3.27Å; I33-Q37 PolarHBondContact O-N 3.39Å; I33-Q37 VanDerWaalsContact O-N 3.15Å; I33-L69 HydrophobicContact CD1-CB 4.28Å; I33-L69 HydrophobicContact CD1-CD2 4.03Å; I33-K72 HydrophobicContact CD1-CB 4.31Å; I33-K72 HydrophobicContact CD1-CD 4.38Å; I33-K72 HydrophobicContact CD1-CG 4.38Å |
| 34 | N | 86.5 | Confident | 83.4 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 43% | 0.433 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 177 | -67.9 | -31.6 | 0 | 0 | 0 | 111 | N30 D31 L32 L36 Q37 V38 | N30-N34 PolarHBondContact O-N 3.23Å; N30-N34 PolarHBondContact O-ND2 3.41Å; D31-N34 WeakPolarHBondContact O-CB 3.47Å; D31-N34 PolarHBondContact O-N 3.3Å; L32-N34 VanDerWaalsContact C-N 3.3Å; L32-N34 PolarHBondContact O-N 3.43Å; N34-L36 PolarHBondContact O-N 3.3Å; N34-Q37 PolarHBondContact O-N 3.14Å; N34-V38 WeakPolarHBondContact O-CG2 3.24Å; N34-V38 PolarHBondContact O-N 2.8Å |
| 35 | E | 85.2 | Confident | 82.9 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 176.9 | -79.2 | -156.8 | 175.7 | 0 | 0 | 112.7 | S9 L13 D31 L32 Q37 V38 L41 | S9-E35 PolarHBondContact OG-OE1 3.42Å; L13-E35 HydrophobicContact CD1-CG 4.36Å; D31-E35 PolarHBondContact O-N 3.18Å; L32-E35 PolarHBondContact O-N 3.42Å; E35-Q37 VanDerWaalsContact C-N 3.26Å; E35-Q37 PolarHBondContact O-N 2.6Å; E35-V38 PolarHBondContact O-N 3.37Å; E35-V38 VanDerWaalsContact O-N 3.12Å; E35-L41 HydrophobicContact CB-CD1 4.48Å |
| 36 | L | 84.7 | Confident | 82.4 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.1 | -28.7 | 178.5 | -73.8 | 170.8 | 0 | 0 | 0 | 112.9 | L32 I33 N34 V38 L41 L43 P76 L77 K80 | L32-L36 HydrophobicContact CD1-CD1 4.36Å; L32-L36 HydrophobicContact CD1-CG 4.21Å; L32-L36 HydrophobicContact CG-CD1 4.01Å; L32-L36 HydrophobicContact CG-CG 4.31Å; L32-L36 WeakPolarHBondContact O-CB 3.41Å; L32-L36 VanDerWaalsContact O-CG 3.26Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 3.07Å; I33-L36 PolarHBondContact O-N 3.42Å; N34-L36 PolarHBondContact O-N 3.3Å; L36-V38 VanDerWaalsContact C-N 3.32Å; L36-L41 HydrophobicContact CD2-CD2 3.97Å; L36-L43 HydrophobicContact CD2-CD1 4.24Å; L36-P76 HydrophobicContact CB-CB 3.81Å; L36-L77 HydrophobicContact CD1-CB 4.23Å; L36-L77 HydrophobicContact CD1-CD1 4.31Å; L36-L77 HydrophobicContact CD2-CD1 4.17Å; L36-K80 WeakPolarHBondContact O-CE 3.15Å |
| 37 | Q | 83 | Confident | 82.1 | Confident | 114 Ų | 114 | 66.2 Ų | 66.2 | 53% | 0.533 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -75.8 | -20.6 | 175.9 | -71.9 | 176.6 | 0.3 | 0 | 0 | 112.7 | I33 N34 E35 N39 P76 | I33-Q37 VanDerWaalsContact O-CG 3.32Å; I33-Q37 WeakPolarHBondContact O-CG 3.27Å; I33-Q37 PolarHBondContact O-N 3.39Å; I33-Q37 VanDerWaalsContact O-N 3.15Å; N34-Q37 PolarHBondContact O-N 3.14Å; E35-Q37 VanDerWaalsContact C-N 3.26Å; E35-Q37 PolarHBondContact O-N 2.6Å; Q37-N39 PolarHBondContact O-N 3.08Å; Q37-P76 HydrophobicContact CG-CB 4.32Å; Q37-P76 HydrophobicContact CG-CG 4.08Å |
| 38 | V | 78.3 | Confident | 81.9 | Confident | 74 Ų | 74 | 60.9 Ų | 60.9 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -77.6 | 123 | 176.2 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | N34 E35 L36 T40 L41 | N34-V38 WeakPolarHBondContact O-CG2 3.24Å; N34-V38 PolarHBondContact O-N 2.8Å; E35-V38 PolarHBondContact O-N 3.37Å; E35-V38 VanDerWaalsContact O-N 3.12Å; L36-V38 VanDerWaalsContact C-N 3.32Å; V38-T40 HydrophobicContact CG1-CG2 4.42Å; V38-T40 WeakPolarHBondContact CG1-OG1 3.37Å; V38-T40 PolarHBondContact O-N 3.36Å; V38-L41 PolarHBondContact O-N 2.96Å |
| 39 | N | 63.2 | Low | 81.9 | Confident | 140 Ų | 140 | 66 Ų | 66 | 75% | 0.749 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -6.7 | -177.1 | -81.8 | -25.3 | 0 | 0 | 0 | 115.7 | Q37 K80 | Q37-N39 PolarHBondContact O-N 3.08Å; N39-K80 PolarHBondContact OD1-NZ 3.46Å |
| 40 | T | 67.1 | Low | 81.8 | Confident | 118 Ų | 118 | 72 Ų | 72 | 72% | 0.724 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -15.3 | -179.2 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | V38 R42 | V38-T40 HydrophobicContact CG1-CG2 4.42Å; V38-T40 WeakPolarHBondContact CG1-OG1 3.37Å; V38-T40 PolarHBondContact O-N 3.36Å; T40-R42 PolarHBondContact O-N 3.34Å |
| 41 | L | 69.7 | Low | 81.9 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 12% | 0.12 | 34% | 0.339 | C | S | . | . | trans | -72.5 | 118.3 | -178.5 | -162.6 | 88.3 | 0 | 0 | 0 | 110.3 | E35 L36 V38 L43 | E35-L41 HydrophobicContact CB-CD1 4.48Å; L36-L41 HydrophobicContact CD2-CD2 3.97Å; V38-L41 PolarHBondContact O-N 2.96Å; L41-L43 HydrophobicContact CD2-CD1 4.38Å; L41-L43 HydrophobicContact CD2-CD2 3.94Å; L41-L43 HydrophobicContact CD2-CG 4.02Å; L41-L43 HydrophobicContact CG-CD2 4.46Å | ||
| 42 | R | 70.1 | Confident | 82 | Confident | 197 Ų | 197 | 65.9 Ų | 65.9 | 74% | 0.743 | 32% | 0.321 | S | S | * | . | trans | -113.8 | 109.6 | 170.1 | -72.3 | -171.2 | 177.2 | 175.1 | -0.4 | 109 | M3 T40 | M3-R42 HydrophobicContact CE-CB 4.24Å; M3-R42 HydrophobicContact CE-CG 4.42Å; T40-R42 PolarHBondContact O-N 3.34Å | ||
| 43 | L | 75.6 | Confident | 82.2 | Confident | 21 Ų | 21 | 67.8 Ų | 67.8 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | trans | -82 | 135 | 173.6 | -61.5 | 170 | 0 | 0 | 0 | 109 | L10 L36 L41 E48 V51 | L10-L43 HydrophobicContact CD2-CD2 3.39Å; L36-L43 HydrophobicContact CD2-CD1 4.24Å; L41-L43 HydrophobicContact CD2-CD1 4.38Å; L41-L43 HydrophobicContact CD2-CD2 3.94Å; L41-L43 HydrophobicContact CD2-CG 4.02Å; L41-L43 HydrophobicContact CG-CD2 4.46Å; L43-E48 HydrophobicContact CB-CG 3.53Å; L43-E48 HydrophobicContact CD1-CG 4.33Å; L43-V51 HydrophobicContact CD2-CG2 4.37Å | ||
| 44 | D | 80.6 | Confident | 82.3 | Confident | 78 Ų | 78 | 68.8 Ų | 68.8 | 42% | 0.417 | 35% | 0.346 | S | S | . | . | trans | -83.9 | 167.6 | 166.2 | 74.7 | -32.2 | 0 | 0 | 0 | 110.2 | Q46 S47 E48 | D44-Q46 PolarHBondContact O-N 3.12Å; D44-Q46 VanDerWaalsContact O-N 3.15Å; D44-S47 PolarHBondContact O-N 3.02Å; D44-S47 VanDerWaalsContact O-N 3.13Å; D44-S47 WeakPolarHBondContact OD1-CB 3.28Å; D44-S47 PolarHBondContact OD1-N 3.39Å; D44-S47 PolarHBondContact OD1-OG 3.46Å; D44-E48 WeakPolarHBondContact O-CG 3.4Å; D44-E48 PolarHBondContact O-N 3.21Å | ||
| 45 | L | 80.9 | Confident | 82.7 | Confident | 70 Ų | 70 | 65 Ų | 65 | 37% | 0.366 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.4 | -31.5 | -173.2 | -174.1 | 65.9 | 0 | 0 | 0 | 113.2 | K49 | L45-K49 WeakPolarHBondContact O-CG 3.4Å; L45-K49 PolarHBondContact O-N 3.06Å |
| 46 | Q | 83.6 | Confident | 83.1 | Confident | 155 Ų | 155 | 63.5 Ų | 63.5 | 72% | 0.724 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -73.5 | -43.5 | 176.8 | -69.5 | -169.1 | -9.4 | 0 | 0 | 111.7 | D44 K49 R50 | D44-Q46 PolarHBondContact O-N 3.12Å; D44-Q46 VanDerWaalsContact O-N 3.15Å; Q46-K49 PolarHBondContact O-N 3.22Å; Q46-R50 PolarHBondContact O-N 3.37Å |
| 47 | S | 84.2 | Confident | 83.4 | Confident | 26 Ų | 26 | 71 Ų | 71 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 175.5 | -56 | 0 | 0 | 0 | 0 | 111.6 | D44 K49 R50 V51 | D44-S47 PolarHBondContact O-N 3.02Å; D44-S47 VanDerWaalsContact O-N 3.13Å; D44-S47 WeakPolarHBondContact OD1-CB 3.28Å; D44-S47 PolarHBondContact OD1-N 3.39Å; D44-S47 PolarHBondContact OD1-OG 3.46Å; S47-K49 PolarHBondContact O-N 2.97Å; S47-R50 PolarHBondContact O-N 2.95Å; S47-V51 WeakPolarHBondContact O-CB 3.34Å; S47-V51 WeakPolarHBondContact O-CG2 3.33Å; S47-V51 PolarHBondContact O-N 3.22Å |
| 48 | E | 87.5 | Confident | 83.9 | Confident | 3 Ų | 3 | 66 Ų | 66 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.9 | -51.1 | 173.8 | -72.1 | 179.1 | -147.5 | 0 | 0 | 110.6 | L43 D44 R50 V51 V52 K82 Q85 | L43-E48 HydrophobicContact CB-CG 3.53Å; L43-E48 HydrophobicContact CD1-CG 4.33Å; D44-E48 WeakPolarHBondContact O-CG 3.4Å; D44-E48 PolarHBondContact O-N 3.21Å; E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 3.06Å; E48-V51 PolarHBondContact O-N 3.45Å; E48-V52 WeakPolarHBondContact O-CB 3.47Å; E48-V52 WeakPolarHBondContact O-CG2 3.29Å; E48-V52 PolarHBondContact O-N 3.12Å; E48-K82 WeakPolarHBondContact OE1-CE 3.42Å; E48-K82 PolarHBondContact OE2-N 3.47Å; E48-Q85 HydrophobicContact CB-CG 4.02Å |
| 49 | K | 90.4 | Very high | 84.5 | Confident | 108 Ų | 108 | 62.5 Ų | 62.5 | 47% | 0.47 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.6 | -41.9 | 177.3 | -79.2 | 177.6 | -179.1 | -174.2 | 0 | 112.7 | L45 Q46 S47 G53 Q85 | L45-K49 WeakPolarHBondContact O-CG 3.4Å; L45-K49 PolarHBondContact O-N 3.06Å; Q46-K49 PolarHBondContact O-N 3.22Å; S47-K49 PolarHBondContact O-N 2.97Å; K49-G53 PolarHBondContact O-N 3Å; K49-Q85 VanDerWaalsContact CG-NE2 3.33Å |
| 50 | R | 89.5 | Confident | 85.8 | Confident | 128 Ų | 128 | 60.7 Ų | 60.7 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.2 | -45.2 | -178.5 | -167.6 | 171.8 | 179.9 | 171.4 | -2.5 | 111.7 | L14 Q46 S47 E48 G53 L54 | L14-R50 HydrophobicContact CD1-CG 4.2Å; Q46-R50 PolarHBondContact O-N 3.37Å; S47-R50 PolarHBondContact O-N 2.95Å; E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 3.06Å; R50-G53 PolarHBondContact O-N 3.23Å; R50-L54 HydrophobicContact CG-CD1 4.24Å; R50-L54 WeakPolarHBondContact O-CB 3.2Å; R50-L54 VanDerWaalsContact O-CG 3.31Å; R50-L54 WeakPolarHBondContact O-CG 3.38Å; R50-L54 PolarHBondContact O-N 3Å |
| 51 | V | 91.1 | Very high | 87 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 176.2 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | L10 L14 L32 L43 S47 E48 G53 L54 I55 L77 | L10-V51 HydrophobicContact CD1-CG2 4.44Å; L10-V51 HydrophobicContact CD2-CG2 4.45Å; L14-V51 HydrophobicContact CD1-CG2 4.21Å; L14-V51 HydrophobicContact CD2-CB 4.41Å; L14-V51 HydrophobicContact CD2-CG2 3.71Å; L32-V51 HydrophobicContact CD2-CG1 4.26Å; L43-V51 HydrophobicContact CD2-CG2 4.37Å; S47-V51 WeakPolarHBondContact O-CB 3.34Å; S47-V51 WeakPolarHBondContact O-CG2 3.33Å; S47-V51 PolarHBondContact O-N 3.22Å; E48-V51 PolarHBondContact O-N 3.45Å; V51-G53 PolarHBondContact O-N 2.84Å; V51-L54 PolarHBondContact O-N 3.16Å; V51-I55 HydrophobicContact CG1-CD1 3.66Å; V51-I55 HydrophobicContact CG1-CG1 4.41Å; V51-I55 VanDerWaalsContact O-CG1 3.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.35Å; V51-I55 PolarHBondContact O-N 3.21Å; V51-L77 HydrophobicContact CG1-CD1 3.73Å |
| 52 | V | 92.9 | Very high | 87.9 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.5 | -49 | 178.9 | 170 | 0 | 0 | 0 | 0 | 111.2 | E48 L54 I55 L56 L77 V81 Q85 I89 | E48-V52 WeakPolarHBondContact O-CB 3.47Å; E48-V52 WeakPolarHBondContact O-CG2 3.29Å; E48-V52 PolarHBondContact O-N 3.12Å; V52-L54 VanDerWaalsContact C-N 3.29Å; V52-L54 PolarHBondContact O-N 2.98Å; V52-I55 PolarHBondContact O-N 3.19Å; V52-L56 HydrophobicContact CG1-CD1 3.77Å; V52-L56 HydrophobicContact CG1-CG 4.3Å; V52-L56 WeakPolarHBondContact O-CB 3.39Å; V52-L56 VanDerWaalsContact O-CG 3.27Å; V52-L56 WeakPolarHBondContact O-CG 3.44Å; V52-L56 PolarHBondContact O-N 3.38Å; V52-L77 HydrophobicContact CG2-CD1 4.48Å; V52-L77 HydrophobicContact CG2-CD2 4.02Å; V52-V81 HydrophobicContact CG2-CG1 4.01Å; V52-Q85 HydrophobicContact CG2-CB 4.25Å; V52-I89 HydrophobicContact CG1-CD1 4.26Å; V52-I89 HydrophobicContact CG1-CG1 3.59Å; V52-I89 HydrophobicContact CG2-CD1 4.06Å; V52-I89 HydrophobicContact CG2-CG1 4.32Å |
| 53 | G | 93 | Very high | 88.8 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.3 | -37.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K49 R50 V51 R57 | K49-G53 PolarHBondContact O-N 3Å; R50-G53 PolarHBondContact O-N 3.23Å; V51-G53 PolarHBondContact O-N 2.84Å; G53-R57 WeakPolarHBondContact O-CB 3.43Å; G53-R57 PolarHBondContact O-N 3.33Å; G53-R57 VanDerWaalsContact O-N 3.11Å |
| 54 | L | 92 | Very high | 89.5 | Confident | 23 Ų | 23 | 53.6 Ų | 53.6 | 12% | 0.12 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.3 | -43.6 | 177.6 | -74.6 | 173.2 | 0 | 0 | 0 | 112.6 | L14 M17 V18 R50 V51 V52 R57 L58 | L14-L54 HydrophobicContact CB-CD1 3.8Å; L14-L54 HydrophobicContact CD2-CD1 3.59Å; L14-L54 HydrophobicContact CG-CD1 4.22Å; M17-L54 HydrophobicContact CE-CB 3.98Å; V18-L54 HydrophobicContact CG2-CD2 3.35Å; R50-L54 HydrophobicContact CG-CD1 4.24Å; R50-L54 WeakPolarHBondContact O-CB 3.2Å; R50-L54 VanDerWaalsContact O-CG 3.31Å; R50-L54 WeakPolarHBondContact O-CG 3.38Å; R50-L54 PolarHBondContact O-N 3Å; V51-L54 PolarHBondContact O-N 3.16Å; V52-L54 VanDerWaalsContact C-N 3.29Å; V52-L54 PolarHBondContact O-N 2.98Å; L54-R57 WeakPolarHBondContact O-CB 3.3Å; L54-R57 PolarHBondContact O-N 3.1Å; L54-R57 VanDerWaalsContact O-N 3.17Å; L54-L58 WeakPolarHBondContact O-CG 3.14Å; L54-L58 PolarHBondContact O-N 3.22Å |
| 55 | I | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 177.5 | -67.2 | 173.8 | 0 | 0 | 0 | 110.4 | M17 M29 L32 V51 V52 R57 L58 L59 S73 L74 L77 | M17-I55 HydrophobicContact CE-CG1 3.99Å; M29-I55 HydrophobicContact CE-CD1 4.28Å; M29-I55 HydrophobicContact CE-CG1 3.99Å; L32-I55 HydrophobicContact CD2-CD1 3.97Å; L32-I55 HydrophobicContact CD2-CG1 4.27Å; V51-I55 HydrophobicContact CG1-CD1 3.66Å; V51-I55 HydrophobicContact CG1-CG1 4.41Å; V51-I55 VanDerWaalsContact O-CG1 3.31Å; V51-I55 WeakPolarHBondContact O-CG1 3.35Å; V51-I55 PolarHBondContact O-N 3.21Å; V52-I55 PolarHBondContact O-N 3.19Å; I55-R57 PolarHBondContact O-N 3.17Å; I55-L58 PolarHBondContact O-N 3.39Å; I55-L58 VanDerWaalsContact O-N 3.07Å; I55-L59 PolarHBondContact O-N 3.43Å; I55-S73 WeakPolarHBondContact CG2-OG 3.33Å; I55-L74 HydrophobicContact CG2-CD2 3.82Å; I55-L74 HydrophobicContact CG2-CG 4.36Å; I55-L77 HydrophobicContact CD1-CD1 4.34Å; I55-L77 HydrophobicContact CD1-CD2 3.6Å; I55-L77 HydrophobicContact CD1-CG 4.43Å |
| 56 | L | 93.4 | Very high | 90.4 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.2 | -32.2 | 176.3 | -67.2 | 176.5 | 0 | 0 | 0 | 112.2 | V52 L59 R60 I89 D92 L93 | V52-L56 HydrophobicContact CG1-CD1 3.77Å; V52-L56 HydrophobicContact CG1-CG 4.3Å; V52-L56 WeakPolarHBondContact O-CB 3.39Å; V52-L56 VanDerWaalsContact O-CG 3.27Å; V52-L56 WeakPolarHBondContact O-CG 3.44Å; V52-L56 PolarHBondContact O-N 3.38Å; L56-L59 HydrophobicContact CD2-CD1 3.88Å; L56-R60 PolarHBondContact O-NH1 2.91Å; L56-I89 HydrophobicContact CD2-CG2 4.46Å; L56-D92 HydrophobicContact CD1-CB 3.87Å; L56-D92 HydrophobicContact CD2-CB 4.26Å; L56-L93 HydrophobicContact CD2-CD2 4.5Å |
| 57 | R | 92 | Very high | 90.8 | Very high | 159 Ų | 159 | 47.3 Ų | 47.3 | 60% | 0.6 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -67.9 | -41.3 | 172.2 | -176.9 | 179.5 | 176.9 | 176.7 | -1.4 | 111.9 | G53 L54 I55 L59 R60 | G53-R57 WeakPolarHBondContact O-CB 3.43Å; G53-R57 PolarHBondContact O-N 3.33Å; G53-R57 VanDerWaalsContact O-N 3.11Å; L54-R57 WeakPolarHBondContact O-CB 3.3Å; L54-R57 PolarHBondContact O-N 3.1Å; L54-R57 VanDerWaalsContact O-N 3.17Å; I55-R57 PolarHBondContact O-N 3.17Å; R57-L59 VanDerWaalsContact C-N 3.29Å; R57-L59 PolarHBondContact O-N 3.06Å; R57-R60 WeakPolarHBondContact O-CB 3.41Å; R57-R60 PolarHBondContact O-N 3.35Å; R57-R60 VanDerWaalsContact O-N 3.08Å |
| 58 | L | 92.9 | Very high | 91.2 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.5 | -17.7 | 180 | -68.6 | 180 | 0 | 0 | 0 | 114 | M17 M29 L54 I55 R60 D61 V66 A70 | M17-L58 HydrophobicContact CB-CD1 4.24Å; M17-L58 HydrophobicContact CE-CD1 3.39Å; M17-L58 HydrophobicContact CE-CG 4.5Å; M17-L58 HydrophobicContact CG-CD1 4.41Å; M29-L58 HydrophobicContact SD-CD1 3.68Å; L54-L58 WeakPolarHBondContact O-CG 3.14Å; L54-L58 PolarHBondContact O-N 3.22Å; I55-L58 PolarHBondContact O-N 3.39Å; I55-L58 VanDerWaalsContact O-N 3.07Å; L58-R60 PolarHBondContact O-N 3.37Å; L58-D61 WeakPolarHBondContact O-CB 3.35Å; L58-D61 PolarHBondContact O-N 3.46Å; L58-D61 VanDerWaalsContact O-N 3.08Å; L58-V66 HydrophobicContact CB-CG1 4.36Å; L58-V66 HydrophobicContact CD1-CG1 4.43Å; L58-V66 HydrophobicContact CD2-CG1 4.04Å; L58-A70 HydrophobicContact CB-CB 3.92Å |
| 59 | L | 91.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -19.8 | 166.5 | -67.8 | 174 | 0 | 0 | 0 | 112.7 | I55 L56 R57 A70 V71 L74 L93 I108 | I55-L59 PolarHBondContact O-N 3.43Å; L56-L59 HydrophobicContact CD2-CD1 3.88Å; R57-L59 VanDerWaalsContact C-N 3.29Å; R57-L59 PolarHBondContact O-N 3.06Å; L59-A70 HydrophobicContact CD2-CB 3.82Å; L59-A70 HydrophobicContact CG-CB 4.27Å; L59-V71 HydrophobicContact CD2-CB 4.43Å; L59-V71 HydrophobicContact CD2-CG2 3.56Å; L59-L74 HydrophobicContact CD1-CD1 4.22Å; L59-L74 HydrophobicContact CD2-CD1 4.28Å; L59-L93 HydrophobicContact CD1-CD2 3.54Å; L59-I108 HydrophobicContact CD2-CG2 4.24Å |
| 60 | R | 91 | Very high | 91.6 | Very high | 102 Ų | 102 | 45.3 Ų | 45.3 | 39% | 0.385 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 18 | 178.4 | -59.2 | 155 | 179.3 | 119.3 | -8.4 | 111.5 | L56 R57 L58 D92 T96 L105 | L56-R60 PolarHBondContact O-NH1 2.91Å; R57-R60 WeakPolarHBondContact O-CB 3.41Å; R57-R60 PolarHBondContact O-N 3.35Å; R57-R60 VanDerWaalsContact O-N 3.08Å; L58-R60 PolarHBondContact O-N 3.37Å; R60-D92 IonicContact CZ-OD1 2.61Å; R60-D92 IonicContact CZ-OD2 3.81Å; R60-D92 IonicContact NH1-OD1 3.94Å; R60-D92 IonicContact NH1-OD2 2.8Å; R60-D92 PolarHBondContact NH1-OD2 3.49Å; R60-D92 IonicContact NH2-OD1 3.75Å; R60-D92 PolarHBondContact NH2-OD1 2.88Å; R60-D92 IonicContact NH2-OD2 3.73Å; R60-D92 PolarHBondContact NH2-OD2 2.93Å; R60-T96 PolarHBondContact NH2-OG1 3.24Å; R60-L105 HydrophobicContact CG-CD1 3.74Å; R60-L105 HydrophobicContact CG-CD2 4.33Å |
| 61 | D | 91.3 | Very high | 91.8 | Very high | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.064 | 23% | 0.225 | C | C | . | . | trans | -67.2 | 144.9 | 178.9 | -161.5 | -85.2 | 0 | 0 | 0 | 110.7 | R25 L58 S63 V66 Q67 | R25-D61 IonicContact CZ-OD1 3.71Å; R25-D61 IonicContact CZ-OD2 2.8Å; R25-D61 IonicContact NE-OD1 3.75Å; R25-D61 IonicContact NE-OD2 2.93Å; R25-D61 PolarHBondContact NE-OD2 3.41Å; R25-D61 VanDerWaalsContact NH2-CG 3.3Å; R25-D61 IonicContact NH2-OD1 2.97Å; R25-D61 PolarHBondContact NH2-OD1 2.97Å; R25-D61 IonicContact NH2-OD2 2.89Å; R25-D61 PolarHBondContact NH2-OD2 3.3Å; L58-D61 WeakPolarHBondContact O-CB 3.35Å; L58-D61 PolarHBondContact O-N 3.46Å; L58-D61 VanDerWaalsContact O-N 3.08Å; D61-S63 PolarHBondContact O-N 3.19Å; D61-S63 WeakPolarHBondContact OD1-CB 3.49Å; D61-S63 PolarHBondContact OD1-N 2.74Å; D61-V66 HydrophobicContact CB-CB 4.19Å; D61-V66 HydrophobicContact CB-CG1 3.97Å; D61-Q67 HydrophobicContact CB-CG 4.25Å; D61-Q67 VanDerWaalsContact O-CD 3.29Å; D61-Q67 WeakPolarHBondContact O-CG 3.38Å; D61-Q67 PolarHBondContact O-NE2 3.37Å | ||
| 62 | P | 88 | Confident | 91.9 | Very high | 123 Ų | 123 | 45.7 Ų | 45.7 | 80% | 0.799 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -65.6 | -22.4 | 174.3 | 25.1 | -35.4 | 0 | 0 | 0 | 113.9 | ||
| 63 | S | 90.2 | Very high | 91.9 | Very high | 27 Ų | 27 | 45.6 Ų | 45.6 | 19% | 0.189 | 25% | 0.25 | C | C | . | . | trans | -87.2 | 120.6 | 177.8 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | D61 E65 V66 Q67 | D61-S63 PolarHBondContact O-N 3.19Å; D61-S63 WeakPolarHBondContact OD1-CB 3.49Å; D61-S63 PolarHBondContact OD1-N 2.74Å; S63-E65 VanDerWaalsContact C-N 3.25Å; S63-E65 PolarHBondContact O-N 2.95Å; S63-E65 PolarHBondContact OG-N 3.34Å; S63-V66 PolarHBondContact O-N 3.32Å; S63-Q67 WeakPolarHBondContact O-CG 3.26Å; S63-Q67 PolarHBondContact O-N 2.89Å | ||
| 64 | G | 89.7 | Confident | 92 | Very high | 48 Ų | 48 | 43.7 Ų | 43.7 | 50% | 0.495 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61 | -29.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | S68 | G64-S68 WeakPolarHBondContact O-CB 3.31Å; G64-S68 PolarHBondContact O-N 2.97Å |
| 65 | E | 89.8 | Confident | 92 | Very high | 130 Ų | 130 | 43 Ų | 43 | 61% | 0.607 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -69 | -41.5 | 176.2 | -64.4 | -170.4 | 167 | 0 | 0 | 111.7 | F26 S63 S68 L69 | F26-E65 HydrophobicContact CD2-CB 4.06Å; F26-E65 HydrophobicContact CE2-CB 4.1Å; S63-E65 VanDerWaalsContact C-N 3.25Å; S63-E65 PolarHBondContact O-N 2.95Å; S63-E65 PolarHBondContact OG-N 3.34Å; E65-S68 PolarHBondContact O-N 3.48Å; E65-L69 PolarHBondContact O-N 3.47Å; E65-L69 VanDerWaalsContact O-N 3.09Å |
| 66 | V | 91.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.9 | -41.4 | 176.9 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | R25 F26 L58 D61 S63 S68 L69 A70 | R25-V66 HydrophobicContact CB-CG1 4.37Å; R25-V66 HydrophobicContact CB-CG2 4.35Å; F26-V66 HydrophobicContact CB-CG2 4.34Å; L58-V66 HydrophobicContact CB-CG1 4.36Å; L58-V66 HydrophobicContact CD1-CG1 4.43Å; L58-V66 HydrophobicContact CD2-CG1 4.04Å; D61-V66 HydrophobicContact CB-CB 4.19Å; D61-V66 HydrophobicContact CB-CG1 3.97Å; S63-V66 PolarHBondContact O-N 3.32Å; V66-S68 VanDerWaalsContact C-N 3.33Å; V66-S68 PolarHBondContact O-N 2.93Å; V66-L69 PolarHBondContact O-N 3.17Å; V66-A70 WeakPolarHBondContact O-CB 3.39Å; V66-A70 PolarHBondContact O-N 3.26Å |
| 67 | Q | 91.7 | Very high | 91.7 | Very high | 39 Ų | 39 | 43.7 Ų | 43.7 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.8 | -44.7 | 173 | -69.8 | 176.1 | -16 | 0 | 0 | 111.8 | D61 S63 L69 A70 V71 I108 | D61-Q67 HydrophobicContact CB-CG 4.25Å; D61-Q67 VanDerWaalsContact O-CD 3.29Å; D61-Q67 WeakPolarHBondContact O-CG 3.38Å; D61-Q67 PolarHBondContact O-NE2 3.37Å; S63-Q67 WeakPolarHBondContact O-CG 3.26Å; S63-Q67 PolarHBondContact O-N 2.89Å; Q67-L69 PolarHBondContact O-N 2.76Å; Q67-A70 WeakPolarHBondContact O-CB 3.24Å; Q67-A70 PolarHBondContact O-N 3.43Å; Q67-V71 WeakPolarHBondContact O-CG2 3.27Å; Q67-V71 PolarHBondContact O-N 3.48Å; Q67-I108 HydrophobicContact CG-CD1 4.48Å |
| 68 | S | 91.5 | Very high | 91.6 | Very high | 79 Ų | 79 | 36.1 Ų | 36.1 | 55% | 0.552 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -61.1 | -43.8 | 178.4 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | G64 E65 V66 V71 K72 | G64-S68 WeakPolarHBondContact O-CB 3.31Å; G64-S68 PolarHBondContact O-N 2.97Å; E65-S68 PolarHBondContact O-N 3.48Å; V66-S68 VanDerWaalsContact C-N 3.33Å; V66-S68 PolarHBondContact O-N 2.93Å; S68-V71 PolarHBondContact O-N 3.41Å; S68-K72 WeakPolarHBondContact O-CB 3.41Å; S68-K72 PolarHBondContact O-N 3.03Å |
| 69 | L | 92.1 | Very high | 91.3 | Very high | 16 Ų | 16 | 37.7 Ų | 37.7 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | 173.7 | -70.3 | -178 | 0 | 0 | 0 | 112.3 | F26 M29 N30 I33 E65 V66 Q67 V71 K72 S73 | F26-L69 HydrophobicContact CD1-CD1 4.19Å; F26-L69 HydrophobicContact CD2-CD1 3.36Å; F26-L69 HydrophobicContact CD2-CG 4.28Å; F26-L69 HydrophobicContact CE1-CD1 4.23Å; F26-L69 HydrophobicContact CE2-CD1 3.42Å; F26-L69 VanDerWaalsContact CE2-CD1 3.42Å; F26-L69 HydrophobicContact CE2-CG 4.04Å; F26-L69 HydrophobicContact CG-CD1 3.78Å; F26-L69 HydrophobicContact CZ-CD1 3.86Å; F26-L69 WeakPolarHBondContact O-CD1 3.46Å; M29-L69 HydrophobicContact CB-CB 4.14Å; M29-L69 HydrophobicContact CB-CD1 4.08Å; M29-L69 HydrophobicContact CG-CB 3.5Å; M29-L69 HydrophobicContact CG-CD1 4.35Å; N30-L69 HydrophobicContact CB-CD1 4.32Å; I33-L69 HydrophobicContact CD1-CB 4.28Å; I33-L69 HydrophobicContact CD1-CD2 4.03Å; E65-L69 PolarHBondContact O-N 3.47Å; E65-L69 VanDerWaalsContact O-N 3.09Å; V66-L69 PolarHBondContact O-N 3.17Å; Q67-L69 PolarHBondContact O-N 2.76Å; L69-V71 VanDerWaalsContact C-N 3.34Å; L69-V71 PolarHBondContact O-N 2.88Å; L69-K72 PolarHBondContact O-N 3.02Å; L69-S73 PolarHBondContact O-N 3.32Å |
| 70 | A | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L58 L59 V66 Q67 S73 L74 | L58-A70 HydrophobicContact CB-CB 3.92Å; L59-A70 HydrophobicContact CD2-CB 3.82Å; L59-A70 HydrophobicContact CG-CB 4.27Å; V66-A70 WeakPolarHBondContact O-CB 3.39Å; V66-A70 PolarHBondContact O-N 3.26Å; Q67-A70 WeakPolarHBondContact O-CB 3.24Å; Q67-A70 PolarHBondContact O-N 3.43Å; A70-S73 PolarHBondContact O-N 2.97Å; A70-S73 PolarHBondContact O-OG 3.32Å; A70-L74 PolarHBondContact O-N 3.37Å |
| 71 | V | 94.8 | Very high | 90.9 | Very high | 16 Ų | 16 | 36.1 Ų | 36.1 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.9 | -49.7 | 173.3 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | L59 Q67 S68 L69 S73 L74 I108 I111 | L59-V71 HydrophobicContact CD2-CB 4.43Å; L59-V71 HydrophobicContact CD2-CG2 3.56Å; Q67-V71 WeakPolarHBondContact O-CG2 3.27Å; Q67-V71 PolarHBondContact O-N 3.48Å; S68-V71 PolarHBondContact O-N 3.41Å; L69-V71 VanDerWaalsContact C-N 3.34Å; L69-V71 PolarHBondContact O-N 2.88Å; V71-S73 PolarHBondContact O-N 3.46Å; V71-L74 WeakPolarHBondContact O-CB 3.33Å; V71-L74 PolarHBondContact O-N 2.96Å; V71-L74 VanDerWaalsContact O-N 3.08Å; V71-I108 HydrophobicContact CG2-CG2 3.83Å; V71-I111 HydrophobicContact CG1-CG2 3.75Å |
| 72 | K | 93 | Very high | 90.8 | Very high | 121 Ų | 121 | 41.1 Ų | 41.1 | 53% | 0.526 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.2 | -34.7 | -179.8 | -172.7 | 178.2 | 179.1 | -175.7 | 0 | 112.7 | I33 S68 L69 L74 P76 | I33-K72 HydrophobicContact CD1-CB 4.31Å; I33-K72 HydrophobicContact CD1-CD 4.38Å; I33-K72 HydrophobicContact CD1-CG 4.38Å; S68-K72 WeakPolarHBondContact O-CB 3.41Å; S68-K72 PolarHBondContact O-N 3.03Å; L69-K72 PolarHBondContact O-N 3.02Å; K72-L74 VanDerWaalsContact C-N 3.33Å; K72-L74 PolarHBondContact O-N 3.29Å; K72-P76 VanDerWaalsContact O-CD 3.24Å; K72-P76 WeakPolarHBondContact O-CD 3.17Å |
| 73 | S | 92.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.2 | -24.3 | 179.1 | 78.2 | 0 | 0 | 0 | 0 | 114.8 | M29 I55 L69 A70 V71 G75 P76 L77 | M29-S73 WeakPolarHBondContact CE-OG 3.32Å; I55-S73 WeakPolarHBondContact CG2-OG 3.33Å; L69-S73 PolarHBondContact O-N 3.32Å; A70-S73 PolarHBondContact O-N 2.97Å; A70-S73 PolarHBondContact O-OG 3.32Å; V71-S73 PolarHBondContact O-N 3.46Å; S73-G75 PolarHBondContact O-N 3.22Å; S73-P76 WeakPolarHBondContact O-CD 3.31Å; S73-L77 WeakPolarHBondContact O-CB 3.43Å; S73-L77 PolarHBondContact O-N 3.22Å |
| 74 | L | 94.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -31.8 | 179.7 | -69.6 | 172.9 | 0 | 0 | 0 | 111.4 | I55 L59 A70 V71 K72 L77 A78 I89 L93 V116 | I55-L74 HydrophobicContact CG2-CD2 3.82Å; I55-L74 HydrophobicContact CG2-CG 4.36Å; L59-L74 HydrophobicContact CD1-CD1 4.22Å; L59-L74 HydrophobicContact CD2-CD1 4.28Å; A70-L74 PolarHBondContact O-N 3.37Å; V71-L74 WeakPolarHBondContact O-CB 3.33Å; V71-L74 PolarHBondContact O-N 2.96Å; V71-L74 VanDerWaalsContact O-N 3.08Å; K72-L74 VanDerWaalsContact C-N 3.33Å; K72-L74 PolarHBondContact O-N 3.29Å; L74-L77 HydrophobicContact CD2-CD2 4.44Å; L74-A78 WeakPolarHBondContact O-CB 3.31Å; L74-A78 PolarHBondContact O-N 3.26Å; L74-I89 HydrophobicContact CD2-CG2 4.13Å; L74-L93 HydrophobicContact CD1-CD1 4.19Å; L74-L93 HydrophobicContact CD1-CD2 4.43Å; L74-V116 HydrophobicContact CB-CG2 3.84Å; L74-V116 HydrophobicContact CD1-CG2 4.38Å |
| 75 | G | 91.9 | Very high | 91 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 9% | 0.093 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -65.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S73 L77 A78 A119 | S73-G75 PolarHBondContact O-N 3.22Å; G75-L77 VanDerWaalsContact C-N 3.27Å; G75-L77 PolarHBondContact O-N 3.32Å; G75-A78 PolarHBondContact O-N 2.99Å; G75-A119 VanDerWaalsContact O-CB 3.29Å; G75-A119 WeakPolarHBondContact O-CB 3.41Å |
| 76 | P | 89.2 | Confident | 91.2 | Very high | 24 Ų | 24 | 35.2 Ų | 35.2 | 16% | 0.156 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.1 | -42.2 | 174.1 | -26.4 | 33.8 | 0 | 0 | 0 | 112.9 | L36 Q37 K72 S73 A78 T79 | L36-P76 HydrophobicContact CB-CB 3.81Å; Q37-P76 HydrophobicContact CG-CB 4.32Å; Q37-P76 HydrophobicContact CG-CG 4.08Å; K72-P76 VanDerWaalsContact O-CD 3.24Å; K72-P76 WeakPolarHBondContact O-CD 3.17Å; S73-P76 WeakPolarHBondContact O-CD 3.31Å; P76-A78 PolarHBondContact O-N 3.46Å; P76-T79 PolarHBondContact O-N 3Å; P76-T79 PolarHBondContact O-OG1 3.36Å |
| 77 | L | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -45.7 | -179.5 | -175.1 | 69.5 | 0 | 0 | 0 | 112.4 | L36 V51 V52 I55 S73 L74 G75 T79 K80 V81 I89 | L36-L77 HydrophobicContact CD1-CB 4.23Å; L36-L77 HydrophobicContact CD1-CD1 4.31Å; L36-L77 HydrophobicContact CD2-CD1 4.17Å; V51-L77 HydrophobicContact CG1-CD1 3.73Å; V52-L77 HydrophobicContact CG2-CD1 4.48Å; V52-L77 HydrophobicContact CG2-CD2 4.02Å; I55-L77 HydrophobicContact CD1-CD1 4.34Å; I55-L77 HydrophobicContact CD1-CD2 3.6Å; I55-L77 HydrophobicContact CD1-CG 4.43Å; S73-L77 WeakPolarHBondContact O-CB 3.43Å; S73-L77 PolarHBondContact O-N 3.22Å; L74-L77 HydrophobicContact CD2-CD2 4.44Å; G75-L77 VanDerWaalsContact C-N 3.27Å; G75-L77 PolarHBondContact O-N 3.32Å; L77-T79 PolarHBondContact O-N 3.28Å; L77-T79 VanDerWaalsContact O-N 3.12Å; L77-K80 PolarHBondContact O-N 3.03Å; L77-V81 HydrophobicContact CD1-CG1 3.7Å; L77-V81 HydrophobicContact CG-CG1 3.85Å; L77-V81 WeakPolarHBondContact O-CG2 3.25Å; L77-V81 PolarHBondContact O-N 2.99Å; L77-V81 VanDerWaalsContact O-N 3.14Å; L77-I89 HydrophobicContact CD2-CD1 3.93Å; L77-I89 HydrophobicContact CG-CD1 4.41Å |
| 78 | A | 90 | Very high | 91.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.7 | -28.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | L74 G75 P76 I86 V116 A119 | L74-A78 WeakPolarHBondContact O-CB 3.31Å; L74-A78 PolarHBondContact O-N 3.26Å; G75-A78 PolarHBondContact O-N 2.99Å; P76-A78 PolarHBondContact O-N 3.46Å; A78-I86 HydrophobicContact CB-CD1 3.93Å; A78-V116 HydrophobicContact CB-CG1 4Å; A78-V116 HydrophobicContact CB-CG2 4.49Å; A78-A119 HydrophobicContact CB-CB 4.44Å |
| 79 | T | 86.5 | Confident | 91.6 | Very high | 43 Ų | 43 | 34.3 Ų | 34.3 | 26% | 0.264 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -12.5 | 177.6 | 69.6 | 0 | 0 | 0 | 0 | 114.2 | P76 L77 A119 N122 | P76-T79 PolarHBondContact O-N 3Å; P76-T79 PolarHBondContact O-OG1 3.36Å; L77-T79 PolarHBondContact O-N 3.28Å; L77-T79 VanDerWaalsContact O-N 3.12Å; T79-A119 HydrophobicContact CG2-CB 4.31Å; T79-A119 WeakPolarHBondContact CG2-O 3.49Å; T79-N122 HydrophobicContact CG2-CB 4.2Å |
| 80 | K | 85.1 | Confident | 91.8 | Very high | 61 Ų | 61 | 33.7 Ų | 33.7 | 27% | 0.265 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | -21.7 | -173.7 | -62.6 | -65.5 | -178.9 | -177.3 | 0 | 114 | L36 N39 L77 | L36-K80 WeakPolarHBondContact O-CE 3.15Å; N39-K80 PolarHBondContact OD1-NZ 3.46Å; L77-K80 PolarHBondContact O-N 3.03Å |
| 81 | V | 88.5 | Confident | 91.8 | Very high | 8 Ų | 8 | 39 Ų | 39 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -83.8 | 156 | -176.9 | -66.6 | 0 | 0 | 0 | 0 | 113 | V52 L77 Q85 I86 I89 | V52-V81 HydrophobicContact CG2-CG1 4.01Å; L77-V81 HydrophobicContact CD1-CG1 3.7Å; L77-V81 HydrophobicContact CG-CG1 3.85Å; L77-V81 WeakPolarHBondContact O-CG2 3.25Å; L77-V81 PolarHBondContact O-N 2.99Å; L77-V81 VanDerWaalsContact O-N 3.14Å; V81-Q85 HydrophobicContact CB-CB 3.95Å; V81-Q85 HydrophobicContact CG1-CB 4.32Å; V81-I86 HydrophobicContact CG2-CB 4.15Å; V81-I86 HydrophobicContact CG2-CD1 4.1Å; V81-I89 HydrophobicContact CG2-CD1 4.23Å |
| 82 | K | 89.2 | Confident | 91.8 | Very high | 118 Ų | 118 | 40.3 Ų | 40.3 | 51% | 0.513 | 20% | 0.197 | S | C | . | . | trans | -84.2 | 170.1 | 174.4 | -64.4 | 175 | -172.3 | 172.2 | 0 | 112.5 | E48 Q84 Q85 I86 | E48-K82 WeakPolarHBondContact OE1-CE 3.42Å; E48-K82 PolarHBondContact OE2-N 3.47Å; K82-Q84 VanDerWaalsContact C-N 3.33Å; K82-Q84 PolarHBondContact O-N 3.48Å; K82-Q85 PolarHBondContact O-N 3.41Å; K82-I86 PolarHBondContact O-N 3Å | ||
| 83 | E | 90.2 | Very high | 91.9 | Very high | 78 Ų | 78 | 34.5 Ų | 34.5 | 36% | 0.364 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -46.5 | -49 | -178.2 | -171.6 | -173.8 | -175.2 | 0 | 0 | 113.9 | Q85 I86 I87 V127 S131 | E83-Q85 PolarHBondContact O-N 3.35Å; E83-I86 VanDerWaalsContact O-CG2 3.24Å; E83-I86 WeakPolarHBondContact O-CG2 3.4Å; E83-I86 PolarHBondContact O-N 3.4Å; E83-I87 HydrophobicContact CG-CD1 3.88Å; E83-I87 WeakPolarHBondContact O-CD1 3.25Å; E83-I87 VanDerWaalsContact O-CG1 3.23Å; E83-I87 WeakPolarHBondContact O-CG1 3.45Å; E83-I87 PolarHBondContact O-N 3.02Å; E83-V127 HydrophobicContact CG-CG1 4.33Å; E83-S131 PolarHBondContact OE1-OG 2.86Å |
| 84 | Q | 90.7 | Very high | 92 | Very high | 116 Ų | 116 | 34.9 Ų | 34.9 | 54% | 0.542 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.2 | -34.2 | -178 | -66.1 | -176.5 | -8.2 | 0 | 0 | 113 | K82 T88 | K82-Q84 VanDerWaalsContact C-N 3.33Å; K82-Q84 PolarHBondContact O-N 3.48Å; Q84-T88 PolarHBondContact O-N 2.81Å; Q84-T88 PolarHBondContact O-OG1 3.32Å |
| 85 | Q | 93 | Very high | 91.9 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -84.9 | -36.3 | -176.7 | -67.3 | -48.3 | -63 | 0 | 0 | 111.6 | E48 K49 V52 V81 K82 E83 I87 T88 I89 | E48-Q85 HydrophobicContact CB-CG 4.02Å; K49-Q85 VanDerWaalsContact CG-NE2 3.33Å; V52-Q85 HydrophobicContact CG2-CB 4.25Å; V81-Q85 HydrophobicContact CB-CB 3.95Å; V81-Q85 HydrophobicContact CG1-CB 4.32Å; K82-Q85 PolarHBondContact O-N 3.41Å; E83-Q85 PolarHBondContact O-N 3.35Å; Q85-I87 VanDerWaalsContact C-N 3.3Å; Q85-I87 PolarHBondContact O-N 3.25Å; Q85-T88 WeakPolarHBondContact O-CB 3.15Å; Q85-T88 PolarHBondContact O-N 3.32Å; Q85-T88 VanDerWaalsContact O-N 3.11Å; Q85-I89 WeakPolarHBondContact O-CG1 3.43Å; Q85-I89 PolarHBondContact O-N 3.13Å |
| 86 | I | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 172.2 | -160 | 64.4 | 0 | 0 | 0 | 111.4 | A78 V81 K82 E83 T88 I89 V90 V116 L120 V128 A132 | A78-I86 HydrophobicContact CB-CD1 3.93Å; V81-I86 HydrophobicContact CG2-CB 4.15Å; V81-I86 HydrophobicContact CG2-CD1 4.1Å; K82-I86 PolarHBondContact O-N 3Å; E83-I86 VanDerWaalsContact O-CG2 3.24Å; E83-I86 WeakPolarHBondContact O-CG2 3.4Å; E83-I86 PolarHBondContact O-N 3.4Å; I86-T88 VanDerWaalsContact C-N 3.25Å; I86-T88 PolarHBondContact O-N 3.22Å; I86-I89 HydrophobicContact CD1-CD1 4.24Å; I86-I89 PolarHBondContact O-N 2.96Å; I86-V90 HydrophobicContact CG1-CG2 4.47Å; I86-V90 WeakPolarHBondContact O-CG2 3.48Å; I86-V90 PolarHBondContact O-N 3.02Å; I86-V116 HydrophobicContact CD1-CG1 3.91Å; I86-L120 HydrophobicContact CD1-CD2 4.35Å; I86-L120 HydrophobicContact CG1-CD2 4.37Å; I86-V128 HydrophobicContact CB-CG1 3.92Å; I86-V128 HydrophobicContact CG1-CG1 4.03Å; I86-V128 HydrophobicContact CG2-CB 4.47Å; I86-V128 HydrophobicContact CG2-CG1 3.67Å; I86-A132 HydrophobicContact CG1-CB 3.76Å; I86-A132 HydrophobicContact CG2-CB 4.31Å |
| 87 | I | 93.8 | Very high | 92 | Very high | 37 Ų | 37 | 35.3 Ų | 35.3 | 19% | 0.19 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 174.4 | -68.9 | 166.7 | 0 | 0 | 0 | 110.1 | E83 Q85 V90 K91 E135 | E83-I87 HydrophobicContact CG-CD1 3.88Å; E83-I87 WeakPolarHBondContact O-CD1 3.25Å; E83-I87 VanDerWaalsContact O-CG1 3.23Å; E83-I87 WeakPolarHBondContact O-CG1 3.45Å; E83-I87 PolarHBondContact O-N 3.02Å; Q85-I87 VanDerWaalsContact C-N 3.3Å; Q85-I87 PolarHBondContact O-N 3.25Å; I87-V90 PolarHBondContact O-N 2.99Å; I87-K91 HydrophobicContact CG2-CD 3.94Å; I87-K91 HydrophobicContact CG2-CG 4.29Å; I87-K91 VanDerWaalsContact O-CB 3.29Å; I87-K91 WeakPolarHBondContact O-CB 3.45Å; I87-K91 VanDerWaalsContact O-CG 3.29Å; I87-K91 WeakPolarHBondContact O-CG 3.45Å; I87-K91 PolarHBondContact O-N 2.98Å; I87-E135 HydrophobicContact CG2-CG 4.26Å |
| 88 | T | 94.7 | Very high | 91.9 | Very high | 62 Ų | 62 | 37.8 Ų | 37.8 | 38% | 0.38 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 178.4 | -55 | 0 | 0 | 0 | 0 | 111.3 | Q84 Q85 I86 D92 | Q84-T88 PolarHBondContact O-N 2.81Å; Q84-T88 PolarHBondContact O-OG1 3.32Å; Q85-T88 WeakPolarHBondContact O-CB 3.15Å; Q85-T88 PolarHBondContact O-N 3.32Å; Q85-T88 VanDerWaalsContact O-N 3.11Å; I86-T88 VanDerWaalsContact C-N 3.25Å; I86-T88 PolarHBondContact O-N 3.22Å; T88-D92 WeakPolarHBondContact O-CB 3.44Å; T88-D92 PolarHBondContact O-N 3.39Å |
| 89 | I | 95.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.1 | -52 | 176.6 | -65.7 | 165.2 | 0 | 0 | 0 | 110.2 | V52 L56 L74 L77 V81 Q85 I86 K91 D92 L93 V116 | V52-I89 HydrophobicContact CG1-CD1 4.26Å; V52-I89 HydrophobicContact CG1-CG1 3.59Å; V52-I89 HydrophobicContact CG2-CD1 4.06Å; V52-I89 HydrophobicContact CG2-CG1 4.32Å; L56-I89 HydrophobicContact CD2-CG2 4.46Å; L74-I89 HydrophobicContact CD2-CG2 4.13Å; L77-I89 HydrophobicContact CD2-CD1 3.93Å; L77-I89 HydrophobicContact CG-CD1 4.41Å; V81-I89 HydrophobicContact CG2-CD1 4.23Å; Q85-I89 WeakPolarHBondContact O-CG1 3.43Å; Q85-I89 PolarHBondContact O-N 3.13Å; I86-I89 HydrophobicContact CD1-CD1 4.24Å; I86-I89 PolarHBondContact O-N 2.96Å; I89-K91 PolarHBondContact O-N 2.8Å; I89-D92 PolarHBondContact O-N 2.9Å; I89-L93 HydrophobicContact CG2-CD1 3.7Å; I89-L93 HydrophobicContact CG2-CG 4.36Å; I89-L93 VanDerWaalsContact O-CG 3.26Å; I89-L93 WeakPolarHBondContact O-CG 3.47Å; I89-L93 PolarHBondContact O-N 3.16Å; I89-V116 HydrophobicContact CG2-CG2 4.02Å |
| 90 | V | 95.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | -177.4 | 173 | 0 | 0 | 0 | 0 | 111 | I86 I87 D92 L93 V94 L113 A132 E135 A136 | I86-V90 HydrophobicContact CG1-CG2 4.47Å; I86-V90 WeakPolarHBondContact O-CG2 3.48Å; I86-V90 PolarHBondContact O-N 3.02Å; I87-V90 PolarHBondContact O-N 2.99Å; V90-D92 VanDerWaalsContact C-N 3.34Å; V90-D92 PolarHBondContact O-N 3.34Å; V90-L93 PolarHBondContact O-N 3.44Å; V90-V94 HydrophobicContact CG1-CG2 4.01Å; V90-V94 VanDerWaalsContact O-CB 3.28Å; V90-V94 WeakPolarHBondContact O-CB 3.37Å; V90-V94 WeakPolarHBondContact O-CG2 3.38Å; V90-V94 PolarHBondContact O-N 3.36Å; V90-L113 HydrophobicContact CG1-CD1 4.4Å; V90-L113 HydrophobicContact CG2-CD1 4.44Å; V90-A132 HydrophobicContact CG2-CB 4.04Å; V90-E135 HydrophobicContact CG1-CB 4.1Å; V90-E135 HydrophobicContact CG1-CG 4.23Å; V90-A136 HydrophobicContact CG1-CB 3.75Å |
| 91 | K | 95.2 | Very high | 90.4 | Very high | 111 Ų | 111 | 44.9 Ų | 44.9 | 48% | 0.483 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.6 | -43.7 | 176.8 | -80 | -177.2 | 176.5 | 179.7 | 0 | 112.7 | I87 I89 G95 E135 | I87-K91 HydrophobicContact CG2-CD 3.94Å; I87-K91 HydrophobicContact CG2-CG 4.29Å; I87-K91 VanDerWaalsContact O-CB 3.29Å; I87-K91 WeakPolarHBondContact O-CB 3.45Å; I87-K91 VanDerWaalsContact O-CG 3.29Å; I87-K91 WeakPolarHBondContact O-CG 3.45Å; I87-K91 PolarHBondContact O-N 2.98Å; I89-K91 PolarHBondContact O-N 2.8Å; K91-G95 PolarHBondContact O-N 3.2Å; K91-E135 HydrophobicContact CD-CG 4.41Å; K91-E135 WeakPolarHBondContact CE-OE1 3.45Å; K91-E135 WeakPolarHBondContact CE-OE2 3.29Å; K91-E135 HydrophobicContact CG-CG 3.63Å; K91-E135 IonicContact NZ-OE1 3.79Å; K91-E135 IonicContact NZ-OE2 3.73Å |
| 92 | D | 94.5 | Very high | 90 | Very high | 44 Ų | 44 | 50.9 Ų | 50.9 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.3 | -46.1 | -179.3 | -169.7 | 61.7 | 0 | 0 | 0 | 111.5 | L56 R60 T88 I89 V90 T96 | L56-D92 HydrophobicContact CD1-CB 3.87Å; L56-D92 HydrophobicContact CD2-CB 4.26Å; R60-D92 IonicContact CZ-OD1 2.61Å; R60-D92 IonicContact CZ-OD2 3.81Å; R60-D92 IonicContact NH1-OD1 3.94Å; R60-D92 IonicContact NH1-OD2 2.8Å; R60-D92 PolarHBondContact NH1-OD2 3.49Å; R60-D92 IonicContact NH2-OD1 3.75Å; R60-D92 PolarHBondContact NH2-OD1 2.88Å; R60-D92 IonicContact NH2-OD2 3.73Å; R60-D92 PolarHBondContact NH2-OD2 2.93Å; T88-D92 WeakPolarHBondContact O-CB 3.44Å; T88-D92 PolarHBondContact O-N 3.39Å; I89-D92 PolarHBondContact O-N 2.9Å; V90-D92 VanDerWaalsContact C-N 3.34Å; V90-D92 PolarHBondContact O-N 3.34Å; D92-T96 VanDerWaalsContact O-CB 3.24Å; D92-T96 WeakPolarHBondContact O-CB 3.42Å; D92-T96 PolarHBondContact O-N 3.49Å; D92-T96 PolarHBondContact O-OG1 3.45Å |
| 93 | L | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -49.1 | 179.4 | -66.9 | 174.4 | 0 | 0 | 0 | 111.7 | L56 L59 L74 I89 V90 T96 M97 C109 L113 V116 | L56-L93 HydrophobicContact CD2-CD2 4.5Å; L59-L93 HydrophobicContact CD1-CD2 3.54Å; L74-L93 HydrophobicContact CD1-CD1 4.19Å; L74-L93 HydrophobicContact CD1-CD2 4.43Å; I89-L93 HydrophobicContact CG2-CD1 3.7Å; I89-L93 HydrophobicContact CG2-CG 4.36Å; I89-L93 VanDerWaalsContact O-CG 3.26Å; I89-L93 WeakPolarHBondContact O-CG 3.47Å; I89-L93 PolarHBondContact O-N 3.16Å; V90-L93 PolarHBondContact O-N 3.44Å; L93-T96 PolarHBondContact O-N 3.4Å; L93-M97 VanDerWaalsContact O-CB 3.3Å; L93-M97 WeakPolarHBondContact O-CB 3.47Å; L93-M97 PolarHBondContact O-N 2.69Å; L93-C109 HydrophobicContact CD2-CB 4.2Å; L93-L113 HydrophobicContact CB-CB 4.33Å; L93-L113 HydrophobicContact CD1-CB 4.25Å; L93-L113 HydrophobicContact CD1-CD1 4.38Å; L93-V116 HydrophobicContact CD1-CG2 4.16Å |
| 94 | V | 94.9 | Very high | 89.2 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 179.5 | 173.2 | 0 | 0 | 0 | 0 | 111 | V90 T96 M97 E98 L113 A136 P139 | V90-V94 HydrophobicContact CG1-CG2 4.01Å; V90-V94 VanDerWaalsContact O-CB 3.28Å; V90-V94 WeakPolarHBondContact O-CB 3.37Å; V90-V94 WeakPolarHBondContact O-CG2 3.38Å; V90-V94 PolarHBondContact O-N 3.36Å; V94-T96 PolarHBondContact O-N 3.33Å; V94-M97 PolarHBondContact O-N 2.85Å; V94-E98 PolarHBondContact O-N 3.29Å; V94-L113 HydrophobicContact CG2-CD1 4.37Å; V94-L113 HydrophobicContact CG2-CD2 3.52Å; V94-A136 HydrophobicContact CG2-CB 4.37Å; V94-P139 HydrophobicContact CG1-CB 3.46Å; V94-P139 VanDerWaalsContact CG1-CB 3.46Å; V94-P139 HydrophobicContact CG1-CG 4.03Å |
| 95 | G | 92.6 | Very high | 89 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K91 E98 K99 | K91-G95 PolarHBondContact O-N 3.2Å; G95-E98 PolarHBondContact O-N 3.38Å; G95-K99 PolarHBondContact O-N 2.8Å |
| 96 | T | 90.9 | Very high | 88.8 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 10% | 0.104 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.4 | -35.2 | 175.3 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | R60 D92 L93 V94 E98 G100 L105 C109 | R60-T96 PolarHBondContact NH2-OG1 3.24Å; D92-T96 VanDerWaalsContact O-CB 3.24Å; D92-T96 WeakPolarHBondContact O-CB 3.42Å; D92-T96 PolarHBondContact O-N 3.49Å; D92-T96 PolarHBondContact O-OG1 3.45Å; L93-T96 PolarHBondContact O-N 3.4Å; V94-T96 PolarHBondContact O-N 3.33Å; T96-E98 VanDerWaalsContact C-N 3.34Å; T96-G100 WeakPolarHBondContact O-CA 3.37Å; T96-G100 PolarHBondContact O-N 3.03Å; T96-L105 HydrophobicContact CG2-CD1 4.4Å; T96-L105 HydrophobicContact CG2-CD2 3.64Å; T96-L105 HydrophobicContact CG2-CG 3.73Å; T96-C109 VanDerWaalsContact CG2-SG 3.56Å |
| 97 | M | 92.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.7 | -36 | 174.2 | -168.5 | -178.9 | 66.4 | 0 | 0 | 112 | L93 V94 R106 C109 L140 M143 A156 | L93-M97 VanDerWaalsContact O-CB 3.3Å; L93-M97 WeakPolarHBondContact O-CB 3.47Å; L93-M97 PolarHBondContact O-N 2.69Å; V94-M97 PolarHBondContact O-N 2.85Å; M97-R106 WeakPolarHBondContact O-CD 3.41Å; M97-C109 HydrophobicContact CB-CB 4.42Å; M97-L140 HydrophobicContact CE-CD2 3.2Å; M97-M143 HydrophobicContact CB-CE 4.2Å; M97-M143 HydrophobicContact CE-CE 3.42Å; M97-M143 VanDerWaalsContact CE-CE 3.42Å; M97-M143 HydrophobicContact CE-SD 3.62Å; M97-M143 HydrophobicContact CG-CE 3.84Å; M97-M143 HydrophobicContact SD-CE 4.36Å; M97-A156 HydrophobicContact CE-CB 4.19Å |
| 98 | E | 89.2 | Confident | 88.3 | Confident | 52 Ų | 52 | 50 Ų | 50 | 24% | 0.243 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74.1 | -45.8 | 176.1 | -172.4 | -177 | -149.8 | 0 | 0 | 112.9 | V94 G95 T96 H142 M143 H147 | V94-E98 PolarHBondContact O-N 3.29Å; G95-E98 PolarHBondContact O-N 3.38Å; T96-E98 VanDerWaalsContact C-N 3.34Å; E98-H142 IonicContact OE1-ND1 3.71Å; E98-M143 HydrophobicContact CB-CE 4Å; E98-M143 HydrophobicContact CB-CG 4.28Å; E98-M143 HydrophobicContact CB-SD 3.86Å; E98-M143 HydrophobicContact CG-CG 4.13Å; E98-M143 HydrophobicContact CG-SD 4.37Å; E98-H147 PolarHBondContact O-NE2 3.11Å |
| 99 | K | 85.4 | Confident | 88.2 | Confident | 166 Ų | 166 | 47.1 Ų | 47.1 | 72% | 0.722 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -110 | -5.3 | -167.4 | -61.7 | 178.8 | -175 | 174.8 | 0 | 115 | G95 G101 | G95-K99 PolarHBondContact O-N 2.8Å; K99-G101 PolarHBondContact O-N 2.98Å |
| 100 | G | 73.2 | Confident | 88.1 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | trans | -57.6 | 133.8 | -174 | 0 | 0 | 0 | 0 | 0 | 111.8 | T96 R106 | T96-G100 WeakPolarHBondContact O-CA 3.37Å; T96-G100 PolarHBondContact O-N 3.03Å; G100-R106 PolarHBondContact O-NE 3.2Å; G100-R106 PolarHBondContact O-NH2 3.44Å | ||
| 101 | G | 71.5 | Confident | 87.9 | Confident | 79 Ų | 79 | 51 Ų | 51 | 81% | 0.814 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -72.6 | -29.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K99 | K99-G101 PolarHBondContact O-N 2.98Š|
| 102 | E | 78.2 | Confident | 87.9 | Confident | 134 Ų | 134 | 45.7 Ų | 45.7 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -101.8 | 128 | -175.9 | -67.3 | 173.6 | -175.7 | 0 | 0 | 111.2 | Q104 L105 R106 | E102-Q104 VanDerWaalsContact C-N 3.28Å; E102-Q104 PolarHBondContact O-N 2.96Å; E102-L105 HydrophobicContact CB-CB 4.2Å; E102-L105 PolarHBondContact O-N 3.13Å; E102-R106 PolarHBondContact O-N 2.92Å |
| 103 | G | 79.6 | Confident | 87.9 | Confident | 52 Ų | 52 | 43.7 Ų | 43.7 | 54% | 0.536 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.6 | -36 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L105 R106 S107 | G103-L105 PolarHBondContact O-N 3.25Å; G103-R106 PolarHBondContact O-N 3.18Å; G103-S107 PolarHBondContact O-N 3.01Å |
| 104 | Q | 84.2 | Confident | 87.9 | Confident | 152 Ų | 152 | 45.2 Ų | 45.2 | 71% | 0.71 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.7 | -43.8 | 175.9 | -73.6 | -177.4 | -13.7 | 0 | 0 | 112 | E102 R106 S107 I108 | E102-Q104 VanDerWaalsContact C-N 3.28Å; E102-Q104 PolarHBondContact O-N 2.96Å; Q104-R106 PolarHBondContact O-N 2.67Å; Q104-S107 PolarHBondContact O-N 3.04Å; Q104-I108 WeakPolarHBondContact O-CD1 3.15Å; Q104-I108 VanDerWaalsContact O-CG1 3.29Å; Q104-I108 WeakPolarHBondContact O-CG1 3.39Å; Q104-I108 PolarHBondContact O-N 3.36Å |
| 105 | L | 86.7 | Confident | 87.9 | Confident | 29 Ų | 29 | 46.6 Ų | 46.6 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | -179.9 | -177.1 | 63.3 | 0 | 0 | 0 | 111.8 | R60 T96 E102 G103 S107 I108 C109 | R60-L105 HydrophobicContact CG-CD1 3.74Å; R60-L105 HydrophobicContact CG-CD2 4.33Å; T96-L105 HydrophobicContact CG2-CD1 4.4Å; T96-L105 HydrophobicContact CG2-CD2 3.64Å; T96-L105 HydrophobicContact CG2-CG 3.73Å; E102-L105 HydrophobicContact CB-CB 4.2Å; E102-L105 PolarHBondContact O-N 3.13Å; G103-L105 PolarHBondContact O-N 3.25Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-S107 PolarHBondContact O-N 3.31Å; L105-I108 PolarHBondContact O-N 3.37Å; L105-C109 PolarHBondContact O-N 2.89Å; L105-C109 PolarHBondContact O-SG 3.38Å; L105-C109 VanDerWaalsContact O-SG 3.42Å |
| 106 | R | 88.5 | Confident | 88 | Confident | 42 Ų | 42 | 45.3 Ų | 45.3 | 16% | 0.158 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 174.9 | -62.8 | -174.3 | -167.3 | 155.7 | 1.1 | 111.2 | M97 G100 E102 G103 Q104 C109 S110 D149 V152 | M97-R106 WeakPolarHBondContact O-CD 3.41Å; G100-R106 PolarHBondContact O-NE 3.2Å; G100-R106 PolarHBondContact O-NH2 3.44Å; E102-R106 PolarHBondContact O-N 2.92Å; G103-R106 PolarHBondContact O-N 3.18Å; Q104-R106 PolarHBondContact O-N 2.67Å; R106-C109 PolarHBondContact O-N 3.04Å; R106-S110 PolarHBondContact O-N 3.27Å; R106-D149 IonicContact NH1-OD2 3.53Å; R106-D149 PolarHBondContact NH1-OD2 3.15Å; R106-V152 VanDerWaalsContact NH1-CG2 3.29Å |
| 107 | S | 87.4 | Confident | 88.1 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 30% | 0.301 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 178.9 | -151 | 0 | 0 | 0 | 0 | 112.6 | G103 Q104 L105 C109 S110 I111 E155 | G103-S107 PolarHBondContact O-N 3.01Å; Q104-S107 PolarHBondContact O-N 3.04Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-S107 PolarHBondContact O-N 3.31Å; S107-C109 VanDerWaalsContact C-N 3.34Å; S107-C109 PolarHBondContact O-N 3.15Å; S107-S110 WeakPolarHBondContact O-CB 3.23Å; S107-S110 PolarHBondContact O-N 3.02Å; S107-I111 VanDerWaalsContact O-CG1 3.28Å; S107-I111 WeakPolarHBondContact O-CG1 3.28Å; S107-I111 PolarHBondContact O-N 3.04Å; S107-E155 VanDerWaalsContact CA-OE1 3.23Å; S107-E155 WeakPolarHBondContact CA-OE1 3.29Å; S107-E155 WeakPolarHBondContact CB-OE1 3.27Å; S107-E155 PolarHBondContact OG-OE1 3.12Å |
| 108 | I | 89.3 | Confident | 88 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 11% | 0.113 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 174.4 | -68.1 | 160.5 | 0 | 0 | 0 | 110.8 | L59 Q67 V71 Q104 L105 I111 G112 | L59-I108 HydrophobicContact CD2-CG2 4.24Å; Q67-I108 HydrophobicContact CG-CD1 4.48Å; V71-I108 HydrophobicContact CG2-CG2 3.83Å; Q104-I108 WeakPolarHBondContact O-CD1 3.15Å; Q104-I108 VanDerWaalsContact O-CG1 3.29Å; Q104-I108 WeakPolarHBondContact O-CG1 3.39Å; Q104-I108 PolarHBondContact O-N 3.36Å; L105-I108 PolarHBondContact O-N 3.37Å; I108-I111 PolarHBondContact O-N 2.77Å; I108-G112 PolarHBondContact O-N 3.38Å |
| 109 | C | 92.2 | Very high | 88 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.1 | -36.4 | 177.2 | -71.9 | 0 | 0 | 0 | 0 | 112.4 | L93 T96 M97 L105 R106 S107 G112 L113 | L93-C109 HydrophobicContact CD2-CB 4.2Å; T96-C109 VanDerWaalsContact CG2-SG 3.56Å; M97-C109 HydrophobicContact CB-CB 4.42Å; L105-C109 PolarHBondContact O-N 2.89Å; L105-C109 PolarHBondContact O-SG 3.38Å; L105-C109 VanDerWaalsContact O-SG 3.42Å; R106-C109 PolarHBondContact O-N 3.04Å; S107-C109 VanDerWaalsContact C-N 3.34Å; S107-C109 PolarHBondContact O-N 3.15Å; C109-G112 PolarHBondContact O-N 2.93Å; C109-L113 WeakPolarHBondContact O-CB 3.28Å; C109-L113 PolarHBondContact O-N 3.39Å |
| 110 | S | 93.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 172.1 | 180 | 0 | 0 | 0 | 0 | 111.6 | R106 S107 G112 L113 K114 | R106-S110 PolarHBondContact O-N 3.27Å; S107-S110 WeakPolarHBondContact O-CB 3.23Å; S107-S110 PolarHBondContact O-N 3.02Å; S110-G112 VanDerWaalsContact C-N 3.33Å; S110-G112 PolarHBondContact O-N 3.09Å; S110-L113 PolarHBondContact O-N 3.38Å; S110-K114 WeakPolarHBondContact O-CG 3.37Å; S110-K114 PolarHBondContact O-N 2.85Å |
| 111 | I | 92.5 | Very high | 88.7 | Confident | 84 Ų | 84 | 41.1 Ų | 41.1 | 43% | 0.431 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 175.5 | -61.1 | 163.9 | 0 | 0 | 0 | 110.6 | V71 S107 I108 L113 K114 T115 | V71-I111 HydrophobicContact CG1-CG2 3.75Å; S107-I111 VanDerWaalsContact O-CG1 3.28Å; S107-I111 WeakPolarHBondContact O-CG1 3.28Å; S107-I111 PolarHBondContact O-N 3.04Å; I108-I111 PolarHBondContact O-N 2.77Å; I111-L113 VanDerWaalsContact C-N 3.34Å; I111-L113 PolarHBondContact O-N 3.26Å; I111-K114 PolarHBondContact O-N 3.42Å; I111-T115 WeakPolarHBondContact O-CB 3.39Å; I111-T115 PolarHBondContact O-N 2.87Å; I111-T115 PolarHBondContact O-OG1 3.29Å |
| 112 | G | 94.4 | Very high | 89 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I108 C109 S110 T115 V116 | I108-G112 PolarHBondContact O-N 3.38Å; C109-G112 PolarHBondContact O-N 2.93Å; S110-G112 VanDerWaalsContact C-N 3.33Å; S110-G112 PolarHBondContact O-N 3.09Å; G112-T115 WeakPolarHBondContact O-CB 3.11Å; G112-T115 PolarHBondContact O-N 3.24Å; G112-V116 WeakPolarHBondContact O-CG2 3.12Å; G112-V116 PolarHBondContact O-N 3.12Å |
| 113 | L | 95.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -42.5 | 178.9 | -173.9 | 56.4 | 0 | 0 | 0 | 111.7 | V90 L93 V94 C109 S110 I111 T115 V116 V117 L140 V159 | V90-L113 HydrophobicContact CG1-CD1 4.4Å; V90-L113 HydrophobicContact CG2-CD1 4.44Å; L93-L113 HydrophobicContact CB-CB 4.33Å; L93-L113 HydrophobicContact CD1-CB 4.25Å; L93-L113 HydrophobicContact CD1-CD1 4.38Å; V94-L113 HydrophobicContact CG2-CD1 4.37Å; V94-L113 HydrophobicContact CG2-CD2 3.52Å; C109-L113 WeakPolarHBondContact O-CB 3.28Å; C109-L113 PolarHBondContact O-N 3.39Å; S110-L113 PolarHBondContact O-N 3.38Å; I111-L113 VanDerWaalsContact C-N 3.34Å; I111-L113 PolarHBondContact O-N 3.26Å; L113-T115 VanDerWaalsContact C-N 3.29Å; L113-T115 PolarHBondContact O-N 2.88Å; L113-V116 PolarHBondContact O-N 2.96Å; L113-V117 WeakPolarHBondContact O-CB 3.49Å; L113-V117 VanDerWaalsContact O-CG2 3.28Å; L113-V117 WeakPolarHBondContact O-CG2 3.41Å; L113-V117 PolarHBondContact O-N 3.27Å; L113-L140 HydrophobicContact CD2-CD2 4.46Å; L113-V159 HydrophobicContact CD2-CG1 3.65Å; L113-V159 HydrophobicContact CD2-CG2 4.39Å; L113-V159 HydrophobicContact CG-CG1 3.83Å |
| 114 | K | 94.9 | Very high | 88.6 | Confident | 32 Ų | 32 | 42.1 Ų | 42.1 | 14% | 0.139 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 171.4 | -68.5 | 175 | -169.6 | 169.3 | 0 | 111.6 | S110 I111 V116 V117 N118 E158 V159 | S110-K114 WeakPolarHBondContact O-CG 3.37Å; S110-K114 PolarHBondContact O-N 2.85Å; I111-K114 PolarHBondContact O-N 3.42Å; K114-V116 VanDerWaalsContact C-N 3.33Å; K114-V116 PolarHBondContact O-N 2.94Å; K114-V117 PolarHBondContact O-N 2.88Å; K114-N118 VanDerWaalsContact O-CB 3.32Å; K114-N118 WeakPolarHBondContact O-CB 3.34Å; K114-N118 PolarHBondContact O-N 3.28Å; K114-N118 PolarHBondContact O-ND2 3.3Å; K114-E158 IonicContact NZ-OE1 2.87Å; K114-E158 PolarHBondContact NZ-OE1 3.26Å; K114-E158 IonicContact NZ-OE2 2.81Å; K114-E158 PolarHBondContact NZ-OE2 3.49Å; K114-V159 HydrophobicContact CG-CG2 3.96Å |
| 115 | T | 94.3 | Very high | 88.4 | Confident | 36 Ų | 36 | 38.6 Ų | 38.6 | 22% | 0.221 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.4 | -41.5 | 177.9 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | I111 G112 L113 A119 | I111-T115 WeakPolarHBondContact O-CB 3.39Å; I111-T115 PolarHBondContact O-N 2.87Å; I111-T115 PolarHBondContact O-OG1 3.29Å; G112-T115 WeakPolarHBondContact O-CB 3.11Å; G112-T115 PolarHBondContact O-N 3.24Å; L113-T115 VanDerWaalsContact C-N 3.29Å; L113-T115 PolarHBondContact O-N 2.88Å; T115-A119 WeakPolarHBondContact O-CB 3.42Å; T115-A119 PolarHBondContact O-N 3.31Å |
| 116 | V | 94.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -52 | 172.7 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | L74 A78 I86 I89 L93 G112 L113 K114 N118 A119 L120 | L74-V116 HydrophobicContact CB-CG2 3.84Å; L74-V116 HydrophobicContact CD1-CG2 4.38Å; A78-V116 HydrophobicContact CB-CG1 4Å; A78-V116 HydrophobicContact CB-CG2 4.49Å; I86-V116 HydrophobicContact CD1-CG1 3.91Å; I89-V116 HydrophobicContact CG2-CG2 4.02Å; L93-V116 HydrophobicContact CD1-CG2 4.16Å; G112-V116 WeakPolarHBondContact O-CG2 3.12Å; G112-V116 PolarHBondContact O-N 3.12Å; L113-V116 PolarHBondContact O-N 2.96Å; K114-V116 VanDerWaalsContact C-N 3.33Å; K114-V116 PolarHBondContact O-N 2.94Å; V116-N118 VanDerWaalsContact C-N 3.29Å; V116-N118 PolarHBondContact O-N 3.04Å; V116-A119 PolarHBondContact O-N 3.46Å; V116-L120 HydrophobicContact CG1-CD1 4.17Å; V116-L120 HydrophobicContact CG1-CG 4.24Å; V116-L120 WeakPolarHBondContact O-CG 3.24Å; V116-L120 PolarHBondContact O-N 3.07Å |
| 117 | V | 92.7 | Very high | 88.1 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.5 | -41.7 | -179.6 | 169.4 | 0 | 0 | 0 | 0 | 111.6 | L113 K114 A119 P121 E162 I163 F167 | L113-V117 WeakPolarHBondContact O-CB 3.49Å; L113-V117 VanDerWaalsContact O-CG2 3.28Å; L113-V117 WeakPolarHBondContact O-CG2 3.41Å; L113-V117 PolarHBondContact O-N 3.27Å; K114-V117 PolarHBondContact O-N 2.88Å; V117-A119 VanDerWaalsContact C-N 3.32Å; V117-A119 PolarHBondContact O-N 3.38Å; V117-P121 VanDerWaalsContact O-CD 3.32Å; V117-P121 WeakPolarHBondContact O-CD 3.48Å; V117-E162 HydrophobicContact CG1-CB 4.27Å; V117-E162 HydrophobicContact CG1-CG 3.94Å; V117-I163 HydrophobicContact CB-CG1 4.49Å; V117-I163 HydrophobicContact CG1-CG1 3.89Å; V117-I163 HydrophobicContact CG2-CD1 4.27Å; V117-I163 HydrophobicContact CG2-CG1 3.71Å; V117-F167 HydrophobicContact CG1-CD2 4.42Å; V117-F167 HydrophobicContact CG1-CE2 3.98Å; V117-F167 WeakPolarHBondContact O-CE2 3.46Å |
| 118 | N | 90.7 | Very high | 88.1 | Confident | 73 Ų | 73 | 41.6 Ų | 41.6 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -72.2 | -22.2 | 178.7 | -72 | -19.7 | 0 | 0 | 0 | 113.7 | K114 V116 P121 E162 H166 | K114-N118 VanDerWaalsContact O-CB 3.32Å; K114-N118 WeakPolarHBondContact O-CB 3.34Å; K114-N118 PolarHBondContact O-N 3.28Å; K114-N118 PolarHBondContact O-ND2 3.3Å; V116-N118 VanDerWaalsContact C-N 3.29Å; V116-N118 PolarHBondContact O-N 3.04Å; N118-P121 WeakPolarHBondContact O-CD 3.36Å; N118-E162 VanDerWaalsContact OD1-CD 3.3Å; N118-E162 WeakPolarHBondContact OD1-CG 3.4Å; N118-E162 PolarHBondContact OD1-OE1 3.05Å; N118-E162 VanDerWaalsContact OD1-OE1 3.09Å; N118-H166 PolarHBondContact OD1-CD2 3.12Å; N118-H166 PolarHBondContact OD1-NE2 3.25Å |
| 119 | A | 90.4 | Very high | 88.1 | Confident | 11 Ų | 11 | 41.4 Ų | 41.4 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -89.2 | -28.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | G75 A78 T79 T115 V116 V117 P121 N122 | G75-A119 VanDerWaalsContact O-CB 3.29Å; G75-A119 WeakPolarHBondContact O-CB 3.41Å; A78-A119 HydrophobicContact CB-CB 4.44Å; T79-A119 HydrophobicContact CG2-CB 4.31Å; T79-A119 WeakPolarHBondContact CG2-O 3.49Å; T115-A119 WeakPolarHBondContact O-CB 3.42Å; T115-A119 PolarHBondContact O-N 3.31Å; V116-A119 PolarHBondContact O-N 3.46Å; V117-A119 VanDerWaalsContact C-N 3.32Å; V117-A119 PolarHBondContact O-N 3.38Å; A119-P121 VanDerWaalsContact C-N 3.34Å; A119-N122 WeakPolarHBondContact O-CB 3.46Å; A119-N122 PolarHBondContact O-N 2.86Å |
| 120 | L | 89.6 | Confident | 87.9 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -56.1 | -31.2 | -178.7 | -79.6 | 174.9 | 0 | 0 | 0 | 115.6 | I86 V116 N122 A123 V128 I129 A132 F167 | I86-L120 HydrophobicContact CD1-CD2 4.35Å; I86-L120 HydrophobicContact CG1-CD2 4.37Å; V116-L120 HydrophobicContact CG1-CD1 4.17Å; V116-L120 HydrophobicContact CG1-CG 4.24Å; V116-L120 WeakPolarHBondContact O-CG 3.24Å; V116-L120 PolarHBondContact O-N 3.07Å; L120-N122 PolarHBondContact O-N 3.38Å; L120-N122 VanDerWaalsContact O-N 3.12Å; L120-A123 VanDerWaalsContact O-CB 3.25Å; L120-A123 WeakPolarHBondContact O-CB 3.39Å; L120-A123 PolarHBondContact O-N 3.15Å; L120-V128 HydrophobicContact CD2-CG1 4.22Å; L120-I129 HydrophobicContact CB-CG1 4.47Å; L120-I129 HydrophobicContact CD2-CG1 4.43Å; L120-I129 VanDerWaalsContact O-CD1 3.31Å; L120-I129 WeakPolarHBondContact O-CD1 3.35Å; L120-A132 HydrophobicContact CD1-CB 3.68Å; L120-A132 HydrophobicContact CD2-CB 4.47Å; L120-F167 HydrophobicContact CB-CE1 4.44Å; L120-F167 HydrophobicContact CB-CE2 4.08Å; L120-F167 HydrophobicContact CB-CZ 3.5Å; L120-F167 VanDerWaalsContact CB-CZ 3.5Å; L120-F167 HydrophobicContact CD1-CE2 4.37Å; L120-F167 HydrophobicContact CD1-CZ 4.5Å |
| 121 | P | 81.8 | Confident | 87.8 | Confident | 62 Ų | 62 | 46.7 Ų | 46.7 | 40% | 0.403 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -60.9 | -21.6 | 175 | -24 | 35.9 | 0 | 0 | 0 | 113.4 | V117 N118 A119 H166 F167 | V117-P121 VanDerWaalsContact O-CD 3.32Å; V117-P121 WeakPolarHBondContact O-CD 3.48Å; N118-P121 WeakPolarHBondContact O-CD 3.36Å; A119-P121 VanDerWaalsContact C-N 3.34Å; P121-H166 HydrophobicContact CG-CB 4.22Å; P121-F167 HydrophobicContact CG-CE1 4.11Å; P121-F167 HydrophobicContact CG-CZ 3.78Å |
| 122 | N | 79.5 | Confident | 87.7 | Confident | 128 Ų | 128 | 42.8 Ų | 42.8 | 68% | 0.684 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -89.6 | -4.8 | 176.5 | -60.4 | -39.4 | 0 | 0 | 0 | 113.2 | T79 A119 L120 | T79-N122 HydrophobicContact CG2-CB 4.2Å; A119-N122 WeakPolarHBondContact O-CB 3.46Å; A119-N122 PolarHBondContact O-N 2.86Å; L120-N122 PolarHBondContact O-N 3.38Å; L120-N122 VanDerWaalsContact O-N 3.12Å |
| 123 | A | 78.8 | Confident | 87.6 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 12% | 0.116 | 24% | 0.242 | C | C | . | . | trans | -70.9 | 136.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L120 I129 | L120-A123 VanDerWaalsContact O-CB 3.25Å; L120-A123 WeakPolarHBondContact O-CB 3.39Å; L120-A123 PolarHBondContact O-N 3.15Å; A123-I129 HydrophobicContact CB-CD1 4.39Å; A123-I129 HydrophobicContact CB-CG1 4.19Å | ||
| 124 | T | 70.2 | Confident | 87.4 | Confident | 145 Ų | 145 | 51.7 Ų | 51.7 | 89% | 0.89 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -76.2 | -26.6 | -179 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | ||
| 125 | D | 80.2 | Confident | 87.3 | Confident | 78 Ų | 78 | 53.1 Ų | 53.1 | 42% | 0.417 | 28% | 0.281 | S | S | . | . | trans | -97.7 | 110.9 | -174.9 | -170.2 | -12.7 | 0 | 0 | 0 | 111 | V127 V128 I129 | D125-V127 PolarHBondContact O-N 3.43Å; D125-V127 WeakPolarHBondContact OD1-CB 3.2Å; D125-V127 PolarHBondContact OD1-N 2.7Å; D125-V128 HydrophobicContact CB-CB 4.35Å; D125-V128 HydrophobicContact CB-CG2 3.81Å; D125-V128 WeakPolarHBondContact O-CB 3.09Å; D125-V128 PolarHBondContact O-N 3.22Å; D125-I129 PolarHBondContact O-N 3.39Å | ||
| 126 | M | 82.8 | Confident | 87.4 | Confident | 107 Ų | 107 | 51.5 Ų | 51.5 | 53% | 0.527 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.5 | -25.9 | 179.9 | -166 | -178.7 | -176.2 | 0 | 0 | 112.6 | V128 I129 Q130 L170 | M126-V128 VanDerWaalsContact C-N 3.34Å; M126-I129 PolarHBondContact O-N 3.44Å; M126-Q130 WeakPolarHBondContact O-CG 3.29Å; M126-Q130 PolarHBondContact O-N 2.99Å; M126-L170 HydrophobicContact CE-CD2 3.58Å |
| 127 | V | 86.1 | Confident | 87.4 | Confident | 65 Ų | 65 | 51.5 Ų | 51.5 | 39% | 0.394 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 177.4 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | E83 D125 I129 Q130 S131 | E83-V127 HydrophobicContact CG-CG1 4.33Å; D125-V127 PolarHBondContact O-N 3.43Å; D125-V127 WeakPolarHBondContact OD1-CB 3.2Å; D125-V127 PolarHBondContact OD1-N 2.7Å; V127-I129 VanDerWaalsContact C-N 3.32Å; V127-I129 PolarHBondContact O-N 2.85Å; V127-Q130 PolarHBondContact O-N 3.35Å; V127-S131 WeakPolarHBondContact O-CB 3.26Å; V127-S131 PolarHBondContact O-N 2.97Å; V127-S131 PolarHBondContact O-OG 2.9Å |
| 128 | V | 87.7 | Confident | 87.4 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.03 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 175.8 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | I86 L120 D125 M126 A132 | I86-V128 HydrophobicContact CB-CG1 3.92Å; I86-V128 HydrophobicContact CG1-CG1 4.03Å; I86-V128 HydrophobicContact CG2-CB 4.47Å; I86-V128 HydrophobicContact CG2-CG1 3.67Å; L120-V128 HydrophobicContact CD2-CG1 4.22Å; D125-V128 HydrophobicContact CB-CB 4.35Å; D125-V128 HydrophobicContact CB-CG2 3.81Å; D125-V128 WeakPolarHBondContact O-CB 3.09Å; D125-V128 PolarHBondContact O-N 3.22Å; M126-V128 VanDerWaalsContact C-N 3.34Å; V128-A132 VanDerWaalsContact O-CB 3.25Å; V128-A132 WeakPolarHBondContact O-CB 3.34Å; V128-A132 PolarHBondContact O-N 2.91Å |
| 129 | I | 88 | Confident | 87.6 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 9% | 0.087 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.6 | -49.8 | 178.3 | -57.9 | 174.2 | 0 | 0 | 0 | 110.5 | L120 A123 D125 M126 V127 S131 A132 V133 F167 L170 | L120-I129 HydrophobicContact CB-CG1 4.47Å; L120-I129 HydrophobicContact CD2-CG1 4.43Å; L120-I129 VanDerWaalsContact O-CD1 3.31Å; L120-I129 WeakPolarHBondContact O-CD1 3.35Å; A123-I129 HydrophobicContact CB-CD1 4.39Å; A123-I129 HydrophobicContact CB-CG1 4.19Å; D125-I129 PolarHBondContact O-N 3.39Å; M126-I129 PolarHBondContact O-N 3.44Å; V127-I129 VanDerWaalsContact C-N 3.32Å; V127-I129 PolarHBondContact O-N 2.85Å; I129-S131 PolarHBondContact O-N 3.31Å; I129-A132 PolarHBondContact O-N 2.9Å; I129-V133 HydrophobicContact CG2-CG2 4.43Å; I129-V133 WeakPolarHBondContact O-CB 3.49Å; I129-V133 VanDerWaalsContact O-CG2 3.26Å; I129-V133 WeakPolarHBondContact O-CG2 3.31Å; I129-V133 PolarHBondContact O-N 3Å; I129-F167 HydrophobicContact CG2-CD1 3.62Å; I129-F167 HydrophobicContact CG2-CE1 3.42Å; I129-F167 VanDerWaalsContact CG2-CE1 3.42Å; I129-F167 HydrophobicContact CG2-CG 4.35Å; I129-F167 HydrophobicContact CG2-CZ 3.99Å; I129-L170 HydrophobicContact CG2-CD1 3.98Å |
| 130 | Q | 88.8 | Confident | 87.9 | Confident | 96 Ų | 96 | 52.6 Ų | 52.6 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.8 | -44.6 | -179.3 | -75.5 | -176.3 | -6.9 | 0 | 0 | 112.4 | M126 V127 V133 R134 L170 | M126-Q130 WeakPolarHBondContact O-CG 3.29Å; M126-Q130 PolarHBondContact O-N 2.99Å; V127-Q130 PolarHBondContact O-N 3.35Å; Q130-V133 PolarHBondContact O-N 2.96Å; Q130-R134 WeakPolarHBondContact O-CB 3.02Å; Q130-R134 PolarHBondContact O-N 3.03Å; Q130-L170 HydrophobicContact CG-CD1 4.42Å |
| 131 | S | 89.9 | Confident | 88.2 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.6 | -39.4 | -179.7 | -67.8 | 0 | 0 | 0 | 0 | 112 | E83 V127 I129 E135 | E83-S131 PolarHBondContact OE1-OG 2.86Å; V127-S131 WeakPolarHBondContact O-CB 3.26Å; V127-S131 PolarHBondContact O-N 2.97Å; V127-S131 PolarHBondContact O-OG 2.9Å; I129-S131 PolarHBondContact O-N 3.31Å; S131-E135 VanDerWaalsContact O-CB 3.29Å; S131-E135 WeakPolarHBondContact O-CB 3.3Å; S131-E135 PolarHBondContact O-N 2.68Å |
| 132 | A | 91.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I86 V90 L120 V128 I129 E135 A136 | I86-A132 HydrophobicContact CG1-CB 3.76Å; I86-A132 HydrophobicContact CG2-CB 4.31Å; V90-A132 HydrophobicContact CG2-CB 4.04Å; L120-A132 HydrophobicContact CD1-CB 3.68Å; L120-A132 HydrophobicContact CD2-CB 4.47Å; V128-A132 VanDerWaalsContact O-CB 3.25Å; V128-A132 WeakPolarHBondContact O-CB 3.34Å; V128-A132 PolarHBondContact O-N 2.91Å; I129-A132 PolarHBondContact O-N 2.9Å; A132-E135 PolarHBondContact O-N 3.48Å; A132-A136 WeakPolarHBondContact O-CB 3.35Å; A132-A136 PolarHBondContact O-N 2.94Å; A132-A136 VanDerWaalsContact O-N 3.12Å |
| 133 | V | 91.8 | Very high | 89.5 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 179.3 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | I129 Q130 E135 A136 I137 I163 F167 L171 | I129-V133 HydrophobicContact CG2-CG2 4.43Å; I129-V133 WeakPolarHBondContact O-CB 3.49Å; I129-V133 VanDerWaalsContact O-CG2 3.26Å; I129-V133 WeakPolarHBondContact O-CG2 3.31Å; I129-V133 PolarHBondContact O-N 3Å; Q130-V133 PolarHBondContact O-N 2.96Å; V133-E135 VanDerWaalsContact C-N 3.31Å; V133-E135 PolarHBondContact O-N 2.96Å; V133-A136 PolarHBondContact O-N 2.94Å; V133-I137 WeakPolarHBondContact O-CB 3.4Å; V133-I137 PolarHBondContact O-N 3.37Å; V133-I163 HydrophobicContact CG1-CG2 3.91Å; V133-I163 HydrophobicContact CG2-CG2 4.37Å; V133-F167 HydrophobicContact CG2-CB 4.08Å; V133-F167 HydrophobicContact CG2-CD2 3.66Å; V133-F167 HydrophobicContact CG2-CE2 4.29Å; V133-F167 HydrophobicContact CG2-CG 3.88Å; V133-L171 HydrophobicContact CG1-CD2 3.39Å; V133-L171 HydrophobicContact CG1-CG 4.38Å |
| 134 | R | 90.4 | Very high | 90.3 | Very high | 181 Ų | 181 | 48.9 Ų | 48.9 | 68% | 0.683 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.5 | -39.2 | 179.7 | -177.2 | -178.4 | 177.1 | -152.3 | -1.2 | 112.3 | Q130 | Q130-R134 WeakPolarHBondContact O-CB 3.02Å; Q130-R134 PolarHBondContact O-N 3.03Å |
| 135 | E | 93.7 | Very high | 91.3 | Very high | 62 Ų | 62 | 44.7 Ų | 44.7 | 29% | 0.29 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -72.1 | -34.3 | 179.3 | -166.6 | 64.3 | -132.9 | 0 | 0 | 112.1 | I87 V90 K91 S131 A132 V133 P139 | I87-E135 HydrophobicContact CG2-CG 4.26Å; V90-E135 HydrophobicContact CG1-CB 4.1Å; V90-E135 HydrophobicContact CG1-CG 4.23Å; K91-E135 HydrophobicContact CD-CG 4.41Å; K91-E135 WeakPolarHBondContact CE-OE1 3.45Å; K91-E135 WeakPolarHBondContact CE-OE2 3.29Å; K91-E135 HydrophobicContact CG-CG 3.63Å; K91-E135 IonicContact NZ-OE1 3.79Å; K91-E135 IonicContact NZ-OE2 3.73Å; S131-E135 VanDerWaalsContact O-CB 3.29Å; S131-E135 WeakPolarHBondContact O-CB 3.3Å; S131-E135 PolarHBondContact O-N 2.68Å; A132-E135 PolarHBondContact O-N 3.48Å; V133-E135 VanDerWaalsContact C-N 3.31Å; V133-E135 PolarHBondContact O-N 2.96Å; E135-P139 WeakPolarHBondContact O-CD 3.18Å |
| 136 | A | 95 | Very high | 91.8 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -76.7 | -38.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V90 V94 A132 V133 S138 P139 L140 I163 | V90-A136 HydrophobicContact CG1-CB 3.75Å; V94-A136 HydrophobicContact CG2-CB 4.37Å; A132-A136 WeakPolarHBondContact O-CB 3.35Å; A132-A136 PolarHBondContact O-N 2.94Å; A132-A136 VanDerWaalsContact O-N 3.12Å; V133-A136 PolarHBondContact O-N 2.94Å; A136-S138 PolarHBondContact O-N 2.72Å; A136-P139 WeakPolarHBondContact O-CD 3.47Å; A136-L140 HydrophobicContact CB-CD1 3.94Å; A136-L140 VanDerWaalsContact O-CB 3.31Å; A136-L140 WeakPolarHBondContact O-CB 3.43Å; A136-L140 WeakPolarHBondContact O-CD1 3.29Å; A136-L140 WeakPolarHBondContact O-CG 3.23Å; A136-L140 PolarHBondContact O-N 3.19Å; A136-L140 VanDerWaalsContact O-N 3.16Å; A136-I163 HydrophobicContact CB-CD1 4Å |
| 137 | I | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.5 | -45 | -161.7 | -156.7 | 77.1 | 0 | 0 | 0 | 114 | V133 L141 L160 I163 L171 Y174 L178 | V133-I137 WeakPolarHBondContact O-CB 3.4Å; V133-I137 PolarHBondContact O-N 3.37Å; I137-L141 HydrophobicContact CG1-CD1 4.26Å; I137-L141 WeakPolarHBondContact O-CB 3.44Å; I137-L141 WeakPolarHBondContact O-CG 3.4Å; I137-L141 PolarHBondContact O-N 3.12Å; I137-L160 HydrophobicContact CD1-CD2 3.53Å; I137-L160 HydrophobicContact CG1-CD2 4.32Å; I137-I163 HydrophobicContact CD1-CG2 4.15Å; I137-L171 HydrophobicContact CD1-CD1 3.98Å; I137-L171 HydrophobicContact CD1-CD2 3.93Å; I137-L171 HydrophobicContact CG1-CD2 4.21Å; I137-Y174 HydrophobicContact CG1-CG 4.44Å; I137-Y174 HydrophobicContact CG2-CD1 4.08Å; I137-Y174 HydrophobicContact CG2-CD2 4.25Å; I137-Y174 HydrophobicContact CG2-CE1 3.75Å; I137-Y174 HydrophobicContact CG2-CE2 3.94Å; I137-Y174 HydrophobicContact CG2-CG 4.31Å; I137-L178 HydrophobicContact CD1-CD2 4.13Å |
| 138 | S | 93.9 | Very high | 92.3 | Very high | 74 Ų | 74 | 47 Ų | 47 | 52% | 0.517 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.9 | -48.2 | -173.5 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | A136 L140 L141 H142 | A136-S138 PolarHBondContact O-N 2.72Å; S138-L140 VanDerWaalsContact C-N 3.33Å; S138-L140 PolarHBondContact O-N 3.1Å; S138-L141 PolarHBondContact O-N 3.17Å; S138-H142 PolarHBondContact O-N 2.48Å; S138-H142 VanDerWaalsContact O-N 3.08Å |
| 139 | P | 94.6 | Very high | 92.4 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 172.9 | -22.9 | 32.7 | 0 | 0 | 0 | 112.7 | V94 E135 A136 L141 H142 M143 | V94-P139 HydrophobicContact CG1-CB 3.46Å; V94-P139 VanDerWaalsContact CG1-CB 3.46Å; V94-P139 HydrophobicContact CG1-CG 4.03Å; E135-P139 WeakPolarHBondContact O-CD 3.18Å; A136-P139 WeakPolarHBondContact O-CD 3.47Å; P139-L141 PolarHBondContact O-N 3.36Å; P139-H142 WeakPolarHBondContact O-CB 3.32Å; P139-H142 PolarHBondContact O-N 3.14Å; P139-M143 VanDerWaalsContact O-CG 3.25Å; P139-M143 WeakPolarHBondContact O-CG 3.29Å; P139-M143 PolarHBondContact O-N 3.04Å |
| 140 | L | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.7 | -43 | 178.8 | -73.7 | 173.2 | 0 | 0 | 0 | 112.3 | M97 L113 A136 S138 H142 M143 V144 A156 V159 L160 I163 | M97-L140 HydrophobicContact CE-CD2 3.2Å; L113-L140 HydrophobicContact CD2-CD2 4.46Å; A136-L140 HydrophobicContact CB-CD1 3.94Å; A136-L140 VanDerWaalsContact O-CB 3.31Å; A136-L140 WeakPolarHBondContact O-CB 3.43Å; A136-L140 WeakPolarHBondContact O-CD1 3.29Å; A136-L140 WeakPolarHBondContact O-CG 3.23Å; A136-L140 PolarHBondContact O-N 3.19Å; A136-L140 VanDerWaalsContact O-N 3.16Å; S138-L140 VanDerWaalsContact C-N 3.33Å; S138-L140 PolarHBondContact O-N 3.1Å; L140-H142 VanDerWaalsContact C-N 3.31Å; L140-H142 PolarHBondContact O-N 3.09Å; L140-M143 HydrophobicContact CD2-SD 4.48Å; L140-M143 PolarHBondContact O-N 3.46Å; L140-V144 WeakPolarHBondContact O-CG2 3.37Å; L140-V144 PolarHBondContact O-N 2.93Å; L140-A156 HydrophobicContact CD2-CB 3.97Å; L140-V159 HydrophobicContact CD1-CB 4.28Å; L140-V159 HydrophobicContact CD1-CG1 3.6Å; L140-V159 HydrophobicContact CD2-CB 4.24Å; L140-V159 HydrophobicContact CD2-CG1 4.22Å; L140-L160 HydrophobicContact CB-CD1 4.14Å; L140-L160 HydrophobicContact CB-CD2 3.59Å; L140-L160 HydrophobicContact CB-CG 3.74Å; L140-L160 HydrophobicContact CD1-CD2 3.9Å; L140-L160 HydrophobicContact CD1-CG 4.25Å; L140-L160 HydrophobicContact CG-CD2 4.4Å; L140-I163 HydrophobicContact CD1-CD1 3.56Å |
| 141 | L | 94.9 | Very high | 92.5 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.5 | -44.5 | 174.4 | -83.3 | 168.9 | 0 | 0 | 0 | 111.5 | I137 S138 P139 V144 M145 L160 D177 L178 C181 | I137-L141 HydrophobicContact CG1-CD1 4.26Å; I137-L141 WeakPolarHBondContact O-CB 3.44Å; I137-L141 WeakPolarHBondContact O-CG 3.4Å; I137-L141 PolarHBondContact O-N 3.12Å; S138-L141 PolarHBondContact O-N 3.17Å; P139-L141 PolarHBondContact O-N 3.36Å; L141-V144 PolarHBondContact O-N 2.86Å; L141-M145 WeakPolarHBondContact O-CG 3.06Å; L141-M145 PolarHBondContact O-N 2.86Å; L141-L160 HydrophobicContact CD2-CD1 4.15Å; L141-L160 HydrophobicContact CG-CD1 4.34Å; L141-D177 HydrophobicContact CD1-CB 4.28Å; L141-L178 HydrophobicContact CD1-CD2 4.4Å; L141-L178 HydrophobicContact CD2-CD2 3.76Å; L141-L178 HydrophobicContact CD2-CG 4.39Å; L141-L178 HydrophobicContact CG-CD2 4.23Å; L141-C181 HydrophobicContact CD2-CB 3.66Å |
| 142 | H | 94.1 | Very high | 92.6 | Very high | 106 Ų | 106 | 50.6 Ų | 50.6 | 49% | 0.491 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61 | -49.2 | 175.2 | -178.5 | -96.4 | 0 | 0 | 0 | 111 | E98 S138 P139 L140 V144 M145 S146 | E98-H142 IonicContact OE1-ND1 3.71Å; S138-H142 PolarHBondContact O-N 2.48Å; S138-H142 VanDerWaalsContact O-N 3.08Å; P139-H142 WeakPolarHBondContact O-CB 3.32Å; P139-H142 PolarHBondContact O-N 3.14Å; L140-H142 VanDerWaalsContact C-N 3.31Å; L140-H142 PolarHBondContact O-N 3.09Å; H142-V144 VanDerWaalsContact C-N 3.32Å; H142-V144 PolarHBondContact O-N 2.86Å; H142-M145 PolarHBondContact O-N 3.35Å; H142-M145 VanDerWaalsContact O-N 3.09Å; H142-S146 PolarHBondContact CD2-OG 2.87Å; H142-S146 VanDerWaalsContact CD2-OG 3.24Å; H142-S146 PolarHBondContact CE1-OG 2.93Å; H142-S146 PolarHBondContact ND1-OG 3.37Å; H142-S146 PolarHBondContact NE2-OG 3.27Å; H142-S146 PolarHBondContact O-N 3.44Å; H142-S146 PolarHBondContact O-OG 2.79Å |
| 143 | M | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.5 | -43 | 179.7 | -70.8 | 173.2 | 71.3 | 0 | 0 | 112.6 | M97 E98 P139 L140 M145 H147 V152 R153 A156 | M97-M143 HydrophobicContact CB-CE 4.2Å; M97-M143 HydrophobicContact CE-CE 3.42Å; M97-M143 VanDerWaalsContact CE-CE 3.42Å; M97-M143 HydrophobicContact CE-SD 3.62Å; M97-M143 HydrophobicContact CG-CE 3.84Å; M97-M143 HydrophobicContact SD-CE 4.36Å; E98-M143 HydrophobicContact CB-CE 4Å; E98-M143 HydrophobicContact CB-CG 4.28Å; E98-M143 HydrophobicContact CB-SD 3.86Å; E98-M143 HydrophobicContact CG-CG 4.13Å; E98-M143 HydrophobicContact CG-SD 4.37Å; P139-M143 VanDerWaalsContact O-CG 3.25Å; P139-M143 WeakPolarHBondContact O-CG 3.29Å; P139-M143 PolarHBondContact O-N 3.04Å; L140-M143 HydrophobicContact CD2-SD 4.48Å; L140-M143 PolarHBondContact O-N 3.46Å; M143-M145 VanDerWaalsContact C-N 3.34Å; M143-M145 PolarHBondContact O-N 3.39Å; M143-H147 WeakPolarHBondContact O-CB 3.22Å; M143-H147 PolarHBondContact O-N 3.17Å; M143-V152 HydrophobicContact CE-CG1 3.17Å; M143-R153 WeakPolarHBondContact O-CG 3.44Å; M143-A156 HydrophobicContact CB-CB 3.78Å; M143-A156 HydrophobicContact CE-CB 4.26Å |
| 144 | V | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 178.5 | 175.3 | 0 | 0 | 0 | 0 | 112.2 | L140 L141 H142 R153 A156 C157 L160 C181 C185 | L140-V144 WeakPolarHBondContact O-CG2 3.37Å; L140-V144 PolarHBondContact O-N 2.93Å; L141-V144 PolarHBondContact O-N 2.86Å; H142-V144 VanDerWaalsContact C-N 3.32Å; H142-V144 PolarHBondContact O-N 2.86Å; V144-R153 PolarHBondContact O-NE 3.47Å; V144-R153 PolarHBondContact O-NH2 2.93Å; V144-A156 HydrophobicContact CG2-CB 3.67Å; V144-C157 HydrophobicContact CG1-CB 4.32Å; V144-C157 HydrophobicContact CG2-CB 3.83Å; V144-C157 VanDerWaalsContact CG2-N 3.31Å; V144-L160 HydrophobicContact CG2-CD1 3.88Å; V144-C181 VanDerWaalsContact CG1-SG 3.54Å; V144-C185 WeakPolarHBondContact CG1-SG 3.32Å |
| 145 | M | 91.9 | Very high | 92.9 | Very high | 58 Ų | 58 | 45.2 Ų | 45.2 | 29% | 0.286 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -84.5 | -38.4 | -172.5 | -71.5 | -64.3 | -68 | 0 | 0 | 114.1 | L141 H142 M143 C181 T184 | L141-M145 WeakPolarHBondContact O-CG 3.06Å; L141-M145 PolarHBondContact O-N 2.86Å; H142-M145 PolarHBondContact O-N 3.35Å; H142-M145 VanDerWaalsContact O-N 3.09Å; M143-M145 VanDerWaalsContact C-N 3.34Å; M143-M145 PolarHBondContact O-N 3.39Å; M145-C181 HydrophobicContact CG-CB 4.2Å; M145-C181 HydrophobicContact SD-CB 4.05Å; M145-T184 HydrophobicContact CE-CG2 3.85Å; M145-T184 HydrophobicContact SD-CG2 4.23Å |
| 146 | S | 90 | Very high | 93 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 43% | 0.427 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -124.6 | -6.3 | -165.5 | 62.9 | 0 | 0 | 0 | 0 | 115.2 | H142 | H142-S146 PolarHBondContact CD2-OG 2.87Å; H142-S146 VanDerWaalsContact CD2-OG 3.24Å; H142-S146 PolarHBondContact CE1-OG 2.93Å; H142-S146 PolarHBondContact ND1-OG 3.37Å; H142-S146 PolarHBondContact NE2-OG 3.27Å; H142-S146 PolarHBondContact O-N 3.44Å; H142-S146 PolarHBondContact O-OG 2.79Å |
| 147 | H | 91.5 | Very high | 93.1 | Very high | 42 Ų | 42 | 42.2 Ų | 42.2 | 19% | 0.194 | 22% | 0.223 | C | C | . | . | trans | -69.9 | 143.9 | -178.9 | -162 | -89.6 | 0 | 0 | 0 | 111.8 | E98 M143 D149 R153 | E98-H147 PolarHBondContact O-NE2 3.11Å; M143-H147 WeakPolarHBondContact O-CB 3.22Å; M143-H147 PolarHBondContact O-N 3.17Å; H147-D149 PolarHBondContact ND1-N 3.02Å; H147-D149 VanDerWaalsContact ND1-N 3.11Å; H147-D149 PolarHBondContact ND1-O 3.16Å; H147-R153 HydrophobicContact CB-CG 4.05Å; H147-R153 WeakPolarHBondContact O-CD 3.02Å | ||
| 148 | Q | 88.3 | Confident | 93.1 | Very high | 196 Ų | 196 | 44.5 Ų | 44.5 | 92% | 0.916 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -77.3 | -31.1 | -175.8 | -63.3 | 179.6 | 4.3 | 0 | 0 | 113.2 | ||
| 149 | D | 89.9 | Confident | 93.2 | Very high | 53 Ų | 53 | 41 Ų | 41 | 28% | 0.283 | 21% | 0.209 | S | C | . | . | trans | -89.9 | 116.9 | 179.7 | -174 | -15.9 | 0 | 0 | 0 | 111.2 | R106 H147 N151 V152 R153 | R106-D149 IonicContact NH1-OD2 3.53Å; R106-D149 PolarHBondContact NH1-OD2 3.15Å; H147-D149 PolarHBondContact ND1-N 3.02Å; H147-D149 VanDerWaalsContact ND1-N 3.11Å; H147-D149 PolarHBondContact ND1-O 3.16Å; D149-N151 VanDerWaalsContact C-N 3.28Å; D149-N151 PolarHBondContact O-N 2.83Å; D149-N151 WeakPolarHBondContact OD1-CB 3.4Å; D149-N151 PolarHBondContact OD1-N 3.29Å; D149-V152 HydrophobicContact CB-CB 4.31Å; D149-V152 HydrophobicContact CB-CG2 3.95Å; D149-V152 WeakPolarHBondContact O-CB 3.02Å; D149-V152 PolarHBondContact O-N 2.87Å; D149-R153 WeakPolarHBondContact O-CG 3.27Å; D149-R153 PolarHBondContact O-N 3.32Å | ||
| 150 | D | 90.3 | Very high | 93.2 | Very high | 52 Ų | 52 | 39.1 Ų | 39.1 | 28% | 0.278 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.5 | -28.8 | 179.7 | -81.4 | -23.7 | 0 | 0 | 0 | 113.6 | V152 R153 V154 Q190 | D150-V152 VanDerWaalsContact C-N 3.33Å; D150-V152 PolarHBondContact O-N 3.41Å; D150-R153 WeakPolarHBondContact O-CB 3.27Å; D150-R153 PolarHBondContact O-N 3.17Å; D150-R153 WeakPolarHBondContact OD1-CD 3.13Å; D150-R153 IonicContact OD1-CZ 3.76Å; D150-R153 IonicContact OD1-NH1 3.1Å; D150-R153 PolarHBondContact OD1-NH1 3.1Å; D150-V154 VanDerWaalsContact O-CG2 3.28Å; D150-V154 WeakPolarHBondContact O-CG2 3.31Å; D150-V154 PolarHBondContact O-N 3.06Å; D150-Q190 HydrophobicContact CB-CG 4.29Å |
| 151 | N | 89.5 | Confident | 93.2 | Very high | 104 Ų | 104 | 39.1 Ų | 39.1 | 56% | 0.556 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -65.5 | -41.6 | 176.7 | -68.3 | -40.5 | 0 | 0 | 0 | 110.7 | D149 R153 V154 E155 | D149-N151 VanDerWaalsContact C-N 3.28Å; D149-N151 PolarHBondContact O-N 2.83Å; D149-N151 WeakPolarHBondContact OD1-CB 3.4Å; D149-N151 PolarHBondContact OD1-N 3.29Å; N151-R153 VanDerWaalsContact C-N 3.32Å; N151-R153 PolarHBondContact O-N 2.76Å; N151-V154 PolarHBondContact O-N 2.77Å; N151-E155 WeakPolarHBondContact O-CG 3.36Å; N151-E155 PolarHBondContact O-N 3.39Å |
| 152 | V | 91.7 | Very high | 93.1 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -38.9 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | R106 M143 D149 D150 E155 A156 | R106-V152 VanDerWaalsContact NH1-CG2 3.29Å; M143-V152 HydrophobicContact CE-CG1 3.17Å; D149-V152 HydrophobicContact CB-CB 4.31Å; D149-V152 HydrophobicContact CB-CG2 3.95Å; D149-V152 WeakPolarHBondContact O-CB 3.02Å; D149-V152 PolarHBondContact O-N 2.87Å; D150-V152 VanDerWaalsContact C-N 3.33Å; D150-V152 PolarHBondContact O-N 3.41Å; V152-E155 PolarHBondContact O-N 3Å; V152-A156 VanDerWaalsContact O-CB 3.25Å; V152-A156 WeakPolarHBondContact O-CB 3.5Å; V152-A156 PolarHBondContact O-N 3.01Å |
| 153 | R | 94.3 | Very high | 93.1 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 12% | 0.117 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 174.7 | -61.7 | 172.8 | 72.1 | -164.3 | 5.5 | 111.7 | M143 V144 H147 D149 D150 N151 C157 C188 L193 | M143-R153 WeakPolarHBondContact O-CG 3.44Å; V144-R153 PolarHBondContact O-NE 3.47Å; V144-R153 PolarHBondContact O-NH2 2.93Å; H147-R153 HydrophobicContact CB-CG 4.05Å; H147-R153 WeakPolarHBondContact O-CD 3.02Å; D149-R153 WeakPolarHBondContact O-CG 3.27Å; D149-R153 PolarHBondContact O-N 3.32Å; D150-R153 WeakPolarHBondContact O-CB 3.27Å; D150-R153 PolarHBondContact O-N 3.17Å; D150-R153 WeakPolarHBondContact OD1-CD 3.13Å; D150-R153 IonicContact OD1-CZ 3.76Å; D150-R153 IonicContact OD1-NH1 3.1Å; D150-R153 PolarHBondContact OD1-NH1 3.1Å; N151-R153 VanDerWaalsContact C-N 3.32Å; N151-R153 PolarHBondContact O-N 2.76Å; R153-C157 WeakPolarHBondContact O-CB 3.47Å; R153-C157 PolarHBondContact O-N 3.11Å; R153-C188 PolarHBondContact NH2-SG 3.35Å; R153-C188 VanDerWaalsContact NH2-SG 3.39Å; R153-L193 HydrophobicContact CB-CD1 4.35Å; R153-L193 HydrophobicContact CB-CD2 4.28Å |
| 154 | V | 94 | Very high | 93 | Very high | 17 Ų | 17 | 34.9 Ų | 34.9 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | D150 N151 C157 E158 Q190 T192 L193 R196 | D150-V154 VanDerWaalsContact O-CG2 3.28Å; D150-V154 WeakPolarHBondContact O-CG2 3.31Å; D150-V154 PolarHBondContact O-N 3.06Å; N151-V154 PolarHBondContact O-N 2.77Å; V154-C157 PolarHBondContact O-N 3.05Å; V154-E158 WeakPolarHBondContact O-CB 3.35Å; V154-E158 PolarHBondContact O-N 2.94Å; V154-Q190 HydrophobicContact CG2-CG 4.39Å; V154-T192 HydrophobicContact CG1-CG2 4.26Å; V154-L193 HydrophobicContact CG2-CB 3.88Å; V154-L193 HydrophobicContact CG2-CD1 4.39Å; V154-R196 HydrophobicContact CG1-CG 4.2Å |
| 155 | E | 92.6 | Very high | 92.7 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 14% | 0.136 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 178.4 | -73.2 | -174.7 | 167.4 | 0 | 0 | 111.8 | S107 N151 V152 C157 E158 V159 | S107-E155 VanDerWaalsContact CA-OE1 3.23Å; S107-E155 WeakPolarHBondContact CA-OE1 3.29Å; S107-E155 WeakPolarHBondContact CB-OE1 3.27Å; S107-E155 PolarHBondContact OG-OE1 3.12Å; N151-E155 WeakPolarHBondContact O-CG 3.36Å; N151-E155 PolarHBondContact O-N 3.39Å; V152-E155 PolarHBondContact O-N 3Å; E155-C157 VanDerWaalsContact C-N 3.34Å; E155-C157 PolarHBondContact O-N 3.08Å; E155-E158 PolarHBondContact O-N 2.98Å; E155-V159 WeakPolarHBondContact O-CG2 3.34Å; E155-V159 PolarHBondContact O-N 3.24Å |
| 156 | A | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M97 L140 M143 V144 V152 V159 L160 | M97-A156 HydrophobicContact CE-CB 4.19Å; L140-A156 HydrophobicContact CD2-CB 3.97Å; M143-A156 HydrophobicContact CB-CB 3.78Å; M143-A156 HydrophobicContact CE-CB 4.26Å; V144-A156 HydrophobicContact CG2-CB 3.67Å; V152-A156 VanDerWaalsContact O-CB 3.25Å; V152-A156 WeakPolarHBondContact O-CB 3.5Å; V152-A156 PolarHBondContact O-N 3.01Å; A156-V159 PolarHBondContact O-N 2.71Å; A156-L160 WeakPolarHBondContact O-CG 3.3Å; A156-L160 PolarHBondContact O-N 2.79Å |
| 157 | C | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -40.5 | 176.5 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | V144 R153 V154 E155 L160 A161 L193 R196 | V144-C157 HydrophobicContact CG1-CB 4.32Å; V144-C157 HydrophobicContact CG2-CB 3.83Å; V144-C157 VanDerWaalsContact CG2-N 3.31Å; R153-C157 WeakPolarHBondContact O-CB 3.47Å; R153-C157 PolarHBondContact O-N 3.11Å; V154-C157 PolarHBondContact O-N 3.05Å; E155-C157 VanDerWaalsContact C-N 3.34Å; E155-C157 PolarHBondContact O-N 3.08Å; C157-L160 PolarHBondContact O-N 2.87Å; C157-A161 WeakPolarHBondContact O-CB 3.47Å; C157-A161 PolarHBondContact O-N 2.93Å; C157-L193 HydrophobicContact CB-CD1 3.71Å; C157-R196 HydrophobicContact CB-CB 4.33Å |
| 158 | E | 95.1 | Very high | 92.1 | Very high | 48 Ų | 48 | 33.9 Ų | 33.9 | 22% | 0.224 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.7 | -40.1 | 177.1 | -163 | -178 | 164.8 | 0 | 0 | 112.2 | K114 V154 E155 A161 E162 R196 | K114-E158 IonicContact NZ-OE1 2.87Å; K114-E158 PolarHBondContact NZ-OE1 3.26Å; K114-E158 IonicContact NZ-OE2 2.81Å; K114-E158 PolarHBondContact NZ-OE2 3.49Å; V154-E158 WeakPolarHBondContact O-CB 3.35Å; V154-E158 PolarHBondContact O-N 2.94Å; E155-E158 PolarHBondContact O-N 2.98Å; E158-A161 WeakPolarHBondContact O-CB 3.43Å; E158-A161 PolarHBondContact O-N 2.84Å; E158-E162 PolarHBondContact O-N 3.48Å; E158-E162 VanDerWaalsContact O-N 3.08Å; E158-R196 IonicContact OE1-CZ 2.63Å; E158-R196 IonicContact OE1-NH1 3.39Å; E158-R196 IonicContact OE1-NH2 3.26Å; E158-R196 IonicContact OE2-CZ 3.28Å; E158-R196 IonicContact OE2-NH2 3.65Å |
| 159 | V | 95.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 172.4 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | L113 K114 L140 E155 A156 A161 E162 I163 | L113-V159 HydrophobicContact CD2-CG1 3.65Å; L113-V159 HydrophobicContact CD2-CG2 4.39Å; L113-V159 HydrophobicContact CG-CG1 3.83Å; K114-V159 HydrophobicContact CG-CG2 3.96Å; L140-V159 HydrophobicContact CD1-CB 4.28Å; L140-V159 HydrophobicContact CD1-CG1 3.6Å; L140-V159 HydrophobicContact CD2-CB 4.24Å; L140-V159 HydrophobicContact CD2-CG1 4.22Å; E155-V159 WeakPolarHBondContact O-CG2 3.34Å; E155-V159 PolarHBondContact O-N 3.24Å; A156-V159 PolarHBondContact O-N 2.71Å; V159-A161 VanDerWaalsContact C-N 3.3Å; V159-A161 PolarHBondContact O-N 3.26Å; V159-E162 PolarHBondContact O-N 3.41Å; V159-I163 HydrophobicContact CG1-CD1 3.91Å; V159-I163 HydrophobicContact CG1-CG1 4.35Å; V159-I163 WeakPolarHBondContact O-CG1 3.38Å; V159-I163 PolarHBondContact O-N 2.94Å |
| 160 | L | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.6 | -42.4 | 175.1 | -76.9 | 177 | 0 | 0 | 0 | 111.7 | I137 L140 L141 V144 A156 C157 E162 I163 I164 L178 M182 | I137-L160 HydrophobicContact CD1-CD2 3.53Å; I137-L160 HydrophobicContact CG1-CD2 4.32Å; L140-L160 HydrophobicContact CB-CD1 4.14Å; L140-L160 HydrophobicContact CB-CD2 3.59Å; L140-L160 HydrophobicContact CB-CG 3.74Å; L140-L160 HydrophobicContact CD1-CD2 3.9Å; L140-L160 HydrophobicContact CD1-CG 4.25Å; L140-L160 HydrophobicContact CG-CD2 4.4Å; L141-L160 HydrophobicContact CD2-CD1 4.15Å; L141-L160 HydrophobicContact CG-CD1 4.34Å; V144-L160 HydrophobicContact CG2-CD1 3.88Å; A156-L160 WeakPolarHBondContact O-CG 3.3Å; A156-L160 PolarHBondContact O-N 2.79Å; C157-L160 PolarHBondContact O-N 2.87Å; L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 2.84Å; L160-I163 PolarHBondContact O-N 3.2Å; L160-I164 WeakPolarHBondContact O-CD1 3.42Å; L160-I164 WeakPolarHBondContact O-CG1 3.36Å; L160-I164 PolarHBondContact O-N 3.18Å; L160-L178 HydrophobicContact CD2-CD2 4.23Å; L160-M182 HydrophobicContact CB-CE 4.2Å; L160-M182 HydrophobicContact CD1-CE 3.68Å |
| 161 | A | 94.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.4 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C157 E158 V159 I164 N165 A200 Y203 | C157-A161 WeakPolarHBondContact O-CB 3.47Å; C157-A161 PolarHBondContact O-N 2.93Å; E158-A161 WeakPolarHBondContact O-CB 3.43Å; E158-A161 PolarHBondContact O-N 2.84Å; V159-A161 VanDerWaalsContact C-N 3.3Å; V159-A161 PolarHBondContact O-N 3.26Å; A161-I164 PolarHBondContact O-N 2.96Å; A161-N165 WeakPolarHBondContact O-CB 3.49Å; A161-N165 PolarHBondContact O-N 3.12Å; A161-A200 HydrophobicContact CB-CB 3.89Å; A161-Y203 HydrophobicContact CB-CD2 4.32Å; A161-Y203 HydrophobicContact CB-CE2 4.26Å; A161-Y203 VanDerWaalsContact O-CD2 3.32Å; A161-Y203 WeakPolarHBondContact O-CD2 3.45Å |
| 162 | E | 93.3 | Very high | 91.2 | Very high | 38 Ų | 38 | 25.4 Ų | 25.4 | 18% | 0.178 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.6 | -40.9 | 176.9 | -159.5 | 63.9 | -127.6 | 0 | 0 | 112.2 | V117 N118 E158 V159 L160 I164 N165 H166 | V117-E162 HydrophobicContact CG1-CB 4.27Å; V117-E162 HydrophobicContact CG1-CG 3.94Å; N118-E162 VanDerWaalsContact OD1-CD 3.3Å; N118-E162 WeakPolarHBondContact OD1-CG 3.4Å; N118-E162 PolarHBondContact OD1-OE1 3.05Å; N118-E162 VanDerWaalsContact OD1-OE1 3.09Å; E158-E162 PolarHBondContact O-N 3.48Å; E158-E162 VanDerWaalsContact O-N 3.08Å; V159-E162 PolarHBondContact O-N 3.41Å; L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 2.84Å; E162-I164 VanDerWaalsContact C-N 3.34Å; E162-I164 PolarHBondContact O-N 3.36Å; E162-N165 WeakPolarHBondContact O-CB 3.21Å; E162-N165 PolarHBondContact O-N 3.49Å; E162-N165 PolarHBondContact OE1-ND2 3.42Å; E162-H166 PolarHBondContact O-CD2 3.22Å; E162-H166 VanDerWaalsContact O-CD2 3.31Å; E162-H166 PolarHBondContact O-N 3.43Å; E162-H166 VanDerWaalsContact O-N 3.12Å; E162-H166 IonicContact OE1-CD2 2.69Å; E162-H166 PolarHBondContact OE1-CD2 3.02Å; E162-H166 IonicContact OE1-CE1 3.81Å; E162-H166 IonicContact OE1-NE2 3.84Å; E162-H166 PolarHBondContact OE1-NE2 2.9Å |
| 163 | I | 94.1 | Very high | 91 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.9 | -41.8 | 174.9 | -65.4 | 171.3 | 0 | 0 | 0 | 110.4 | V117 V133 A136 I137 L140 V159 L160 F167 L171 | V117-I163 HydrophobicContact CB-CG1 4.49Å; V117-I163 HydrophobicContact CG1-CG1 3.89Å; V117-I163 HydrophobicContact CG2-CD1 4.27Å; V117-I163 HydrophobicContact CG2-CG1 3.71Å; V133-I163 HydrophobicContact CG1-CG2 3.91Å; V133-I163 HydrophobicContact CG2-CG2 4.37Å; A136-I163 HydrophobicContact CB-CD1 4Å; I137-I163 HydrophobicContact CD1-CG2 4.15Å; L140-I163 HydrophobicContact CD1-CD1 3.56Å; V159-I163 HydrophobicContact CG1-CD1 3.91Å; V159-I163 HydrophobicContact CG1-CG1 4.35Å; V159-I163 WeakPolarHBondContact O-CG1 3.38Å; V159-I163 PolarHBondContact O-N 2.94Å; L160-I163 PolarHBondContact O-N 3.2Å; I163-F167 HydrophobicContact CG2-CD2 4.44Å; I163-F167 CarbonylContact O-C 3.58Å; I163-F167 WeakPolarHBondContact O-CA 3.14Å; I163-F167 WeakPolarHBondContact O-CB 3.23Å; I163-F167 PolarHBondContact O-N 3.38Å; I163-L171 HydrophobicContact CG2-CD1 4.08Å |
| 164 | I | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.4 | -43 | 176.5 | -64.6 | 159.2 | 0 | 0 | 0 | 110.3 | L160 A161 E162 H166 G168 L171 L178 A200 L204 I207 | L160-I164 WeakPolarHBondContact O-CD1 3.42Å; L160-I164 WeakPolarHBondContact O-CG1 3.36Å; L160-I164 PolarHBondContact O-N 3.18Å; A161-I164 PolarHBondContact O-N 2.96Å; E162-I164 VanDerWaalsContact C-N 3.34Å; E162-I164 PolarHBondContact O-N 3.36Å; I164-H166 PolarHBondContact O-N 2.66Å; I164-G168 VanDerWaalsContact O-CA 3.26Å; I164-G168 WeakPolarHBondContact O-CA 3.49Å; I164-G168 PolarHBondContact O-N 3.22Å; I164-L171 HydrophobicContact CG1-CD1 4.2Å; I164-L178 HydrophobicContact CD1-CD2 4.19Å; I164-L178 HydrophobicContact CG1-CD1 4.37Å; I164-L178 HydrophobicContact CG1-CD2 4.49Å; I164-A200 HydrophobicContact CD1-CB 4.18Å; I164-L204 HydrophobicContact CD1-CD1 4.31Å; I164-L204 HydrophobicContact CD1-CD2 4.19Å; I164-L204 HydrophobicContact CD1-CG 4.08Å; I164-L204 HydrophobicContact CG1-CD2 4.31Å; I164-L204 HydrophobicContact CG2-CD2 3.75Å; I164-L204 HydrophobicContact CG2-CG 3.92Å; I164-I207 HydrophobicContact CG2-CD1 4.37Å; I164-I207 WeakPolarHBondContact O-CD1 3.46Å |
| 165 | N | 89.4 | Confident | 90.8 | Very high | 53 Ų | 53 | 30.3 Ų | 30.3 | 28% | 0.283 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.3 | -48.4 | -179.8 | -175.2 | 39.4 | 0 | 0 | 0 | 112 | A161 E162 Y203 | A161-N165 WeakPolarHBondContact O-CB 3.49Å; A161-N165 PolarHBondContact O-N 3.12Å; E162-N165 WeakPolarHBondContact O-CB 3.21Å; E162-N165 PolarHBondContact O-N 3.49Å; E162-N165 PolarHBondContact OE1-ND2 3.42Å; N165-Y203 HydrophobicContact CB-CD1 4Å; N165-Y203 HydrophobicContact CB-CD2 3.92Å; N165-Y203 HydrophobicContact CB-CE1 3.98Å; N165-Y203 HydrophobicContact CB-CE2 3.89Å; N165-Y203 HydrophobicContact CB-CG 3.99Å; N165-Y203 WeakPolarHBondContact OD1-CD1 3.36Å; N165-Y203 WeakPolarHBondContact OD1-CE1 3.12Å |
| 166 | H | 86.7 | Confident | 90.7 | Very high | 73 Ų | 73 | 30.8 Ų | 30.8 | 34% | 0.338 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -86.1 | -36.4 | -178.4 | -65.9 | -57 | 0 | 0 | 0 | 114.1 | N118 P121 E162 I164 | N118-H166 PolarHBondContact OD1-CD2 3.12Å; N118-H166 PolarHBondContact OD1-NE2 3.25Å; P121-H166 HydrophobicContact CG-CB 4.22Å; E162-H166 PolarHBondContact O-CD2 3.22Å; E162-H166 VanDerWaalsContact O-CD2 3.31Å; E162-H166 PolarHBondContact O-N 3.43Å; E162-H166 VanDerWaalsContact O-N 3.12Å; E162-H166 IonicContact OE1-CD2 2.69Å; E162-H166 PolarHBondContact OE1-CD2 3.02Å; E162-H166 IonicContact OE1-CE1 3.81Å; E162-H166 IonicContact OE1-NE2 3.84Å; E162-H166 PolarHBondContact OE1-NE2 2.9Å; I164-H166 PolarHBondContact O-N 2.66Å |
| 167 | F | 88.5 | Confident | 90.6 | Very high | 12 Ų | 12 | 33.6 Ų | 33.6 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -125.5 | 11.1 | -165.4 | -53 | -61.2 | 0 | 0 | 0 | 114.2 | V117 L120 P121 I129 V133 I163 N169 L170 | V117-F167 HydrophobicContact CG1-CD2 4.42Å; V117-F167 HydrophobicContact CG1-CE2 3.98Å; V117-F167 WeakPolarHBondContact O-CE2 3.46Å; L120-F167 HydrophobicContact CB-CE1 4.44Å; L120-F167 HydrophobicContact CB-CE2 4.08Å; L120-F167 HydrophobicContact CB-CZ 3.5Å; L120-F167 VanDerWaalsContact CB-CZ 3.5Å; L120-F167 HydrophobicContact CD1-CE2 4.37Å; L120-F167 HydrophobicContact CD1-CZ 4.5Å; P121-F167 HydrophobicContact CG-CE1 4.11Å; P121-F167 HydrophobicContact CG-CZ 3.78Å; I129-F167 HydrophobicContact CG2-CD1 3.62Å; I129-F167 HydrophobicContact CG2-CE1 3.42Å; I129-F167 VanDerWaalsContact CG2-CE1 3.42Å; I129-F167 HydrophobicContact CG2-CG 4.35Å; I129-F167 HydrophobicContact CG2-CZ 3.99Å; V133-F167 HydrophobicContact CG2-CB 4.08Å; V133-F167 HydrophobicContact CG2-CD2 3.66Å; V133-F167 HydrophobicContact CG2-CE2 4.29Å; V133-F167 HydrophobicContact CG2-CG 3.88Å; I163-F167 HydrophobicContact CG2-CD2 4.44Å; I163-F167 CarbonylContact O-C 3.58Å; I163-F167 WeakPolarHBondContact O-CA 3.14Å; I163-F167 WeakPolarHBondContact O-CB 3.23Å; I163-F167 PolarHBondContact O-N 3.38Å; F167-N169 PolarHBondContact O-N 3.07Å; F167-L170 HydrophobicContact CB-CD1 4.3Å; F167-L170 HydrophobicContact CD1-CD1 4.18Å; F167-L170 WeakPolarHBondContact O-CB 3.42Å; F167-L170 PolarHBondContact O-N 2.9Å |
| 168 | G | 85.8 | Confident | 90.5 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -56 | -28.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | I164 L170 L171 H175 I207 | I164-G168 VanDerWaalsContact O-CA 3.26Å; I164-G168 WeakPolarHBondContact O-CA 3.49Å; I164-G168 PolarHBondContact O-N 3.22Å; G168-L170 VanDerWaalsContact C-N 3.25Å; G168-L170 PolarHBondContact O-N 3.19Å; G168-L171 WeakPolarHBondContact O-CB 3.36Å; G168-L171 PolarHBondContact O-N 3.33Å; G168-L171 VanDerWaalsContact O-N 3.11Å; G168-H175 PolarHBondContact O-NE2 2.84Å; G168-I207 VanDerWaalsContact C-CG2 3.48Å; G168-I207 WeakPolarHBondContact O-CG2 3.49Å |
| 169 | N | 81.2 | Confident | 90.4 | Very high | 69 Ų | 69 | 31.3 Ų | 31.3 | 37% | 0.369 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -65.2 | -25.5 | 174.6 | -70.7 | -43.2 | 0 | 0 | 0 | 113.6 | F167 L171 I207 | F167-N169 PolarHBondContact O-N 3.07Å; N169-L171 VanDerWaalsContact C-N 3.32Å; N169-I207 WeakPolarHBondContact OD1-CG2 3.44Å |
| 170 | L | 83 | Confident | 90.3 | Very high | 59 Ų | 59 | 32 Ų | 32 | 31% | 0.309 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -83.1 | -11.6 | 175.6 | -58.6 | 177.8 | 0 | 0 | 0 | 112.3 | M126 I129 Q130 F167 G168 | M126-L170 HydrophobicContact CE-CD2 3.58Å; I129-L170 HydrophobicContact CG2-CD1 3.98Å; Q130-L170 HydrophobicContact CG-CD1 4.42Å; F167-L170 HydrophobicContact CB-CD1 4.3Å; F167-L170 HydrophobicContact CD1-CD1 4.18Å; F167-L170 WeakPolarHBondContact O-CB 3.42Å; F167-L170 PolarHBondContact O-N 2.9Å; G168-L170 VanDerWaalsContact C-N 3.25Å; G168-L170 PolarHBondContact O-N 3.19Å |
| 171 | L | 88 | Confident | 90.2 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | trans | -95.9 | 20.6 | -173.5 | -60.7 | 177.6 | 0 | 0 | 0 | 113.5 | V133 I137 I163 I164 G168 N169 S173 Y174 H175 L178 | V133-L171 HydrophobicContact CG1-CD2 3.39Å; V133-L171 HydrophobicContact CG1-CG 4.38Å; I137-L171 HydrophobicContact CD1-CD1 3.98Å; I137-L171 HydrophobicContact CD1-CD2 3.93Å; I137-L171 HydrophobicContact CG1-CD2 4.21Å; I163-L171 HydrophobicContact CG2-CD1 4.08Å; I164-L171 HydrophobicContact CG1-CD1 4.2Å; G168-L171 WeakPolarHBondContact O-CB 3.36Å; G168-L171 PolarHBondContact O-N 3.33Å; G168-L171 VanDerWaalsContact O-N 3.11Å; N169-L171 VanDerWaalsContact C-N 3.32Å; L171-S173 PolarHBondContact O-N 3.11Å; L171-S173 VanDerWaalsContact O-N 3.14Å; L171-Y174 HydrophobicContact CD2-CD2 4.2Å; L171-Y174 CarbonylContact O-C 3.49Å; L171-Y174 WeakPolarHBondContact O-CA 3.32Å; L171-Y174 PolarHBondContact O-N 3.4Å; L171-H175 VanDerWaalsContact C-CD2 3.41Å; L171-H175 PolarHBondContact O-CD2 3.4Å; L171-H175 PolarHBondContact O-N 3.14Å; L171-H175 PolarHBondContact O-NE2 3.32Å; L171-L178 HydrophobicContact CB-CD1 4.08Å; L171-L178 HydrophobicContact CD1-CD1 3.8Å | ||
| 172 | T | 86.4 | Confident | 90.3 | Very high | 96 Ų | 96 | 32.1 Ų | 32.1 | 59% | 0.589 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -36.3 | -174.2 | 46 | 0 | 0 | 0 | 0 | 113.6 | Y174 | T172-Y174 VanDerWaalsContact C-N 3.27Å; T172-Y174 PolarHBondContact O-N 3.23Å |
| 173 | S | 88.3 | Confident | 90.3 | Very high | 89 Ų | 89 | 30.3 Ų | 30.3 | 62% | 0.622 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -23.2 | 174.7 | 55.1 | 0 | 0 | 0 | 0 | 114 | L171 | L171-S173 PolarHBondContact O-N 3.11Å; L171-S173 VanDerWaalsContact O-N 3.14Å |
| 174 | Y | 92.1 | Very high | 90.3 | Very high | 62 Ų | 62 | 30.9 Ų | 30.9 | 24% | 0.243 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -5.4 | -177 | -61.5 | -80.1 | 0 | 0 | 0 | 113.2 | I137 L171 T172 L176 D177 L178 | I137-Y174 HydrophobicContact CG1-CG 4.44Å; I137-Y174 HydrophobicContact CG2-CD1 4.08Å; I137-Y174 HydrophobicContact CG2-CD2 4.25Å; I137-Y174 HydrophobicContact CG2-CE1 3.75Å; I137-Y174 HydrophobicContact CG2-CE2 3.94Å; I137-Y174 HydrophobicContact CG2-CG 4.31Å; L171-Y174 HydrophobicContact CD2-CD2 4.2Å; L171-Y174 CarbonylContact O-C 3.49Å; L171-Y174 WeakPolarHBondContact O-CA 3.32Å; L171-Y174 PolarHBondContact O-N 3.4Å; T172-Y174 VanDerWaalsContact C-N 3.27Å; T172-Y174 PolarHBondContact O-N 3.23Å; Y174-L176 PolarHBondContact O-N 3.48Å; Y174-L176 VanDerWaalsContact O-N 3.14Å; Y174-D177 PolarHBondContact O-N 3.01Å; Y174-D177 VanDerWaalsContact O-N 3.08Å; Y174-L178 WeakPolarHBondContact O-CB 3.44Å; Y174-L178 WeakPolarHBondContact O-CG 3.48Å; Y174-L178 PolarHBondContact O-N 2.88Å |
| 175 | H | 92.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.1 | -38.4 | -175.5 | -76.4 | 177.9 | 0 | 0 | 0 | 113.2 | G168 L171 L179 I208 P209 Y212 | G168-H175 PolarHBondContact O-NE2 2.84Å; L171-H175 VanDerWaalsContact C-CD2 3.41Å; L171-H175 PolarHBondContact O-CD2 3.4Å; L171-H175 PolarHBondContact O-N 3.14Å; L171-H175 PolarHBondContact O-NE2 3.32Å; H175-L179 WeakPolarHBondContact O-CB 3.47Å; H175-L179 PolarHBondContact O-N 3.35Å; H175-I208 HydrophobicContact CB-CG2 4.18Å; H175-P209 WeakPolarHBondContact ND1-CD 3.27Å; H175-Y212 HydrophobicContact CB-CD2 4.48Å |
| 176 | L | 90.4 | Very high | 90.6 | Very high | 38 Ų | 38 | 28.4 Ų | 28.4 | 20% | 0.199 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.3 | -39.1 | -179.1 | -162.4 | 147.4 | 0 | 0 | 0 | 111.6 | Y174 L179 D180 Y212 L251 | Y174-L176 PolarHBondContact O-N 3.48Å; Y174-L176 VanDerWaalsContact O-N 3.14Å; L176-L179 PolarHBondContact O-N 2.95Å; L176-D180 WeakPolarHBondContact O-CB 3.46Å; L176-D180 PolarHBondContact O-N 3.3Å; L176-Y212 HydrophobicContact CD1-CE1 3.84Å; L176-L251 HydrophobicContact CD2-CD1 4.11Å; L176-L251 HydrophobicContact CG-CD1 3.89Å |
| 177 | D | 92 | Very high | 90.7 | Very high | 60 Ų | 60 | 26.3 Ų | 26.3 | 32% | 0.321 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -70.3 | -39.8 | 175.9 | -62.4 | -45.2 | 0 | 0 | 0 | 112.4 | L141 Y174 L179 D180 C181 R254 | L141-D177 HydrophobicContact CD1-CB 4.28Å; Y174-D177 PolarHBondContact O-N 3.01Å; Y174-D177 VanDerWaalsContact O-N 3.08Å; D177-L179 VanDerWaalsContact C-N 3.33Å; D177-D180 PolarHBondContact O-N 2.68Å; D177-C181 WeakPolarHBondContact O-CB 3.21Å; D177-C181 PolarHBondContact O-N 3.43Å; D177-R254 IonicContact OD1-CZ 3.74Å; D177-R254 VanDerWaalsContact OD1-CZ 3.31Å; D177-R254 IonicContact OD1-NH1 3.8Å; D177-R254 PolarHBondContact OD1-NH1 3.5Å; D177-R254 IonicContact OD1-NH2 2.72Å; D177-R254 PolarHBondContact OD1-NH2 3.39Å |
| 178 | L | 94.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 174 | -70.3 | 162.6 | 0 | 0 | 0 | 110.6 | I137 L141 L160 I164 L171 Y174 C181 M182 L204 | I137-L178 HydrophobicContact CD1-CD2 4.13Å; L141-L178 HydrophobicContact CD1-CD2 4.4Å; L141-L178 HydrophobicContact CD2-CD2 3.76Å; L141-L178 HydrophobicContact CD2-CG 4.39Å; L141-L178 HydrophobicContact CG-CD2 4.23Å; L160-L178 HydrophobicContact CD2-CD2 4.23Å; I164-L178 HydrophobicContact CD1-CD2 4.19Å; I164-L178 HydrophobicContact CG1-CD1 4.37Å; I164-L178 HydrophobicContact CG1-CD2 4.49Å; L171-L178 HydrophobicContact CB-CD1 4.08Å; L171-L178 HydrophobicContact CD1-CD1 3.8Å; Y174-L178 WeakPolarHBondContact O-CB 3.44Å; Y174-L178 WeakPolarHBondContact O-CG 3.48Å; Y174-L178 PolarHBondContact O-N 2.88Å; L178-C181 PolarHBondContact O-N 2.88Å; L178-M182 WeakPolarHBondContact O-CB 3.31Å; L178-M182 WeakPolarHBondContact O-CG 3.39Å; L178-M182 PolarHBondContact O-N 3.05Å; L178-L204 HydrophobicContact CB-CD1 4.15Å; L178-L204 HydrophobicContact CB-CD2 4.3Å |
| 179 | L | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 177.6 | -170.7 | 64.5 | 0 | 0 | 0 | 111.4 | H175 L176 D177 M182 I183 L201 I208 L216 L251 | H175-L179 WeakPolarHBondContact O-CB 3.47Å; H175-L179 PolarHBondContact O-N 3.35Å; L176-L179 PolarHBondContact O-N 2.95Å; D177-L179 VanDerWaalsContact C-N 3.33Å; L179-M182 PolarHBondContact O-N 3.47Å; L179-I183 HydrophobicContact CD1-CD1 3.85Å; L179-I183 HydrophobicContact CD1-CG1 4.17Å; L179-I183 HydrophobicContact CD2-CD1 4.44Å; L179-I183 HydrophobicContact CG-CD1 3.72Å; L179-I183 HydrophobicContact CG-CG1 4.36Å; L179-I183 WeakPolarHBondContact O-CB 3.32Å; L179-I183 WeakPolarHBondContact O-CG1 3.5Å; L179-I183 PolarHBondContact O-N 3.38Å; L179-L201 HydrophobicContact CD1-CD2 3.66Å; L179-I208 HydrophobicContact CD1-CD1 4.33Å; L179-L216 HydrophobicContact CD1-CB 4.28Å; L179-L216 HydrophobicContact CD1-CD1 4.27Å; L179-L216 HydrophobicContact CD1-CD2 4.22Å; L179-L216 HydrophobicContact CD1-CG 4.49Å; L179-L251 HydrophobicContact CB-CD1 4.37Å; L179-L251 HydrophobicContact CD2-CD1 3.93Å; L179-L251 HydrophobicContact CD2-CD2 3.78Å; L179-L251 HydrophobicContact CG-CD1 4.27Å; L179-L251 HydrophobicContact CG-CD2 4.11Å |
| 180 | D | 93.3 | Very high | 91.3 | Very high | 14 Ų | 14 | 31.1 Ų | 31.1 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.9 | -46.8 | 175.3 | 179.7 | 49.2 | 0 | 0 | 0 | 112.4 | L176 D177 T184 R254 L257 | L176-D180 WeakPolarHBondContact O-CB 3.46Å; L176-D180 PolarHBondContact O-N 3.3Å; D177-D180 PolarHBondContact O-N 2.68Å; D180-T184 VanDerWaalsContact O-CB 3.28Å; D180-T184 WeakPolarHBondContact O-CB 3.32Å; D180-T184 PolarHBondContact O-N 2.78Å; D180-T184 PolarHBondContact O-OG1 2.98Å; D180-R254 VanDerWaalsContact CB-NH1 3.3Å; D180-R254 VanDerWaalsContact CG-NH1 3.34Å; D180-R254 VanDerWaalsContact OD1-CD 3.31Å; D180-R254 WeakPolarHBondContact OD1-CD 3.26Å; D180-R254 WeakPolarHBondContact OD2-CD 3.22Å; D180-R254 IonicContact OD2-CZ 2.95Å; D180-R254 IonicContact OD2-NE 3.36Å; D180-R254 IonicContact OD2-NH1 2.86Å; D180-R254 PolarHBondContact OD2-NH1 2.98Å; D180-L257 WeakPolarHBondContact OD1-CD1 3.46Å; D180-L257 VanDerWaalsContact OD1-CG 3.29Å; D180-L257 WeakPolarHBondContact OD1-CG 3.34Å |
| 181 | C | 94.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.4 | -51.6 | 178.1 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | L141 V144 M145 D177 L178 T184 C185 | L141-C181 HydrophobicContact CD2-CB 3.66Å; V144-C181 VanDerWaalsContact CG1-SG 3.54Å; M145-C181 HydrophobicContact CG-CB 4.2Å; M145-C181 HydrophobicContact SD-CB 4.05Å; D177-C181 WeakPolarHBondContact O-CB 3.21Å; D177-C181 PolarHBondContact O-N 3.43Å; L178-C181 PolarHBondContact O-N 2.88Å; C181-T184 PolarHBondContact O-N 3.07Å; C181-C185 PolarHBondContact O-N 2.92Å; C181-C185 PolarHBondContact O-SG 3.02Å |
| 182 | M | 96 | Very high | 92 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.3 | -36.5 | -176.7 | -61.4 | -57.9 | 133.3 | 0 | 0 | 112.6 | L160 L178 L179 C185 L186 A197 A200 L201 L204 | L160-M182 HydrophobicContact CB-CE 4.2Å; L160-M182 HydrophobicContact CD1-CE 3.68Å; L178-M182 WeakPolarHBondContact O-CB 3.31Å; L178-M182 WeakPolarHBondContact O-CG 3.39Å; L178-M182 PolarHBondContact O-N 3.05Å; L179-M182 PolarHBondContact O-N 3.47Å; M182-C185 WeakPolarHBondContact O-CB 3.47Å; M182-C185 PolarHBondContact O-N 3.45Å; M182-L186 PolarHBondContact O-N 3.19Å; M182-A197 HydrophobicContact SD-CB 4.4Å; M182-A200 HydrophobicContact CG-CB 3.85Å; M182-A200 HydrophobicContact SD-CB 3.48Å; M182-A200 WeakPolarHBondContact SD-CB 3.39Å; M182-L201 HydrophobicContact CB-CD1 4.3Å; M182-L201 HydrophobicContact CB-CD2 3.74Å; M182-L201 HydrophobicContact CB-CG 3.7Å; M182-L204 HydrophobicContact CG-CD1 4.21Å |
| 183 | I | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.2 | -43.7 | 174.3 | -67 | 175 | 0 | 0 | 0 | 110.3 | L179 C185 L186 L201 L216 F219 L251 L257 Q260 | L179-I183 HydrophobicContact CD1-CD1 3.85Å; L179-I183 HydrophobicContact CD1-CG1 4.17Å; L179-I183 HydrophobicContact CD2-CD1 4.44Å; L179-I183 HydrophobicContact CG-CD1 3.72Å; L179-I183 HydrophobicContact CG-CG1 4.36Å; L179-I183 WeakPolarHBondContact O-CB 3.32Å; L179-I183 WeakPolarHBondContact O-CG1 3.5Å; L179-I183 PolarHBondContact O-N 3.38Å; I183-C185 PolarHBondContact O-N 2.97Å; I183-L186 VanDerWaalsContact O-CB 3.29Å; I183-L186 WeakPolarHBondContact O-CB 3.22Å; I183-L186 PolarHBondContact O-N 2.97Å; I183-L201 HydrophobicContact CG1-CD1 4.46Å; I183-L201 HydrophobicContact CG1-CD2 4.1Å; I183-L216 HydrophobicContact CD1-CD1 3.76Å; I183-L216 HydrophobicContact CG1-CD1 3.83Å; I183-F219 HydrophobicContact CG2-CD1 3.67Å; I183-F219 HydrophobicContact CG2-CD2 4.01Å; I183-F219 HydrophobicContact CG2-CE1 3.26Å; I183-F219 HydrophobicContact CG2-CE2 3.62Å; I183-F219 HydrophobicContact CG2-CG 4.02Å; I183-F219 HydrophobicContact CG2-CZ 3.19Å; I183-L251 HydrophobicContact CD1-CD2 3.72Å; I183-L257 HydrophobicContact CB-CD2 3.82Å; I183-L257 HydrophobicContact CG2-CD2 3.39Å; I183-Q260 PolarHBondContact O-OE1 3.25Å |
| 184 | T | 93.2 | Very high | 92.7 | Very high | 14 Ų | 14 | 26.3 Ų | 26.3 | 9% | 0.086 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.8 | -38 | 175.8 | -59.8 | 0 | 0 | 0 | 0 | 111 | M145 D180 C181 L186 G187 H256 Q260 | M145-T184 HydrophobicContact CE-CG2 3.85Å; M145-T184 HydrophobicContact SD-CG2 4.23Å; D180-T184 VanDerWaalsContact O-CB 3.28Å; D180-T184 WeakPolarHBondContact O-CB 3.32Å; D180-T184 PolarHBondContact O-N 2.78Å; D180-T184 PolarHBondContact O-OG1 2.98Å; C181-T184 PolarHBondContact O-N 3.07Å; T184-L186 PolarHBondContact O-N 3.21Å; T184-G187 PolarHBondContact O-N 3.44Å; T184-H256 HydrophobicContact CG2-CB 3.88Å; T184-Q260 PolarHBondContact O-NE2 3.27Å |
| 185 | C | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -24 | 176.2 | -68.6 | 0 | 0 | 0 | 0 | 114.2 | V144 C181 M182 I183 G187 C188 L193 R194 A197 | V144-C185 WeakPolarHBondContact CG1-SG 3.32Å; C181-C185 PolarHBondContact O-N 2.92Å; C181-C185 PolarHBondContact O-SG 3.02Å; M182-C185 WeakPolarHBondContact O-CB 3.47Å; M182-C185 PolarHBondContact O-N 3.45Å; I183-C185 PolarHBondContact O-N 2.97Å; C185-G187 PolarHBondContact O-N 3.18Å; C185-C188 WeakPolarHBondContact O-CB 3.2Å; C185-C188 PolarHBondContact O-N 2.85Å; C185-L193 HydrophobicContact CB-CG 4.35Å; C185-R194 WeakPolarHBondContact O-CG 3.13Å; C185-A197 HydrophobicContact CB-CB 3.49Å; C185-A197 VanDerWaalsContact CB-CB 3.49Å |
| 186 | L | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65 | -25.1 | 177.7 | -61.9 | -179.7 | 0 | 0 | 0 | 113.2 | M182 I183 T184 R194 A197 I198 L201 L220 T272 L273 C276 | M182-L186 PolarHBondContact O-N 3.19Å; I183-L186 VanDerWaalsContact O-CB 3.29Å; I183-L186 WeakPolarHBondContact O-CB 3.22Å; I183-L186 PolarHBondContact O-N 2.97Å; T184-L186 PolarHBondContact O-N 3.21Å; L186-R194 WeakPolarHBondContact O-CD 3.4Å; L186-A197 HydrophobicContact CD2-CB 4.28Å; L186-I198 HydrophobicContact CD2-CG1 3.87Å; L186-L201 HydrophobicContact CD1-CD1 3.67Å; L186-L201 HydrophobicContact CD2-CD1 3.95Å; L186-L201 HydrophobicContact CG-CD1 3.94Å; L186-L220 HydrophobicContact CD1-CD2 4.03Å; L186-T272 HydrophobicContact CD2-CG2 4Å; L186-L273 HydrophobicContact CD1-CD2 4.29Å; L186-C276 HydrophobicContact CD1-CB 4.49Å; L186-C276 HydrophobicContact CD2-CB 4.48Å |
| 187 | G | 89 | Confident | 93.2 | Very high | 29 Ų | 29 | 30.9 Ų | 30.9 | 30% | 0.299 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 0.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T184 C185 | T184-G187 PolarHBondContact O-N 3.44Å; C185-G187 PolarHBondContact O-N 3.18Å |
| 188 | C | 90.1 | Very high | 93.4 | Very high | 15 Ų | 15 | 28.6 Ų | 28.6 | 10% | 0.101 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -71.5 | 149 | -179.4 | -72.9 | 0 | 0 | 0 | 0 | 111.6 | R153 C185 Q190 L193 R194 | R153-C188 PolarHBondContact NH2-SG 3.35Å; R153-C188 VanDerWaalsContact NH2-SG 3.39Å; C185-C188 WeakPolarHBondContact O-CB 3.2Å; C185-C188 PolarHBondContact O-N 2.85Å; C188-Q190 VanDerWaalsContact C-N 3.29Å; C188-Q190 PolarHBondContact O-N 3.46Å; C188-L193 HydrophobicContact CB-CD2 4.07Å; C188-R194 WeakPolarHBondContact O-CD 3.36Å; C188-R194 PolarHBondContact O-NH1 3.41Å |
| 189 | P | 87.4 | Confident | 93.4 | Very high | 110 Ų | 110 | 31.7 Ų | 31.7 | 71% | 0.714 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -65.3 | -30.3 | -178.8 | 24.7 | -33.4 | 0 | 0 | 0 | 113.1 | T191 R194 | P189-T191 PolarHBondContact O-N 3.46Å; P189-R194 PolarHBondContact O-NH1 2.85Å |
| 190 | Q | 91.3 | Very high | 93.5 | Very high | 59 Ų | 59 | 31.7 Ų | 31.7 | 28% | 0.276 | 17% | 0.172 | S | C | . | . | trans | -76 | 114.1 | -175.6 | -177.1 | 62.7 | -35.3 | 0 | 0 | 113.3 | D150 V154 C188 T192 L193 R194 | D150-Q190 HydrophobicContact CB-CG 4.29Å; V154-Q190 HydrophobicContact CG2-CG 4.39Å; C188-Q190 VanDerWaalsContact C-N 3.29Å; C188-Q190 PolarHBondContact O-N 3.46Å; Q190-T192 PolarHBondContact O-N 3.33Å; Q190-L193 HydrophobicContact CB-CB 4.17Å; Q190-L193 HydrophobicContact CG-CB 4.17Å; Q190-L193 PolarHBondContact O-N 3.13Å; Q190-R194 PolarHBondContact O-N 3.41Å | ||
| 191 | T | 92 | Very high | 93.7 | Very high | 66 Ų | 66 | 31 Ų | 31 | 41% | 0.405 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60.8 | -40.1 | -175.4 | -57.2 | 0 | 0 | 0 | 0 | 113.3 | P189 L193 R194 K195 | P189-T191 PolarHBondContact O-N 3.46Å; T191-L193 VanDerWaalsContact C-N 3.32Å; T191-L193 PolarHBondContact O-N 2.97Å; T191-R194 PolarHBondContact O-N 3.42Å; T191-R194 PolarHBondContact OG1-NH2 3.28Å; T191-R194 VanDerWaalsContact OG1-NH2 3.11Å; T191-K195 PolarHBondContact O-N 3.15Å |
| 192 | T | 93.2 | Very high | 93.5 | Very high | 66 Ų | 66 | 31.1 Ų | 31.1 | 41% | 0.405 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.7 | -40.1 | -180 | -20.1 | 0 | 0 | 0 | 0 | 111.1 | V154 Q190 K195 R196 | V154-T192 HydrophobicContact CG1-CG2 4.26Å; Q190-T192 PolarHBondContact O-N 3.33Å; T192-K195 PolarHBondContact O-N 3.01Å; T192-R196 WeakPolarHBondContact O-CG 3.4Å; T192-R196 PolarHBondContact O-N 2.88Å; T192-R196 VanDerWaalsContact O-N 3.08Å |
| 193 | L | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 177.3 | -177.2 | 60.4 | 0 | 0 | 0 | 110.9 | R153 V154 C157 C185 C188 Q190 T191 K195 R196 A197 | R153-L193 HydrophobicContact CB-CD1 4.35Å; R153-L193 HydrophobicContact CB-CD2 4.28Å; V154-L193 HydrophobicContact CG2-CB 3.88Å; V154-L193 HydrophobicContact CG2-CD1 4.39Å; C157-L193 HydrophobicContact CB-CD1 3.71Å; C185-L193 HydrophobicContact CB-CG 4.35Å; C188-L193 HydrophobicContact CB-CD2 4.07Å; Q190-L193 HydrophobicContact CB-CB 4.17Å; Q190-L193 HydrophobicContact CG-CB 4.17Å; Q190-L193 PolarHBondContact O-N 3.13Å; T191-L193 VanDerWaalsContact C-N 3.32Å; T191-L193 PolarHBondContact O-N 2.97Å; L193-K195 VanDerWaalsContact C-N 3.35Å; L193-K195 PolarHBondContact O-N 3.05Å; L193-R196 PolarHBondContact O-N 2.88Å; L193-A197 WeakPolarHBondContact O-CB 3.32Å; L193-A197 PolarHBondContact O-N 3.46Å |
| 194 | R | 94.9 | Very high | 93.2 | Very high | 13 Ų | 13 | 33 Ų | 33 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.6 | -46.4 | 174.2 | -66.6 | -162.1 | -59.9 | -93.6 | 2.4 | 111.9 | C185 L186 C188 P189 Q190 T191 R196 A197 I198 T272 | C185-R194 WeakPolarHBondContact O-CG 3.13Å; L186-R194 WeakPolarHBondContact O-CD 3.4Å; C188-R194 WeakPolarHBondContact O-CD 3.36Å; C188-R194 PolarHBondContact O-NH1 3.41Å; P189-R194 PolarHBondContact O-NH1 2.85Å; Q190-R194 PolarHBondContact O-N 3.41Å; T191-R194 PolarHBondContact O-N 3.42Å; T191-R194 PolarHBondContact OG1-NH2 3.28Å; T191-R194 VanDerWaalsContact OG1-NH2 3.11Å; R194-R196 PolarHBondContact O-N 3.23Å; R194-A197 PolarHBondContact O-N 3.1Å; R194-I198 WeakPolarHBondContact O-CG1 3.46Å; R194-I198 PolarHBondContact O-N 2.87Å; R194-T272 HydrophobicContact CB-CG2 3.76Å; R194-T272 WeakPolarHBondContact CD-OG1 3.43Å; R194-T272 HydrophobicContact CG-CG2 4.23Å; R194-T272 PolarHBondContact NE-OG1 2.78Å |
| 195 | K | 94.5 | Very high | 93 | Very high | 123 Ų | 123 | 32.4 Ų | 32.4 | 54% | 0.535 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61 | -41.3 | 177.5 | -73.4 | -180 | 177.5 | 179.7 | 0 | 112.7 | T191 T192 L193 I198 Q199 | T191-K195 PolarHBondContact O-N 3.15Å; T192-K195 PolarHBondContact O-N 3.01Å; L193-K195 VanDerWaalsContact C-N 3.35Å; L193-K195 PolarHBondContact O-N 3.05Å; K195-I198 PolarHBondContact O-N 3.34Å; K195-Q199 PolarHBondContact O-N 3.47Å |
| 196 | R | 94.6 | Very high | 92.6 | Very high | 76 Ų | 76 | 33.1 Ų | 33.1 | 29% | 0.287 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -68.3 | -39.2 | 175.7 | -63.1 | -48.9 | -177.5 | 174.5 | 4.2 | 112.4 | V154 C157 E158 T192 L193 R194 I198 Q199 A200 | V154-R196 HydrophobicContact CG1-CG 4.2Å; C157-R196 HydrophobicContact CB-CB 4.33Å; E158-R196 IonicContact OE1-CZ 2.63Å; E158-R196 IonicContact OE1-NH1 3.39Å; E158-R196 IonicContact OE1-NH2 3.26Å; E158-R196 IonicContact OE2-CZ 3.28Å; E158-R196 IonicContact OE2-NH2 3.65Å; T192-R196 WeakPolarHBondContact O-CG 3.4Å; T192-R196 PolarHBondContact O-N 2.88Å; T192-R196 VanDerWaalsContact O-N 3.08Å; L193-R196 PolarHBondContact O-N 2.88Å; R194-R196 PolarHBondContact O-N 3.23Å; R196-I198 PolarHBondContact O-N 3.46Å; R196-Q199 WeakPolarHBondContact O-CB 3.28Å; R196-Q199 PolarHBondContact O-N 3.48Å; R196-A200 PolarHBondContact O-N 2.87Å |
| 197 | A | 96.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M182 C185 L186 L193 R194 Q199 A200 L201 | M182-A197 HydrophobicContact SD-CB 4.4Å; C185-A197 HydrophobicContact CB-CB 3.49Å; C185-A197 VanDerWaalsContact CB-CB 3.49Å; L186-A197 HydrophobicContact CD2-CB 4.28Å; L193-A197 WeakPolarHBondContact O-CB 3.32Å; L193-A197 PolarHBondContact O-N 3.46Å; R194-A197 PolarHBondContact O-N 3.1Å; A197-Q199 VanDerWaalsContact C-N 3.33Å; A197-Q199 PolarHBondContact O-N 3.24Å; A197-A200 PolarHBondContact O-N 3.28Å; A197-L201 WeakPolarHBondContact O-CB 3.46Å; A197-L201 WeakPolarHBondContact O-CG 3.3Å; A197-L201 PolarHBondContact O-N 2.93Å |
| 198 | I | 96.8 | Very high | 92.2 | Very high | 13 Ų | 13 | 33 Ų | 33 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 172.2 | -70.4 | 162.8 | 0 | 0 | 0 | 110.8 | L186 R194 K195 R196 A200 L201 G202 T272 Q275 C276 V279 | L186-I198 HydrophobicContact CD2-CG1 3.87Å; R194-I198 WeakPolarHBondContact O-CG1 3.46Å; R194-I198 PolarHBondContact O-N 2.87Å; K195-I198 PolarHBondContact O-N 3.34Å; R196-I198 PolarHBondContact O-N 3.46Å; I198-A200 PolarHBondContact O-N 3.29Å; I198-L201 PolarHBondContact O-N 3.39Å; I198-G202 PolarHBondContact O-N 3.39Å; I198-T272 HydrophobicContact CD1-CG2 3.69Å; I198-T272 HydrophobicContact CG1-CG2 4.22Å; I198-Q275 HydrophobicContact CD1-CB 3.84Å; I198-C276 HydrophobicContact CG1-CB 3.91Å; I198-V279 HydrophobicContact CG2-CB 4.47Å; I198-V279 HydrophobicContact CG2-CG2 3.88Å |
| 199 | Q | 94.2 | Very high | 92 | Very high | 65 Ų | 65 | 35 Ų | 35 | 30% | 0.304 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.5 | -46 | 178.5 | -173.3 | -177.1 | -4.2 | 0 | 0 | 111.3 | K195 R196 A197 G202 Y203 | K195-Q199 PolarHBondContact O-N 3.47Å; R196-Q199 WeakPolarHBondContact O-CB 3.28Å; R196-Q199 PolarHBondContact O-N 3.48Å; A197-Q199 VanDerWaalsContact C-N 3.33Å; A197-Q199 PolarHBondContact O-N 3.24Å; Q199-G202 WeakPolarHBondContact O-CA 3.25Å; Q199-G202 PolarHBondContact O-N 2.98Å; Q199-G202 VanDerWaalsContact O-N 3.16Å; Q199-Y203 HydrophobicContact CG-CD2 4.42Å; Q199-Y203 HydrophobicContact CG-CE2 3.66Å; Q199-Y203 PolarHBondContact NE2-OH 3.23Å; Q199-Y203 WeakPolarHBondContact O-CD2 3.36Å; Q199-Y203 PolarHBondContact O-N 3.38Å |
| 200 | A | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A161 I164 M182 R196 A197 I198 G202 Y203 L204 | A161-A200 HydrophobicContact CB-CB 3.89Å; I164-A200 HydrophobicContact CD1-CB 4.18Å; M182-A200 HydrophobicContact CG-CB 3.85Å; M182-A200 HydrophobicContact SD-CB 3.48Å; M182-A200 WeakPolarHBondContact SD-CB 3.39Å; R196-A200 PolarHBondContact O-N 2.87Å; A197-A200 PolarHBondContact O-N 3.28Å; I198-A200 PolarHBondContact O-N 3.29Å; A200-G202 PolarHBondContact O-N 2.95Å; A200-Y203 PolarHBondContact O-N 3.19Å; A200-Y203 VanDerWaalsContact O-N 3.15Å; A200-L204 WeakPolarHBondContact O-CG 3.43Å; A200-L204 PolarHBondContact O-N 3.3Å |
| 201 | L | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.8 | -35.6 | 172.7 | -75.1 | 170.3 | 0 | 0 | 0 | 111.6 | L179 M182 I183 L186 A197 I198 L204 S205 L216 C276 | L179-L201 HydrophobicContact CD1-CD2 3.66Å; M182-L201 HydrophobicContact CB-CD1 4.3Å; M182-L201 HydrophobicContact CB-CD2 3.74Å; M182-L201 HydrophobicContact CB-CG 3.7Å; I183-L201 HydrophobicContact CG1-CD1 4.46Å; I183-L201 HydrophobicContact CG1-CD2 4.1Å; L186-L201 HydrophobicContact CD1-CD1 3.67Å; L186-L201 HydrophobicContact CD2-CD1 3.95Å; L186-L201 HydrophobicContact CG-CD1 3.94Å; A197-L201 WeakPolarHBondContact O-CB 3.46Å; A197-L201 WeakPolarHBondContact O-CG 3.3Å; A197-L201 PolarHBondContact O-N 2.93Å; I198-L201 PolarHBondContact O-N 3.39Å; L201-L204 HydrophobicContact CD2-CD1 4.28Å; L201-L204 PolarHBondContact O-N 3.04Å; L201-S205 WeakPolarHBondContact O-CB 3.47Å; L201-S205 PolarHBondContact O-N 3.48Å; L201-L216 HydrophobicContact CD1-CD1 4.42Å; L201-L216 HydrophobicContact CD2-CD1 4.02Å; L201-L216 HydrophobicContact CD2-CD2 4.15Å; L201-C276 VanDerWaalsContact CD1-SG 3.59Å |
| 202 | G | 92.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.9 | -52.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I198 Q199 A200 S205 | I198-G202 PolarHBondContact O-N 3.39Å; Q199-G202 WeakPolarHBondContact O-CA 3.25Å; Q199-G202 PolarHBondContact O-N 2.98Å; Q199-G202 VanDerWaalsContact O-N 3.16Å; A200-G202 PolarHBondContact O-N 2.95Å; G202-S205 WeakPolarHBondContact O-CB 3.48Å; G202-S205 PolarHBondContact O-N 3.03Å; G202-S205 PolarHBondContact O-OG 3.48Å |
| 203 | Y | 91 | Very high | 91.6 | Very high | 41 Ų | 41 | 32.2 Ų | 32.2 | 16% | 0.161 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 176.1 | -59 | -52.8 | 0 | 0 | 0 | 112.8 | A161 N165 Q199 A200 S205 W206 | A161-Y203 HydrophobicContact CB-CD2 4.32Å; A161-Y203 HydrophobicContact CB-CE2 4.26Å; A161-Y203 VanDerWaalsContact O-CD2 3.32Å; A161-Y203 WeakPolarHBondContact O-CD2 3.45Å; N165-Y203 HydrophobicContact CB-CD1 4Å; N165-Y203 HydrophobicContact CB-CD2 3.92Å; N165-Y203 HydrophobicContact CB-CE1 3.98Å; N165-Y203 HydrophobicContact CB-CE2 3.89Å; N165-Y203 HydrophobicContact CB-CG 3.99Å; N165-Y203 WeakPolarHBondContact OD1-CD1 3.36Å; N165-Y203 WeakPolarHBondContact OD1-CE1 3.12Å; Q199-Y203 HydrophobicContact CG-CD2 4.42Å; Q199-Y203 HydrophobicContact CG-CE2 3.66Å; Q199-Y203 PolarHBondContact NE2-OH 3.23Å; Q199-Y203 WeakPolarHBondContact O-CD2 3.36Å; Q199-Y203 PolarHBondContact O-N 3.38Å; A200-Y203 PolarHBondContact O-N 3.19Å; A200-Y203 VanDerWaalsContact O-N 3.15Å; Y203-S205 VanDerWaalsContact C-N 3.25Å; Y203-S205 PolarHBondContact O-N 3.4Å; Y203-W206 PolarHBondContact O-N 3.28Å |
| 204 | L | 92 | Very high | 91.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.3 | -36.7 | 177 | -74.2 | 172.2 | 0 | 0 | 0 | 112.1 | I164 L178 M182 A200 L201 W206 I207 I208 | I164-L204 HydrophobicContact CD1-CD1 4.31Å; I164-L204 HydrophobicContact CD1-CD2 4.19Å; I164-L204 HydrophobicContact CD1-CG 4.08Å; I164-L204 HydrophobicContact CG1-CD2 4.31Å; I164-L204 HydrophobicContact CG2-CD2 3.75Å; I164-L204 HydrophobicContact CG2-CG 3.92Å; L178-L204 HydrophobicContact CB-CD1 4.15Å; L178-L204 HydrophobicContact CB-CD2 4.3Å; M182-L204 HydrophobicContact CG-CD1 4.21Å; A200-L204 WeakPolarHBondContact O-CG 3.43Å; A200-L204 PolarHBondContact O-N 3.3Å; L201-L204 HydrophobicContact CD2-CD1 4.28Å; L201-L204 PolarHBondContact O-N 3.04Å; L204-W206 PolarHBondContact O-N 3.5Å; L204-W206 VanDerWaalsContact O-N 3.07Å; L204-I207 PolarHBondContact O-N 2.97Å; L204-I208 HydrophobicContact CB-CG2 4.01Å; L204-I208 HydrophobicContact CD2-CG2 3.86Å; L204-I208 HydrophobicContact CG-CG2 4.49Å; L204-I208 VanDerWaalsContact O-CG1 3.3Å; L204-I208 WeakPolarHBondContact O-CG1 3.34Å; L204-I208 WeakPolarHBondContact O-CG2 3.35Å; L204-I208 PolarHBondContact O-N 3.3Å |
| 205 | S | 90.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.5 | -27.1 | -178.5 | 78.2 | 0 | 0 | 0 | 0 | 113.7 | L201 G202 Y203 R286 | L201-S205 WeakPolarHBondContact O-CB 3.47Å; L201-S205 PolarHBondContact O-N 3.48Å; G202-S205 WeakPolarHBondContact O-CB 3.48Å; G202-S205 PolarHBondContact O-N 3.03Å; G202-S205 PolarHBondContact O-OG 3.48Å; Y203-S205 VanDerWaalsContact C-N 3.25Å; Y203-S205 PolarHBondContact O-N 3.4Å; S205-R286 PolarHBondContact O-NH1 3.41Å |
| 206 | W | 84.6 | Confident | 91.1 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 6% | 0.061 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -81.8 | -27.6 | 177.1 | -68.2 | 89.8 | 0 | 0 | 0 | 113.4 | Y203 L204 Q283 D1464 K1467 N1468 | Y203-W206 PolarHBondContact O-N 3.28Å; L204-W206 PolarHBondContact O-N 3.5Å; L204-W206 VanDerWaalsContact O-N 3.07Å; W206-Q283 HydrophobicContact CD2-CG 3.92Å; W206-Q283 HydrophobicContact CE3-CG 4.29Å; W206-Q283 HydrophobicContact CG-CG 4.23Å; W206-Q283 HydrophobicContact CZ2-CG 4.48Å; W206-D1464 HydrophobicContact CH2-CB 3.66Å; W206-D1464 HydrophobicContact CZ2-CB 3.86Å; W206-K1467 HydrophobicContact CD2-CB 3.63Å; W206-K1467 HydrophobicContact CE3-CB 3.65Å; W206-K1467 HydrophobicContact CG-CB 4.04Å; W206-K1467 HydrophobicContact CH2-CB 4.3Å; W206-K1467 HydrophobicContact CZ2-CB 4.33Å; W206-K1467 HydrophobicContact CZ2-CD 4.42Å; W206-K1467 HydrophobicContact CZ3-CB 3.97Å; W206-N1468 HydrophobicContact CZ3-CB 4.27Å |
| 207 | I | 85.2 | Confident | 91 | Very high | 27 Ų | 27 | 23.1 Ų | 23.1 | 14% | 0.138 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -109.6 | -38.5 | -161.8 | -58.5 | 173 | 0 | 0 | 0 | 112.2 | I164 G168 N169 L204 | I164-I207 HydrophobicContact CG2-CD1 4.37Å; I164-I207 WeakPolarHBondContact O-CD1 3.46Å; G168-I207 VanDerWaalsContact C-CG2 3.48Å; G168-I207 WeakPolarHBondContact O-CG2 3.49Å; N169-I207 WeakPolarHBondContact OD1-CG2 3.44Å; L204-I207 PolarHBondContact O-N 2.97Å |
| 208 | I | 89.4 | Confident | 90.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -64.5 | 150.3 | -173.8 | 65.2 | -172.9 | 0 | 0 | 0 | 112 | H175 L179 L204 F213 R286 | H175-I208 HydrophobicContact CB-CG2 4.18Å; L179-I208 HydrophobicContact CD1-CD1 4.33Å; L204-I208 HydrophobicContact CB-CG2 4.01Å; L204-I208 HydrophobicContact CD2-CG2 3.86Å; L204-I208 HydrophobicContact CG-CG2 4.49Å; L204-I208 VanDerWaalsContact O-CG1 3.3Å; L204-I208 WeakPolarHBondContact O-CG1 3.34Å; L204-I208 WeakPolarHBondContact O-CG2 3.35Å; L204-I208 PolarHBondContact O-N 3.3Å; I208-F213 HydrophobicContact CD1-CB 4.12Å; I208-F213 HydrophobicContact CG1-CB 4.07Å; I208-R286 PolarHBondContact O-NH1 3.46Å; I208-R286 PolarHBondContact O-NH2 3.33Å |
| 209 | P | 86.3 | Confident | 90.6 | Very high | 56 Ų | 56 | 23.5 Ų | 23.5 | 36% | 0.364 | 12% | 0.115 | S | C | . | . | trans | -53.8 | 154.7 | 171.9 | -28.7 | 32.9 | 0 | 0 | 0 | 114.6 | H175 K211 Y212 F213 | H175-P209 WeakPolarHBondContact ND1-CD 3.27Å; P209-K211 VanDerWaalsContact C-N 3.27Å; P209-K211 PolarHBondContact O-N 3.4Å; P209-Y212 HydrophobicContact CB-CD2 4.19Å; P209-Y212 HydrophobicContact CG-CD2 3.98Å; P209-Y212 HydrophobicContact CG-CE2 4.07Å; P209-Y212 PolarHBondContact O-N 3Å; P209-Y212 VanDerWaalsContact O-N 3.08Å; P209-F213 PolarHBondContact O-N 3.42Å | ||
| 210 | Q | 86.3 | Confident | 90.5 | Very high | 63 Ų | 63 | 20.4 Ų | 20.4 | 29% | 0.294 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -56.3 | -39.8 | -175.3 | -169.8 | 51.7 | 41.5 | 0 | 0 | 113.9 | Y212 F213 S214 R286 | Q210-Y212 PolarHBondContact O-N 3.27Å; Q210-F213 PolarHBondContact O-N 3.02Å; Q210-S214 WeakPolarHBondContact O-CB 3.37Å; Q210-S214 PolarHBondContact O-N 3.5Å; Q210-R286 PolarHBondContact NE2-O 2.91Å; Q210-R286 VanDerWaalsContact OE1-CB 3.26Å; Q210-R286 VanDerWaalsContact OE1-NE 3.13Å; Q210-R286 PolarHBondContact OE1-O 2.95Å |
| 211 | K | 87.1 | Confident | 90.3 | Very high | 120 Ų | 120 | 21.4 Ų | 21.4 | 52% | 0.522 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -56.5 | -49.5 | 176.8 | -176 | -178.6 | 177.9 | -177 | 0 | 111.4 | P209 S214 S215 | P209-K211 VanDerWaalsContact C-N 3.27Å; P209-K211 PolarHBondContact O-N 3.4Å; K211-S214 PolarHBondContact O-N 3.09Å; K211-S215 PolarHBondContact O-N 3.19Å; K211-S215 PolarHBondContact O-OG 2.93Å |
| 212 | Y | 90.1 | Very high | 90 | Very high | 60 Ų | 60 | 21.9 Ų | 21.9 | 24% | 0.235 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -72.2 | -35.9 | -177.9 | -56.7 | -29 | 0 | 0 | 0 | 112.4 | H175 L176 P209 Q210 S214 S215 L216 | H175-Y212 HydrophobicContact CB-CD2 4.48Å; L176-Y212 HydrophobicContact CD1-CE1 3.84Å; P209-Y212 HydrophobicContact CB-CD2 4.19Å; P209-Y212 HydrophobicContact CG-CD2 3.98Å; P209-Y212 HydrophobicContact CG-CE2 4.07Å; P209-Y212 PolarHBondContact O-N 3Å; P209-Y212 VanDerWaalsContact O-N 3.08Å; Q210-Y212 PolarHBondContact O-N 3.27Å; Y212-S214 VanDerWaalsContact C-N 3.35Å; Y212-S215 PolarHBondContact O-N 3.47Å; Y212-L216 PolarHBondContact O-N 2.93Å |
| 213 | F | 91.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 171.5 | -178.7 | -98.1 | 0 | 0 | 0 | 111.4 | I208 P209 Q210 S215 L216 V217 V280 Q283 R286 S287 | I208-F213 HydrophobicContact CD1-CB 4.12Å; I208-F213 HydrophobicContact CG1-CB 4.07Å; P209-F213 PolarHBondContact O-N 3.42Å; Q210-F213 PolarHBondContact O-N 3.02Å; F213-S215 VanDerWaalsContact C-N 3.3Å; F213-S215 PolarHBondContact O-N 2.93Å; F213-L216 WeakPolarHBondContact O-CB 3.45Å; F213-L216 PolarHBondContact O-N 3.03Å; F213-L216 VanDerWaalsContact O-N 3.15Å; F213-V217 HydrophobicContact CD1-CG2 4.13Å; F213-V217 HydrophobicContact CE1-CG2 3.67Å; F213-V217 HydrophobicContact CE2-CG2 4.35Å; F213-V217 HydrophobicContact CZ-CG2 3.79Å; F213-V217 WeakPolarHBondContact O-CG2 3.23Å; F213-V217 PolarHBondContact O-N 2.91Å; F213-V280 HydrophobicContact CE2-CG1 3.64Å; F213-V280 HydrophobicContact CZ-CG1 3.95Å; F213-Q283 WeakPolarHBondContact CE1-O 3.44Å; F213-Q283 HydrophobicContact CE2-CB 3.83Å; F213-Q283 HydrophobicContact CZ-CB 3.81Å; F213-Q283 VanDerWaalsContact CZ-O 3.29Å; F213-Q283 WeakPolarHBondContact CZ-O 3.35Å; F213-R286 HydrophobicContact CD1-CB 3.81Å; F213-R286 HydrophobicContact CE1-CB 3.79Å; F213-S287 WeakPolarHBondContact CE1-OG 3.43Å |
| 214 | S | 90.2 | Very high | 89.8 | Confident | 18 Ų | 18 | 20.1 Ų | 20.1 | 13% | 0.126 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.6 | -40.3 | 174.6 | -167.6 | 0 | 0 | 0 | 0 | 111.6 | Q210 K211 Y212 V217 S218 H289 | Q210-S214 WeakPolarHBondContact O-CB 3.37Å; Q210-S214 PolarHBondContact O-N 3.5Å; K211-S214 PolarHBondContact O-N 3.09Å; Y212-S214 VanDerWaalsContact C-N 3.35Å; S214-V217 PolarHBondContact O-N 3.25Å; S214-S218 WeakPolarHBondContact O-CB 3.29Å; S214-S218 PolarHBondContact O-N 3.43Å; S214-S218 PolarHBondContact O-OG 2.76Å; S214-H289 PolarHBondContact OG-NE2 3.15Å |
| 215 | S | 90.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -41 | 174.2 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | K211 Y212 F213 S218 F219 N249 F252 | K211-S215 PolarHBondContact O-N 3.19Å; K211-S215 PolarHBondContact O-OG 2.93Å; Y212-S215 PolarHBondContact O-N 3.47Å; F213-S215 VanDerWaalsContact C-N 3.3Å; F213-S215 PolarHBondContact O-N 2.93Å; S215-S218 PolarHBondContact O-N 3.38Å; S215-F219 WeakPolarHBondContact O-CB 3.46Å; S215-F219 PolarHBondContact O-N 2.94Å; S215-N249 WeakPolarHBondContact CA-OD1 3.27Å; S215-N249 WeakPolarHBondContact CB-OD1 3.39Å; S215-N249 PolarHBondContact OG-OD1 3.1Å; S215-F252 VanDerWaalsContact O-CZ 3.23Å; S215-F252 WeakPolarHBondContact O-CZ 3.47Å |
| 216 | L | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.5 | -47.4 | 174.5 | 175.2 | 60.4 | 0 | 0 | 0 | 111.7 | L179 I183 L201 Y212 F213 S218 F219 L220 V280 | L179-L216 HydrophobicContact CD1-CB 4.28Å; L179-L216 HydrophobicContact CD1-CD1 4.27Å; L179-L216 HydrophobicContact CD1-CD2 4.22Å; L179-L216 HydrophobicContact CD1-CG 4.49Å; I183-L216 HydrophobicContact CD1-CD1 3.76Å; I183-L216 HydrophobicContact CG1-CD1 3.83Å; L201-L216 HydrophobicContact CD1-CD1 4.42Å; L201-L216 HydrophobicContact CD2-CD1 4.02Å; L201-L216 HydrophobicContact CD2-CD2 4.15Å; Y212-L216 PolarHBondContact O-N 2.93Å; F213-L216 WeakPolarHBondContact O-CB 3.45Å; F213-L216 PolarHBondContact O-N 3.03Å; F213-L216 VanDerWaalsContact O-N 3.15Å; L216-S218 PolarHBondContact O-N 3.33Å; L216-F219 WeakPolarHBondContact O-CB 3.5Å; L216-F219 PolarHBondContact O-N 3.4Å; L216-L220 HydrophobicContact CD1-CD1 4.32Å; L216-L220 HydrophobicContact CD1-CG 4.31Å; L216-L220 HydrophobicContact CG-CD1 4.43Å; L216-L220 WeakPolarHBondContact O-CG 3.47Å; L216-L220 PolarHBondContact O-N 3.42Å; L216-V280 HydrophobicContact CD2-CG1 4.15Å; L216-V280 HydrophobicContact CD2-CG2 3.82Å; L216-V280 HydrophobicContact CG-CG1 4.45Å; L216-V280 HydrophobicContact CG-CG2 4.47Å |
| 217 | V | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.7 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | F213 S214 F219 L220 L221 F277 V280 L284 C290 V294 | F213-V217 HydrophobicContact CD1-CG2 4.13Å; F213-V217 HydrophobicContact CE1-CG2 3.67Å; F213-V217 HydrophobicContact CE2-CG2 4.35Å; F213-V217 HydrophobicContact CZ-CG2 3.79Å; F213-V217 WeakPolarHBondContact O-CG2 3.23Å; F213-V217 PolarHBondContact O-N 2.91Å; S214-V217 PolarHBondContact O-N 3.25Å; V217-F219 VanDerWaalsContact C-N 3.33Å; V217-F219 PolarHBondContact O-N 3.43Å; V217-L220 PolarHBondContact O-N 2.69Å; V217-L221 VanDerWaalsContact O-CB 3.26Å; V217-L221 WeakPolarHBondContact O-CB 3.48Å; V217-L221 PolarHBondContact O-N 3.09Å; V217-F277 HydrophobicContact CG1-CZ 4.2Å; V217-V280 HydrophobicContact CG2-CG1 4.05Å; V217-L284 HydrophobicContact CG1-CD1 3.84Å; V217-L284 HydrophobicContact CG2-CD1 3.96Å; V217-C290 HydrophobicContact CG1-CB 3.76Å; V217-V294 HydrophobicContact CG1-CG2 4.29Å |
| 218 | S | 91.2 | Very high | 88.1 | Confident | 21 Ų | 21 | 27.1 Ų | 27.1 | 15% | 0.147 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.3 | -38.5 | 176.7 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | S214 S215 L216 F222 | S214-S218 WeakPolarHBondContact O-CB 3.29Å; S214-S218 PolarHBondContact O-N 3.43Å; S214-S218 PolarHBondContact O-OG 2.76Å; S215-S218 PolarHBondContact O-N 3.38Å; L216-S218 PolarHBondContact O-N 3.33Å; S218-F222 VanDerWaalsContact O-CB 3.28Å; S218-F222 WeakPolarHBondContact O-CB 3.33Å; S218-F222 PolarHBondContact O-N 3.41Å |
| 219 | F | 92.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.1 | -52.3 | 174.7 | 177.6 | -91.8 | 0 | 0 | 0 | 111 | I183 S215 L216 V217 L221 F222 R223 F252 L257 L261 L273 | I183-F219 HydrophobicContact CG2-CD1 3.67Å; I183-F219 HydrophobicContact CG2-CD2 4.01Å; I183-F219 HydrophobicContact CG2-CE1 3.26Å; I183-F219 HydrophobicContact CG2-CE2 3.62Å; I183-F219 HydrophobicContact CG2-CG 4.02Å; I183-F219 HydrophobicContact CG2-CZ 3.19Å; S215-F219 WeakPolarHBondContact O-CB 3.46Å; S215-F219 PolarHBondContact O-N 2.94Å; L216-F219 WeakPolarHBondContact O-CB 3.5Å; L216-F219 PolarHBondContact O-N 3.4Å; V217-F219 VanDerWaalsContact C-N 3.33Å; V217-F219 PolarHBondContact O-N 3.43Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 2.88Å; F219-F222 PolarHBondContact O-N 3.19Å; F219-R223 HydrophobicContact CD1-CG 4.22Å; F219-R223 HydrophobicContact CE1-CG 3.91Å; F219-R223 HydrophobicContact CE2-CG 4.26Å; F219-R223 HydrophobicContact CZ-CG 3.97Å; F219-R223 WeakPolarHBondContact O-CB 3.44Å; F219-R223 VanDerWaalsContact O-CG 3.23Å; F219-R223 WeakPolarHBondContact O-CG 3.46Å; F219-R223 PolarHBondContact O-N 3.13Å; F219-F252 HydrophobicContact CB-CE1 3.72Å; F219-F252 HydrophobicContact CB-CZ 3.75Å; F219-F252 HydrophobicContact CD2-CD1 4.35Å; F219-F252 AromaticContact CD2-CE1 3.9Å; F219-F252 HydrophobicContact CD2-CE1 3.9Å; F219-F252 HydrophobicContact CG-CE1 4.27Å; F219-L257 HydrophobicContact CE2-CD2 4.36Å; F219-L261 HydrophobicContact CD2-CD1 4.42Å; F219-L261 HydrophobicContact CD2-CD2 3.72Å; F219-L261 HydrophobicContact CD2-CG 4.08Å; F219-L261 HydrophobicContact CE2-CD2 3.89Å; F219-L261 HydrophobicContact CE2-CG 3.94Å; F219-L273 HydrophobicContact CE1-CD2 4.42Å |
| 220 | L | 93.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | -178.8 | -63.1 | 174.3 | 0 | 0 | 0 | 111.2 | L186 L216 V217 R223 L224 L273 C276 F277 V280 | L186-L220 HydrophobicContact CD1-CD2 4.03Å; L216-L220 HydrophobicContact CD1-CD1 4.32Å; L216-L220 HydrophobicContact CD1-CG 4.31Å; L216-L220 HydrophobicContact CG-CD1 4.43Å; L216-L220 WeakPolarHBondContact O-CG 3.47Å; L216-L220 PolarHBondContact O-N 3.42Å; V217-L220 PolarHBondContact O-N 2.69Å; L220-R223 PolarHBondContact O-N 2.86Å; L220-L224 WeakPolarHBondContact O-CB 3.34Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.33Å; L220-L224 PolarHBondContact O-N 3.36Å; L220-L273 HydrophobicContact CD2-CD2 3.57Å; L220-C276 HydrophobicContact CD2-CB 4.21Å; L220-F277 HydrophobicContact CB-CD2 3.49Å; L220-F277 VanDerWaalsContact CB-CD2 3.49Å; L220-F277 HydrophobicContact CB-CE2 3.58Å; L220-F277 HydrophobicContact CD1-CD2 3.76Å; L220-F277 HydrophobicContact CD1-CE2 4.19Å; L220-F277 HydrophobicContact CD1-CG 4.42Å; L220-F277 HydrophobicContact CG-CD2 4.24Å; L220-V280 HydrophobicContact CD1-CB 4.39Å; L220-V280 HydrophobicContact CD1-CG1 4.43Å; L220-V280 HydrophobicContact CD1-CG2 4.27Å |
| 221 | L | 90.8 | Very high | 84.8 | Confident | 20 Ų | 20 | 29.9 Ų | 29.9 | 11% | 0.105 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.9 | -51.3 | 176.7 | -177.6 | 75.2 | 0 | 0 | 0 | 111.2 | V217 F219 R223 L224 Q225 V294 L297 | V217-L221 VanDerWaalsContact O-CB 3.26Å; V217-L221 WeakPolarHBondContact O-CB 3.48Å; V217-L221 PolarHBondContact O-N 3.09Å; F219-L221 VanDerWaalsContact C-N 3.34Å; F219-L221 PolarHBondContact O-N 2.88Å; L221-R223 PolarHBondContact O-N 3.04Å; L221-L224 PolarHBondContact O-N 3.36Å; L221-Q225 WeakPolarHBondContact O-CG 3.15Å; L221-Q225 PolarHBondContact O-N 3.07Å; L221-V294 HydrophobicContact CD1-CB 4.47Å; L221-V294 HydrophobicContact CD1-CG2 3.85Å; L221-L297 HydrophobicContact CD1-CB 4.22Å; L221-L297 HydrophobicContact CD1-CD2 3.52Å; L221-L297 HydrophobicContact CG-CD2 4.39Å |
| 222 | F | 89.3 | Confident | 83.3 | Confident | 10 Ų | 10 | 30.4 Ų | 30.4 | 4% | 0.044 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | -178.8 | -173.9 | -92.4 | 0 | 0 | 0 | 111.9 | S218 F219 Q225 M226 M235 F238 H241 L242 L245 L261 | S218-F222 VanDerWaalsContact O-CB 3.28Å; S218-F222 WeakPolarHBondContact O-CB 3.33Å; S218-F222 PolarHBondContact O-N 3.41Å; F219-F222 PolarHBondContact O-N 3.19Å; F222-Q225 WeakPolarHBondContact O-CB 3.29Å; F222-Q225 PolarHBondContact O-N 3.18Å; F222-M226 HydrophobicContact CE1-CG 4.39Å; F222-M226 HydrophobicContact CE1-SD 4.37Å; F222-M226 WeakPolarHBondContact O-CG 3.3Å; F222-M226 PolarHBondContact O-N 2.91Å; F222-M235 HydrophobicContact CD2-CE 4.49Å; F222-M235 HydrophobicContact CE2-CE 3.59Å; F222-M235 HydrophobicContact CZ-CE 3.84Å; F222-F238 AromaticContact CE1-CE2 3.86Å; F222-F238 HydrophobicContact CE1-CE2 3.86Å; F222-F238 HydrophobicContact CE1-CZ 4.32Å; F222-F238 HydrophobicContact CZ-CD2 4.25Å; F222-F238 AromaticContact CZ-CE2 3.54Å; F222-F238 HydrophobicContact CZ-CE2 3.54Å; F222-F238 HydrophobicContact CZ-CZ 4.2Å; F222-H241 HydrophobicContact CE2-CB 4.29Å; F222-L242 HydrophobicContact CE1-CD1 4.13Å; F222-L242 HydrophobicContact CZ-CB 4.17Å; F222-L242 HydrophobicContact CZ-CD1 4.09Å; F222-L245 HydrophobicContact CB-CD2 3.88Å; F222-L245 HydrophobicContact CD1-CD2 3.95Å; F222-L245 HydrophobicContact CD2-CD2 3.72Å; F222-L245 HydrophobicContact CE1-CD2 4.39Å; F222-L245 HydrophobicContact CE2-CD2 4.16Å; F222-L245 HydrophobicContact CG-CD2 3.57Å; F222-L245 HydrophobicContact CZ-CD2 4.47Å; F222-L261 HydrophobicContact CD1-CD2 3.57Å; F222-L261 HydrophobicContact CE1-CD2 4.15Å; F222-L261 HydrophobicContact CG-CD2 4.41Å |
| 223 | R | 89.8 | Confident | 81.7 | Confident | 5 Ų | 5 | 35 Ų | 35 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.4 | -40 | 176.3 | -69.7 | -72.5 | -61.3 | -74.2 | 6.1 | 111.9 | F219 L220 L221 Q225 M226 Q260 L261 L273 | F219-R223 HydrophobicContact CD1-CG 4.22Å; F219-R223 HydrophobicContact CE1-CG 3.91Å; F219-R223 HydrophobicContact CE2-CG 4.26Å; F219-R223 HydrophobicContact CZ-CG 3.97Å; F219-R223 WeakPolarHBondContact O-CB 3.44Å; F219-R223 VanDerWaalsContact O-CG 3.23Å; F219-R223 WeakPolarHBondContact O-CG 3.46Å; F219-R223 PolarHBondContact O-N 3.13Å; L220-R223 PolarHBondContact O-N 2.86Å; L221-R223 PolarHBondContact O-N 3.04Å; R223-Q225 VanDerWaalsContact C-N 3.35Å; R223-M226 WeakPolarHBondContact O-CB 3.36Å; R223-M226 PolarHBondContact O-N 3.18Å; R223-Q260 WeakPolarHBondContact CD-O 3.38Å; R223-Q260 PolarHBondContact NE-O 3.28Å; R223-L261 HydrophobicContact CG-CD2 4.12Å; R223-L273 HydrophobicContact CB-CD1 3.71Å; R223-L273 HydrophobicContact CB-CD2 4.42Å |
| 224 | L | 88.8 | Confident | 80.3 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.9 | -30.4 | 174.9 | -71.8 | 172.7 | 0 | 0 | 0 | 112.5 | L220 L221 M226 S227 L230 L273 L274 F277 L297 | L220-L224 WeakPolarHBondContact O-CB 3.34Å; L220-L224 VanDerWaalsContact O-CG 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.33Å; L220-L224 PolarHBondContact O-N 3.36Å; L221-L224 PolarHBondContact O-N 3.36Å; L224-M226 PolarHBondContact O-N 2.84Å; L224-S227 WeakPolarHBondContact O-CB 3.39Å; L224-S227 PolarHBondContact O-N 3.38Å; L224-L230 WeakPolarHBondContact O-CD1 3.47Å; L224-L273 HydrophobicContact CD2-CB 3.93Å; L224-L273 HydrophobicContact CD2-CD1 4.38Å; L224-L273 HydrophobicContact CG-CB 4.33Å; L224-L274 HydrophobicContact CD1-CD2 4.01Å; L224-L274 HydrophobicContact CD2-CD2 4.06Å; L224-L274 HydrophobicContact CD2-CG 4.06Å; L224-F277 HydrophobicContact CD1-CD2 3.91Å; L224-F277 HydrophobicContact CD1-CE2 4.49Å; L224-L297 HydrophobicContact CB-CD2 3.77Å |
| 225 | Q | 87 | Confident | 79.3 | Confident | 78 Ų | 78 | 42.1 Ų | 42.1 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.6 | -26.1 | 172.6 | -76.4 | 174.8 | -27.4 | 0 | 0 | 113.1 | L221 F222 R223 S227 L297 | L221-Q225 WeakPolarHBondContact O-CG 3.15Å; L221-Q225 PolarHBondContact O-N 3.07Å; F222-Q225 WeakPolarHBondContact O-CB 3.29Å; F222-Q225 PolarHBondContact O-N 3.18Å; R223-Q225 VanDerWaalsContact C-N 3.35Å; Q225-S227 PolarHBondContact O-N 2.9Å; Q225-L297 HydrophobicContact CG-CD1 3.76Å; Q225-L297 HydrophobicContact CG-CD2 3.88Å; Q225-L297 HydrophobicContact CG-CG 4.46Å |
| 226 | M | 84.1 | Confident | 78.2 | Confident | 33 Ų | 33 | 49.9 Ų | 49.9 | 16% | 0.163 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 6.5 | 171.8 | -60.4 | -127.9 | 81.5 | 0 | 0 | 113.3 | F222 R223 L224 F238 | F222-M226 HydrophobicContact CE1-CG 4.39Å; F222-M226 HydrophobicContact CE1-SD 4.37Å; F222-M226 WeakPolarHBondContact O-CG 3.3Å; F222-M226 PolarHBondContact O-N 2.91Å; R223-M226 WeakPolarHBondContact O-CB 3.36Å; R223-M226 PolarHBondContact O-N 3.18Å; L224-M226 PolarHBondContact O-N 2.84Å; M226-F238 HydrophobicContact CE-CD2 3.47Å; M226-F238 VanDerWaalsContact CE-CD2 3.47Å; M226-F238 HydrophobicContact CE-CE2 3.31Å; M226-F238 HydrophobicContact CE-CG 4.5Å; M226-F238 HydrophobicContact CE-CZ 4.19Å; M226-F238 HydrophobicContact CG-CE2 4.49Å; M226-F238 HydrophobicContact SD-CD2 4.08Å; M226-F238 HydrophobicContact SD-CE2 3.27Å; M226-F238 WeakPolarHBondContact SD-CE2 3.42Å; M226-F238 HydrophobicContact SD-CZ 3.89Å |
| 227 | S | 76.9 | Confident | 77.4 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | trans | -59 | 134.1 | 179.9 | 174 | 0 | 0 | 0 | 0 | 111.1 | L224 Q225 F229 L230 M270 | L224-S227 WeakPolarHBondContact O-CB 3.39Å; L224-S227 PolarHBondContact O-N 3.38Å; Q225-S227 PolarHBondContact O-N 2.9Å; S227-F229 PolarHBondContact O-N 3.47Å; S227-F229 VanDerWaalsContact O-N 3.09Å; S227-F229 WeakPolarHBondContact OG-CD2 3.22Å; S227-F229 PolarHBondContact OG-N 3.36Å; S227-F229 VanDerWaalsContact OG-N 3.15Å; S227-L230 PolarHBondContact O-N 3.46Å; S227-M270 VanDerWaalsContact CB-SD 3.57Å; S227-M270 PolarHBondContact OG-SD 3.26Å | ||
| 228 | P | 69.7 | Low | 76.9 | Confident | 73 Ų | 73 | 59 Ų | 59 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.9 | 172.5 | 26.1 | -35.4 | 0 | 0 | 0 | 113.4 | M270 | P228-M270 HydrophobicContact CG-CE 3.63Å; P228-M270 HydrophobicContact CG-SD 4.41Å |
| 229 | F | 70.3 | Confident | 76.5 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 18% | 0.184 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -11.4 | -178 | -54.5 | -55.7 | 0 | 0 | 0 | 114.6 | S227 V267 M270 S304 I315 | S227-F229 PolarHBondContact O-N 3.47Å; S227-F229 VanDerWaalsContact O-N 3.09Å; S227-F229 WeakPolarHBondContact OG-CD2 3.22Å; S227-F229 PolarHBondContact OG-N 3.36Å; S227-F229 VanDerWaalsContact OG-N 3.15Å; F229-V267 HydrophobicContact CZ-CG2 4.21Å; F229-M270 HydrophobicContact CD2-CE 3.69Å; F229-M270 HydrophobicContact CD2-SD 3.78Å; F229-M270 HydrophobicContact CE2-CE 3.09Å; F229-M270 HydrophobicContact CE2-SD 3.72Å; F229-M270 HydrophobicContact CZ-CE 3.73Å; F229-S304 WeakPolarHBondContact O-CB 3.46Å; F229-S304 PolarHBondContact O-OG 3.16Å; F229-I315 HydrophobicContact CD2-CG2 4.24Å; F229-I315 HydrophobicContact CE2-CB 4.38Å; F229-I315 HydrophobicContact CE2-CD1 4.27Å; F229-I315 HydrophobicContact CE2-CG1 3.82Å; F229-I315 HydrophobicContact CE2-CG2 4.14Å; F229-I315 HydrophobicContact CZ-CG1 4.33Å |
| 230 | L | 66.5 | Low | 76.1 | Confident | 40 Ų | 40 | 68 Ų | 68 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -36.4 | -173.2 | -74.8 | 168.7 | 0 | 0 | 0 | 113.4 | L224 S227 L297 S300 I301 | L224-L230 WeakPolarHBondContact O-CD1 3.47Å; S227-L230 PolarHBondContact O-N 3.46Å; L230-L297 HydrophobicContact CD1-CD1 3.46Å; L230-L297 VanDerWaalsContact CD1-CD1 3.46Å; L230-L297 HydrophobicContact CD2-CD1 4.27Å; L230-S300 VanDerWaalsContact CD2-OG 3.29Å; L230-S300 WeakPolarHBondContact CD2-OG 3.46Å; L230-I301 HydrophobicContact CD1-CG1 4.27Å; L230-I301 HydrophobicContact CD2-CG1 3.64Å; L230-I301 HydrophobicContact CG-CG1 4.06Å |
| 231 | T | 55.4 | Low | 75.6 | Confident | 94 Ų | 94 | 72.4 Ų | 72.4 | 58% | 0.577 | 38% | 0.38 | S | S | * | . | trans | -162.7 | 139.1 | 176.7 | 41.7 | 0 | 0 | 0 | 0 | 111.5 | K233 | T231-K233 PolarHBondContact O-N 2.94Å; T231-K233 PolarHBondContact OG1-O 3.11Å | ||
| 232 | S | 55 | Low | 75.4 | Confident | 131 Ų | 131 | 71.8 Ų | 71.8 | 92% | 0.916 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -64.8 | -12.2 | 165.9 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 233 | K | 57.6 | Low | 75.2 | Confident | 157 Ų | 157 | 74.1 Ų | 74.1 | 68% | 0.683 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -93.7 | 132.1 | 176.5 | -68.4 | -176.3 | 178.7 | 179.7 | 0 | 110.7 | T231 | T231-K233 PolarHBondContact O-N 2.94Å; T231-K233 PolarHBondContact OG1-O 3.11Å |
| 234 | P | 60.5 | Low | 75.1 | Confident | 118 Ų | 118 | 80 Ų | 80 | 77% | 0.766 | 42% | 0.42 | S | S | * | . | trans | -61.7 | 146.8 | 174 | 25 | -32.1 | 0 | 0 | 0 | 110.9 | E236 | P234-E236 PolarHBondContact O-N 3.35Å; P234-E236 VanDerWaalsContact O-N 3.11Å | ||
| 235 | M | 68.9 | Low | 74.9 | Confident | 50 Ų | 50 | 80.8 Ų | 80.8 | 25% | 0.246 | 42% | 0.424 | C | S | . | . | trans | -54.8 | 115.2 | -179.3 | -170.6 | 164.1 | 87.9 | 0 | 0 | 110.7 | F222 K237 F238 H241 | F222-M235 HydrophobicContact CD2-CE 4.49Å; F222-M235 HydrophobicContact CE2-CE 3.59Å; F222-M235 HydrophobicContact CZ-CE 3.84Å; M235-K237 PolarHBondContact O-N 3.43Å; M235-F238 HydrophobicContact CE-CD2 3.49Å; M235-F238 VanDerWaalsContact CE-CD2 3.49Å; M235-F238 HydrophobicContact CE-CE2 4.09Å; M235-F238 HydrophobicContact CE-CG 4.45Å; M235-F238 PolarHBondContact O-N 2.94Å; M235-H241 HydrophobicContact CE-CB 3.79Å | ||
| 236 | E | 68.8 | Low | 74.9 | Confident | 166 Ų | 166 | 78.8 Ų | 78.8 | 78% | 0.776 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 134.2 | 177.2 | -71.6 | -174 | 178.1 | 0 | 0 | 110.1 | P234 F238 | P234-E236 PolarHBondContact O-N 3.35Å; P234-E236 VanDerWaalsContact O-N 3.11Å; E236-F238 VanDerWaalsContact C-N 3.29Å; E236-F238 PolarHBondContact O-N 2.86Å |
| 237 | K | 76.6 | Confident | 75 | Confident | 147 Ų | 147 | 82.6 Ų | 82.6 | 64% | 0.639 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 40 | -177.9 | -56.3 | -179.2 | 175.8 | -177 | 0 | 113.9 | M235 D239 D240 H241 | M235-K237 PolarHBondContact O-N 3.43Å; K237-D239 VanDerWaalsContact C-N 3.25Å; K237-D239 PolarHBondContact O-N 3.03Å; K237-D240 HydrophobicContact CB-CB 4.04Å; K237-D240 PolarHBondContact O-N 3.37Å; K237-H241 PolarHBondContact O-N 3.21Å |
| 238 | F | 81.8 | Confident | 75.3 | Confident | 43 Ų | 43 | 87.7 Ų | 87.7 | 19% | 0.189 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -46.5 | -48.2 | 175.9 | 177.2 | -101.4 | 0 | 0 | 0 | 113.2 | F222 M226 M235 E236 D240 H241 L242 | F222-F238 AromaticContact CE1-CE2 3.86Å; F222-F238 HydrophobicContact CE1-CE2 3.86Å; F222-F238 HydrophobicContact CE1-CZ 4.32Å; F222-F238 HydrophobicContact CZ-CD2 4.25Å; F222-F238 AromaticContact CZ-CE2 3.54Å; F222-F238 HydrophobicContact CZ-CE2 3.54Å; F222-F238 HydrophobicContact CZ-CZ 4.2Å; M226-F238 HydrophobicContact CE-CD2 3.47Å; M226-F238 VanDerWaalsContact CE-CD2 3.47Å; M226-F238 HydrophobicContact CE-CE2 3.31Å; M226-F238 HydrophobicContact CE-CG 4.5Å; M226-F238 HydrophobicContact CE-CZ 4.19Å; M226-F238 HydrophobicContact CG-CE2 4.49Å; M226-F238 HydrophobicContact SD-CD2 4.08Å; M226-F238 HydrophobicContact SD-CE2 3.27Å; M226-F238 WeakPolarHBondContact SD-CE2 3.42Å; M226-F238 HydrophobicContact SD-CZ 3.89Å; M235-F238 HydrophobicContact CE-CD2 3.49Å; M235-F238 VanDerWaalsContact CE-CD2 3.49Å; M235-F238 HydrophobicContact CE-CE2 4.09Å; M235-F238 HydrophobicContact CE-CG 4.45Å; M235-F238 PolarHBondContact O-N 2.94Å; E236-F238 VanDerWaalsContact C-N 3.29Å; E236-F238 PolarHBondContact O-N 2.86Å; F238-D240 VanDerWaalsContact C-N 3.34Å; F238-D240 PolarHBondContact O-N 2.81Å; F238-H241 PolarHBondContact O-N 3.45Å; F238-L242 HydrophobicContact CE1-CB 4.4Å; F238-L242 HydrophobicContact CE1-CD2 3.75Å; F238-L242 HydrophobicContact CZ-CB 4.37Å; F238-L242 HydrophobicContact CZ-CD2 3.91Å; F238-L242 WeakPolarHBondContact O-CB 3.47Å; F238-L242 PolarHBondContact O-N 2.94Å |
| 239 | D | 82.5 | Confident | 76 | Confident | 119 Ų | 119 | 84.8 Ų | 84.8 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.2 | -35.1 | -178.8 | -66.6 | -37.4 | 0 | 0 | 0 | 112.9 | K237 S243 | K237-D239 VanDerWaalsContact C-N 3.25Å; K237-D239 PolarHBondContact O-N 3.03Å; D239-S243 WeakPolarHBondContact O-CB 3.46Å; D239-S243 PolarHBondContact O-N 3.4Å; D239-S243 PolarHBondContact O-OG 3.46Å |
| 240 | D | 84.3 | Confident | 76.5 | Confident | 92 Ų | 92 | 85.9 Ų | 85.9 | 49% | 0.492 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.3 | -41.8 | 175.3 | -63.7 | -20.1 | 0 | 0 | 0 | 110.7 | K237 F238 S243 K244 | K237-D240 HydrophobicContact CB-CB 4.04Å; K237-D240 PolarHBondContact O-N 3.37Å; F238-D240 VanDerWaalsContact C-N 3.34Å; F238-D240 PolarHBondContact O-N 2.81Å; D240-S243 WeakPolarHBondContact CA-OG 3.47Å; D240-S243 PolarHBondContact O-OG 3.47Å; D240-K244 VanDerWaalsContact O-CB 3.27Å; D240-K244 WeakPolarHBondContact O-CB 3.14Å; D240-K244 PolarHBondContact O-N 3.41Å |
| 241 | H | 83.2 | Confident | 77.5 | Confident | 92 Ų | 92 | 84 Ų | 84 | 43% | 0.426 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67 | -43.4 | 177.4 | -72.9 | -173.4 | 0 | 0 | 0 | 111.6 | F222 M235 K237 F238 L245 | F222-H241 HydrophobicContact CE2-CB 4.29Å; M235-H241 HydrophobicContact CE-CB 3.79Å; K237-H241 PolarHBondContact O-N 3.21Å; F238-H241 PolarHBondContact O-N 3.45Å; H241-L245 VanDerWaalsContact O-CB 3.3Å; H241-L245 WeakPolarHBondContact O-CB 3.3Å; H241-L245 PolarHBondContact O-N 3.39Å |
| 242 | L | 86.1 | Confident | 79.1 | Confident | 8 Ų | 8 | 79.5 Ų | 79.5 | 4% | 0.042 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 177.5 | -179.9 | 60.7 | 0 | 0 | 0 | 111.1 | F222 F238 K244 L245 I246 L261 K262 | F222-L242 HydrophobicContact CE1-CD1 4.13Å; F222-L242 HydrophobicContact CZ-CB 4.17Å; F222-L242 HydrophobicContact CZ-CD1 4.09Å; F238-L242 HydrophobicContact CE1-CB 4.4Å; F238-L242 HydrophobicContact CE1-CD2 3.75Å; F238-L242 HydrophobicContact CZ-CB 4.37Å; F238-L242 HydrophobicContact CZ-CD2 3.91Å; F238-L242 WeakPolarHBondContact O-CB 3.47Å; F238-L242 PolarHBondContact O-N 2.94Å; L242-K244 PolarHBondContact O-N 2.93Å; L242-L245 WeakPolarHBondContact O-CB 3.45Å; L242-L245 PolarHBondContact O-N 2.94Å; L242-I246 HydrophobicContact CD1-CD1 3.93Å; L242-I246 HydrophobicContact CD1-CG1 4.21Å; L242-I246 HydrophobicContact CG-CD1 3.78Å; L242-I246 HydrophobicContact CG-CG1 4.48Å; L242-I246 WeakPolarHBondContact O-CD1 3.24Å; L242-I246 VanDerWaalsContact O-CG1 3.22Å; L242-I246 WeakPolarHBondContact O-CG1 3.47Å; L242-I246 PolarHBondContact O-N 3.28Å; L242-L261 HydrophobicContact CD1-CB 4.02Å; L242-L261 HydrophobicContact CD1-CD1 4.4Å; L242-K262 HydrophobicContact CD2-CG 3.96Å |
| 243 | S | 85.4 | Confident | 80.5 | Confident | 59 Ų | 59 | 79.3 Ų | 79.3 | 41% | 0.413 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 178 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | D239 D240 I246 T247 | D239-S243 WeakPolarHBondContact O-CB 3.46Å; D239-S243 PolarHBondContact O-N 3.4Å; D239-S243 PolarHBondContact O-OG 3.46Å; D240-S243 WeakPolarHBondContact CA-OG 3.47Å; D240-S243 PolarHBondContact O-OG 3.47Å; S243-I246 PolarHBondContact O-N 2.82Å; S243-T247 WeakPolarHBondContact O-CB 3.39Å; S243-T247 PolarHBondContact O-N 2.94Å; S243-T247 PolarHBondContact O-OG1 2.91Å |
| 244 | K | 86.7 | Confident | 81.8 | Confident | 128 Ų | 128 | 74.9 Ų | 74.9 | 56% | 0.557 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61 | -47.8 | 171.7 | -176.3 | 177 | 175.7 | -178.9 | 0 | 111.6 | D240 L242 I246 T247 E248 | D240-K244 VanDerWaalsContact O-CB 3.27Å; D240-K244 WeakPolarHBondContact O-CB 3.14Å; D240-K244 PolarHBondContact O-N 3.41Å; L242-K244 PolarHBondContact O-N 2.93Å; K244-I246 VanDerWaalsContact C-N 3.34Å; K244-I246 PolarHBondContact O-N 3.49Å; K244-T247 PolarHBondContact O-N 3.24Å; K244-E248 WeakPolarHBondContact CE-OE1 3.2Å; K244-E248 WeakPolarHBondContact CG-OE1 3.24Å; K244-E248 WeakPolarHBondContact O-CG 3.27Å; K244-E248 PolarHBondContact O-N 2.71Å |
| 245 | L | 86.2 | Confident | 82.9 | Confident | 20 Ų | 20 | 73.8 Ų | 73.8 | 11% | 0.105 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 179.7 | -172.1 | 75.6 | 0 | 0 | 0 | 112.1 | F222 H241 L242 E248 N249 F252 L261 | F222-L245 HydrophobicContact CB-CD2 3.88Å; F222-L245 HydrophobicContact CD1-CD2 3.95Å; F222-L245 HydrophobicContact CD2-CD2 3.72Å; F222-L245 HydrophobicContact CE1-CD2 4.39Å; F222-L245 HydrophobicContact CE2-CD2 4.16Å; F222-L245 HydrophobicContact CG-CD2 3.57Å; F222-L245 HydrophobicContact CZ-CD2 4.47Å; H241-L245 VanDerWaalsContact O-CB 3.3Å; H241-L245 WeakPolarHBondContact O-CB 3.3Å; H241-L245 PolarHBondContact O-N 3.39Å; L242-L245 WeakPolarHBondContact O-CB 3.45Å; L242-L245 PolarHBondContact O-N 2.94Å; L245-E248 PolarHBondContact O-N 3.35Å; L245-N249 WeakPolarHBondContact O-CB 3.15Å; L245-N249 PolarHBondContact O-N 2.85Å; L245-N249 VanDerWaalsContact O-N 3.1Å; L245-N249 PolarHBondContact O-ND2 3.43Å; L245-F252 HydrophobicContact CD1-CE2 3.92Å; L245-F252 HydrophobicContact CD2-CD2 3.97Å; L245-F252 HydrophobicContact CD2-CE2 3.85Å; L245-F252 HydrophobicContact CG-CD2 3.72Å; L245-F252 HydrophobicContact CG-CE2 3.59Å; L245-L261 HydrophobicContact CD2-CD1 4.42Å; L245-L261 HydrophobicContact CD2-CD2 4.25Å |
| 246 | I | 87 | Confident | 83.7 | Confident | 35 Ų | 35 | 75.7 Ų | 75.7 | 18% | 0.179 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 177.2 | -66.2 | 162 | 0 | 0 | 0 | 111.1 | L242 S243 K244 E248 N249 F252 Q253 L258 | L242-I246 HydrophobicContact CD1-CD1 3.93Å; L242-I246 HydrophobicContact CD1-CG1 4.21Å; L242-I246 HydrophobicContact CG-CD1 3.78Å; L242-I246 HydrophobicContact CG-CG1 4.48Å; L242-I246 WeakPolarHBondContact O-CD1 3.24Å; L242-I246 VanDerWaalsContact O-CG1 3.22Å; L242-I246 WeakPolarHBondContact O-CG1 3.47Å; L242-I246 PolarHBondContact O-N 3.28Å; S243-I246 PolarHBondContact O-N 2.82Å; K244-I246 VanDerWaalsContact C-N 3.34Å; K244-I246 PolarHBondContact O-N 3.49Å; I246-E248 VanDerWaalsContact C-N 3.33Å; I246-N249 CarbonylContact O-C 3.54Å; I246-N249 PolarHBondContact O-N 2.94Å; I246-F252 HydrophobicContact CG1-CB 4.26Å; I246-Q253 HydrophobicContact CG2-CG 3.87Å; I246-L258 HydrophobicContact CD1-CD1 3.41Å; I246-L258 VanDerWaalsContact CD1-CD1 3.41Å; I246-L258 HydrophobicContact CG1-CD1 4.23Å |
| 247 | T | 84.9 | Confident | 84.6 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 69% | 0.693 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.8 | -38.1 | 178.8 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | S243 K244 | S243-T247 WeakPolarHBondContact O-CB 3.39Å; S243-T247 PolarHBondContact O-N 2.94Å; S243-T247 PolarHBondContact O-OG1 2.91Å; K244-T247 PolarHBondContact O-N 3.24Å |
| 248 | E | 83.7 | Confident | 85 | Confident | 115 Ų | 115 | 63 Ų | 63 | 54% | 0.537 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -76.4 | -25.1 | 179.2 | -70.6 | 175.3 | -179.4 | 0 | 0 | 113.3 | K244 L245 I246 | K244-E248 WeakPolarHBondContact CE-OE1 3.2Å; K244-E248 WeakPolarHBondContact CG-OE1 3.24Å; K244-E248 WeakPolarHBondContact O-CG 3.27Å; K244-E248 PolarHBondContact O-N 2.71Å; L245-E248 PolarHBondContact O-N 3.35Å; I246-E248 VanDerWaalsContact C-N 3.33Å |
| 249 | N | 85 | Confident | 85.3 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 6% | 0.064 | 34% | 0.342 | C | S | . | . | trans | -129.4 | 100.1 | -171.8 | -63.2 | -84 | 0 | 0 | 0 | 111.9 | S215 L245 I246 L251 F252 | S215-N249 WeakPolarHBondContact CA-OD1 3.27Å; S215-N249 WeakPolarHBondContact CB-OD1 3.39Å; S215-N249 PolarHBondContact OG-OD1 3.1Å; L245-N249 WeakPolarHBondContact O-CB 3.15Å; L245-N249 PolarHBondContact O-N 2.85Å; L245-N249 VanDerWaalsContact O-N 3.1Å; L245-N249 PolarHBondContact O-ND2 3.43Å; I246-N249 CarbonylContact O-C 3.54Å; I246-N249 PolarHBondContact O-N 2.94Å; N249-L251 PolarHBondContact O-N 3.21Å; N249-F252 HydrophobicContact CB-CD2 3.33Å; N249-F252 HydrophobicContact CB-CE2 3.34Å; N249-F252 HydrophobicContact CB-CG 4Å; N249-F252 HydrophobicContact CB-CZ 4.03Å; N249-F252 PolarHBondContact O-N 3.39Å | ||
| 250 | T | 81.2 | Confident | 85.5 | Confident | 64 Ų | 64 | 61.6 Ų | 61.6 | 39% | 0.393 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -55.7 | -25.9 | 178.8 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | F252 Q253 | T250-F252 VanDerWaalsContact C-N 3.26Å; T250-F252 PolarHBondContact O-N 2.91Å; T250-Q253 PolarHBondContact O-N 2.92Å |
| 251 | L | 86.4 | Confident | 85.7 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -58.4 | -38.3 | 175.9 | -167.3 | 84.5 | 0 | 0 | 0 | 111.8 | L176 L179 I183 N249 Q253 R254 L257 | L176-L251 HydrophobicContact CD2-CD1 4.11Å; L176-L251 HydrophobicContact CG-CD1 3.89Å; L179-L251 HydrophobicContact CB-CD1 4.37Å; L179-L251 HydrophobicContact CD2-CD1 3.93Å; L179-L251 HydrophobicContact CD2-CD2 3.78Å; L179-L251 HydrophobicContact CG-CD1 4.27Å; L179-L251 HydrophobicContact CG-CD2 4.11Å; I183-L251 HydrophobicContact CD1-CD2 3.72Å; N249-L251 PolarHBondContact O-N 3.21Å; L251-Q253 PolarHBondContact O-N 3.38Å; L251-R254 WeakPolarHBondContact O-CB 3.48Å; L251-R254 PolarHBondContact O-N 3Å; L251-L257 HydrophobicContact CD2-CD1 3.89Å; L251-L257 HydrophobicContact CG-CD1 3.74Å |
| 252 | F | 88.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -80.4 | -2.4 | -173.1 | -52.9 | -27.9 | 0 | 0 | 0 | 114 | S215 F219 L245 I246 N249 T250 R254 L261 | S215-F252 VanDerWaalsContact O-CZ 3.23Å; S215-F252 WeakPolarHBondContact O-CZ 3.47Å; F219-F252 HydrophobicContact CB-CE1 3.72Å; F219-F252 HydrophobicContact CB-CZ 3.75Å; F219-F252 HydrophobicContact CD2-CD1 4.35Å; F219-F252 AromaticContact CD2-CE1 3.9Å; F219-F252 HydrophobicContact CD2-CE1 3.9Å; F219-F252 HydrophobicContact CG-CE1 4.27Å; L245-F252 HydrophobicContact CD1-CE2 3.92Å; L245-F252 HydrophobicContact CD2-CD2 3.97Å; L245-F252 HydrophobicContact CD2-CE2 3.85Å; L245-F252 HydrophobicContact CG-CD2 3.72Å; L245-F252 HydrophobicContact CG-CE2 3.59Å; I246-F252 HydrophobicContact CG1-CB 4.26Å; N249-F252 HydrophobicContact CB-CD2 3.33Å; N249-F252 HydrophobicContact CB-CE2 3.34Å; N249-F252 HydrophobicContact CB-CG 4Å; N249-F252 HydrophobicContact CB-CZ 4.03Å; N249-F252 PolarHBondContact O-N 3.39Å; T250-F252 VanDerWaalsContact C-N 3.26Å; T250-F252 PolarHBondContact O-N 2.91Å; F252-R254 PolarHBondContact O-N 3.34Å; F252-L261 HydrophobicContact CB-CD1 3.86Å; F252-L261 HydrophobicContact CD1-CD1 4.12Å; F252-L261 HydrophobicContact CD2-CD1 4.21Å; F252-L261 HydrophobicContact CG-CD1 3.81Å |
| 253 | Q | 84.4 | Confident | 85.7 | Confident | 126 Ų | 126 | 63.1 Ų | 63.1 | 59% | 0.589 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -73.8 | -11.4 | 169.8 | -63.5 | 178.5 | -2.5 | 0 | 0 | 112 | I246 T250 L251 | I246-Q253 HydrophobicContact CG2-CG 3.87Å; T250-Q253 PolarHBondContact O-N 2.92Å; L251-Q253 PolarHBondContact O-N 3.38Å |
| 254 | R | 85.5 | Confident | 85.6 | Confident | 65 Ų | 65 | 65 Ų | 65 | 25% | 0.245 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -71.7 | 137.5 | 176.8 | -68 | -166.1 | 172.4 | -155.2 | -3.8 | 111.4 | D177 D180 L251 F252 H256 L257 L258 | D177-R254 IonicContact OD1-CZ 3.74Å; D177-R254 VanDerWaalsContact OD1-CZ 3.31Å; D177-R254 IonicContact OD1-NH1 3.8Å; D177-R254 PolarHBondContact OD1-NH1 3.5Å; D177-R254 IonicContact OD1-NH2 2.72Å; D177-R254 PolarHBondContact OD1-NH2 3.39Å; D180-R254 VanDerWaalsContact CB-NH1 3.3Å; D180-R254 VanDerWaalsContact CG-NH1 3.34Å; D180-R254 VanDerWaalsContact OD1-CD 3.31Å; D180-R254 WeakPolarHBondContact OD1-CD 3.26Å; D180-R254 WeakPolarHBondContact OD2-CD 3.22Å; D180-R254 IonicContact OD2-CZ 2.95Å; D180-R254 IonicContact OD2-NE 3.36Å; D180-R254 IonicContact OD2-NH1 2.86Å; D180-R254 PolarHBondContact OD2-NH1 2.98Å; L251-R254 WeakPolarHBondContact O-CB 3.48Å; L251-R254 PolarHBondContact O-N 3Å; F252-R254 PolarHBondContact O-N 3.34Å; R254-H256 PolarHBondContact O-N 3.43Å; R254-L257 PolarHBondContact O-N 2.98Å; R254-L258 WeakPolarHBondContact O-CB 3.46Å; R254-L258 PolarHBondContact O-N 2.7Å |
| 255 | P | 84 | Confident | 85.6 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 62% | 0.617 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.2 | -43.9 | -168.2 | 22.5 | -32.9 | 0 | 0 | 0 | 113 | L257 L258 E259 | P255-L257 PolarHBondContact O-N 3.32Å; P255-L258 PolarHBondContact O-N 3.06Å; P255-E259 WeakPolarHBondContact O-CB 3.36Å; P255-E259 PolarHBondContact O-N 2.86Å |
| 256 | H | 85 | Confident | 85.7 | Confident | 90 Ų | 90 | 61.3 Ų | 61.3 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | -179.2 | -60.9 | -58.6 | 0 | 0 | 0 | 112.8 | T184 R254 E259 Q260 | T184-H256 HydrophobicContact CG2-CB 3.88Å; R254-H256 PolarHBondContact O-N 3.43Å; H256-E259 PolarHBondContact O-N 2.88Å; H256-Q260 WeakPolarHBondContact O-CG 3.36Å; H256-Q260 PolarHBondContact O-N 3.03Å; H256-Q260 VanDerWaalsContact O-N 3.07Å |
| 257 | L | 87.7 | Confident | 85.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.7 | -39 | 178.2 | -60.4 | -174.8 | 0 | 0 | 0 | 111.7 | D180 I183 F219 L251 R254 P255 E259 Q260 L261 | D180-L257 WeakPolarHBondContact OD1-CD1 3.46Å; D180-L257 VanDerWaalsContact OD1-CG 3.29Å; D180-L257 WeakPolarHBondContact OD1-CG 3.34Å; I183-L257 HydrophobicContact CB-CD2 3.82Å; I183-L257 HydrophobicContact CG2-CD2 3.39Å; F219-L257 HydrophobicContact CE2-CD2 4.36Å; L251-L257 HydrophobicContact CD2-CD1 3.89Å; L251-L257 HydrophobicContact CG-CD1 3.74Å; R254-L257 PolarHBondContact O-N 2.98Å; P255-L257 PolarHBondContact O-N 3.32Å; L257-E259 VanDerWaalsContact C-N 3.29Å; L257-E259 PolarHBondContact O-N 3.38Å; L257-Q260 PolarHBondContact O-N 3.01Å; L257-L261 WeakPolarHBondContact O-CB 3.16Å; L257-L261 VanDerWaalsContact O-CG 3.29Å; L257-L261 WeakPolarHBondContact O-CG 3.45Å; L257-L261 PolarHBondContact O-N 2.9Å |
| 258 | L | 86.3 | Confident | 85.8 | Confident | 47 Ų | 47 | 60.2 Ų | 60.2 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 175.3 | -177.8 | 62.1 | 0 | 0 | 0 | 111.5 | I246 R254 P255 L261 K262 | I246-L258 HydrophobicContact CD1-CD1 3.41Å; I246-L258 VanDerWaalsContact CD1-CD1 3.41Å; I246-L258 HydrophobicContact CG1-CD1 4.23Å; R254-L258 WeakPolarHBondContact O-CB 3.46Å; R254-L258 PolarHBondContact O-N 2.7Å; P255-L258 PolarHBondContact O-N 3.06Å; L258-L261 PolarHBondContact O-N 3.06Å; L258-K262 WeakPolarHBondContact O-CG 3.39Å; L258-K262 PolarHBondContact O-N 3.27Å |
| 259 | E | 86.2 | Confident | 86.1 | Confident | 114 Ų | 114 | 55.4 Ų | 55.4 | 53% | 0.533 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 174.8 | -172.1 | 176 | -176.2 | 0 | 0 | 111.2 | P255 H256 L257 L261 K262 Q263 | P255-E259 WeakPolarHBondContact O-CB 3.36Å; P255-E259 PolarHBondContact O-N 2.86Å; H256-E259 PolarHBondContact O-N 2.88Å; L257-E259 VanDerWaalsContact C-N 3.29Å; L257-E259 PolarHBondContact O-N 3.38Å; E259-L261 VanDerWaalsContact C-N 3.35Å; E259-L261 PolarHBondContact O-N 3.42Å; E259-K262 PolarHBondContact O-N 3.19Å; E259-Q263 WeakPolarHBondContact O-CG 3.39Å; E259-Q263 PolarHBondContact O-N 3.34Å |
| 260 | Q | 87.7 | Confident | 86.3 | Confident | 17 Ų | 17 | 54.9 Ų | 54.9 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -34.3 | 177 | -74 | -169.2 | 2.4 | 0 | 0 | 114.1 | I183 T184 R223 H256 L257 K262 Q263 | I183-Q260 PolarHBondContact O-OE1 3.25Å; T184-Q260 PolarHBondContact O-NE2 3.27Å; R223-Q260 WeakPolarHBondContact CD-O 3.38Å; R223-Q260 PolarHBondContact NE-O 3.28Å; H256-Q260 WeakPolarHBondContact O-CG 3.36Å; H256-Q260 PolarHBondContact O-N 3.03Å; H256-Q260 VanDerWaalsContact O-N 3.07Å; L257-Q260 PolarHBondContact O-N 3.01Å; Q260-K262 PolarHBondContact O-N 3.28Å; Q260-Q263 PolarHBondContact O-N 2.92Å |
| 261 | L | 87.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.5 | -21.1 | 177.1 | -75.3 | 168.6 | 0 | 0 | 0 | 112.9 | F219 F222 R223 L242 L245 F252 L257 L258 E259 | F219-L261 HydrophobicContact CD2-CD1 4.42Å; F219-L261 HydrophobicContact CD2-CD2 3.72Å; F219-L261 HydrophobicContact CD2-CG 4.08Å; F219-L261 HydrophobicContact CE2-CD2 3.89Å; F219-L261 HydrophobicContact CE2-CG 3.94Å; F222-L261 HydrophobicContact CD1-CD2 3.57Å; F222-L261 HydrophobicContact CE1-CD2 4.15Å; F222-L261 HydrophobicContact CG-CD2 4.41Å; R223-L261 HydrophobicContact CG-CD2 4.12Å; L242-L261 HydrophobicContact CD1-CB 4.02Å; L242-L261 HydrophobicContact CD1-CD1 4.4Å; L245-L261 HydrophobicContact CD2-CD1 4.42Å; L245-L261 HydrophobicContact CD2-CD2 4.25Å; F252-L261 HydrophobicContact CB-CD1 3.86Å; F252-L261 HydrophobicContact CD1-CD1 4.12Å; F252-L261 HydrophobicContact CD2-CD1 4.21Å; F252-L261 HydrophobicContact CG-CD1 3.81Å; L257-L261 WeakPolarHBondContact O-CB 3.16Å; L257-L261 VanDerWaalsContact O-CG 3.29Å; L257-L261 WeakPolarHBondContact O-CG 3.45Å; L257-L261 PolarHBondContact O-N 2.9Å; L258-L261 PolarHBondContact O-N 3.06Å; E259-L261 VanDerWaalsContact C-N 3.35Å; E259-L261 PolarHBondContact O-N 3.42Å |
| 262 | K | 85.7 | Confident | 87.3 | Confident | 128 Ų | 128 | 54 Ų | 54 | 56% | 0.557 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -88.3 | -14.8 | 175.8 | -70.3 | 175.7 | 178.6 | -175.9 | 0 | 113.4 | L242 L258 E259 Q260 | L242-K262 HydrophobicContact CD2-CG 3.96Å; L258-K262 WeakPolarHBondContact O-CG 3.39Å; L258-K262 PolarHBondContact O-N 3.27Å; E259-K262 PolarHBondContact O-N 3.19Å; Q260-K262 PolarHBondContact O-N 3.28Å |
| 263 | Q | 84.8 | Confident | 87.5 | Confident | 97 Ų | 97 | 54 Ų | 54 | 45% | 0.453 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -92.7 | 133.2 | -177.7 | -70.3 | 174.4 | 2.4 | 0 | 0 | 111.2 | E259 Q260 | E259-Q263 WeakPolarHBondContact O-CG 3.39Å; E259-Q263 PolarHBondContact O-N 3.34Å; Q260-Q263 PolarHBondContact O-N 2.92Å |
| 264 | V | 83.3 | Confident | 88 | Confident | 98 Ų | 98 | 48 Ų | 48 | 59% | 0.594 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -65.8 | 126.3 | 170.6 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | S266 | V264-S266 PolarHBondContact O-N 2.92Š|
| 265 | P | 86.9 | Confident | 88.5 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 133.1 | -179.3 | 29.4 | -34.7 | 0 | 0 | 0 | 110.8 | V269 M270 L273 | P265-V269 HydrophobicContact CB-CB 4.25Å; P265-V269 HydrophobicContact CB-CG1 3.89Å; P265-M270 HydrophobicContact CB-CG 3.96Å; P265-M270 HydrophobicContact CG-CG 3.93Å; P265-L273 HydrophobicContact CB-CD1 4.28Å |
| 266 | S | 87.2 | Confident | 89.1 | Confident | 65 Ų | 65 | 43.7 Ų | 43.7 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -66.5 | 166.4 | 167.5 | 68 | 0 | 0 | 0 | 0 | 111.2 | V264 D268 V269 M270 | V264-S266 PolarHBondContact O-N 2.92Å; S266-D268 VanDerWaalsContact C-N 3.33Å; S266-D268 PolarHBondContact O-N 3.07Å; S266-V269 PolarHBondContact O-N 2.82Å; S266-V269 VanDerWaalsContact O-N 3.11Å; S266-V269 WeakPolarHBondContact OG-CG2 3.19Å; S266-V269 PolarHBondContact OG-N 2.9Å; S266-M270 PolarHBondContact O-N 3.19Å |
| 267 | V | 86.4 | Confident | 89.5 | Confident | 30 Ų | 30 | 39.5 Ų | 39.5 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.9 | -45.2 | 178.2 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | F229 V269 M270 K271 E311 | F229-V267 HydrophobicContact CZ-CG2 4.21Å; V267-V269 VanDerWaalsContact C-N 3.31Å; V267-V269 PolarHBondContact O-N 3.29Å; V267-M270 HydrophobicContact CB-CE 4.45Å; V267-M270 HydrophobicContact CG2-CE 4.11Å; V267-M270 WeakPolarHBondContact O-CB 3.32Å; V267-M270 PolarHBondContact O-N 3.06Å; V267-M270 VanDerWaalsContact O-N 3.12Å; V267-K271 WeakPolarHBondContact O-CG 3.29Å; V267-K271 PolarHBondContact O-N 3.2Å; V267-E311 HydrophobicContact CG1-CB 4.23Å |
| 268 | D | 88.8 | Confident | 89.8 | Confident | 94 Ų | 94 | 40.9 Ų | 40.9 | 50% | 0.503 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.9 | -37.7 | 176.2 | -72.1 | -35.9 | 0 | 0 | 0 | 113.5 | S266 T272 | S266-D268 VanDerWaalsContact C-N 3.33Å; S266-D268 PolarHBondContact O-N 3.07Å; D268-T272 WeakPolarHBondContact O-CB 3.37Å; D268-T272 PolarHBondContact O-N 3.38Å; D268-T272 PolarHBondContact O-OG1 3.31Å |
| 269 | V | 89.9 | Confident | 90.1 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 9% | 0.085 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.4 | -38.4 | 175.6 | 173.8 | 0 | 0 | 0 | 0 | 109.7 | P265 S266 V267 T272 L273 | P265-V269 HydrophobicContact CB-CB 4.25Å; P265-V269 HydrophobicContact CB-CG1 3.89Å; S266-V269 PolarHBondContact O-N 2.82Å; S266-V269 VanDerWaalsContact O-N 3.11Å; S266-V269 WeakPolarHBondContact OG-CG2 3.19Å; S266-V269 PolarHBondContact OG-N 2.9Å; V267-V269 VanDerWaalsContact C-N 3.31Å; V267-V269 PolarHBondContact O-N 3.29Å; V269-T272 CarbonylContact O-C 3.58Å; V269-T272 WeakPolarHBondContact O-CB 3.44Å; V269-T272 PolarHBondContact O-N 2.96Å; V269-L273 HydrophobicContact CG1-CD1 4.05Å; V269-L273 HydrophobicContact CG1-CG 4.22Å; V269-L273 WeakPolarHBondContact O-CB 3.48Å; V269-L273 VanDerWaalsContact O-CG 3.22Å; V269-L273 WeakPolarHBondContact O-CG 3.29Å; V269-L273 PolarHBondContact O-N 2.93Å |
| 270 | M | 89.6 | Confident | 90.4 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 173.1 | -73.5 | -168.5 | -77.1 | 0 | 0 | 112.6 | S227 P228 F229 P265 S266 V267 T272 L273 L274 I315 | S227-M270 VanDerWaalsContact CB-SD 3.57Å; S227-M270 PolarHBondContact OG-SD 3.26Å; P228-M270 HydrophobicContact CG-CE 3.63Å; P228-M270 HydrophobicContact CG-SD 4.41Å; F229-M270 HydrophobicContact CD2-CE 3.69Å; F229-M270 HydrophobicContact CD2-SD 3.78Å; F229-M270 HydrophobicContact CE2-CE 3.09Å; F229-M270 HydrophobicContact CE2-SD 3.72Å; F229-M270 HydrophobicContact CZ-CE 3.73Å; P265-M270 HydrophobicContact CB-CG 3.96Å; P265-M270 HydrophobicContact CG-CG 3.93Å; S266-M270 PolarHBondContact O-N 3.19Å; V267-M270 HydrophobicContact CB-CE 4.45Å; V267-M270 HydrophobicContact CG2-CE 4.11Å; V267-M270 WeakPolarHBondContact O-CB 3.32Å; V267-M270 PolarHBondContact O-N 3.06Å; V267-M270 VanDerWaalsContact O-N 3.12Å; M270-T272 VanDerWaalsContact C-N 3.25Å; M270-T272 PolarHBondContact O-N 3.37Å; M270-L273 PolarHBondContact O-N 3.48Å; M270-L273 VanDerWaalsContact O-N 3.11Å; M270-L274 WeakPolarHBondContact O-CG 3.45Å; M270-L274 PolarHBondContact O-N 2.84Å; M270-I315 HydrophobicContact CB-CD1 3.79Å |
| 271 | K | 92.5 | Very high | 90.5 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 17% | 0.165 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.6 | -44.5 | 173 | -67.6 | -177.8 | -174.3 | -178.2 | 0 | 110.6 | V267 L274 Q275 D314 I315 L318 | V267-K271 WeakPolarHBondContact O-CG 3.29Å; V267-K271 PolarHBondContact O-N 3.2Å; K271-L274 PolarHBondContact O-N 3.07Å; K271-Q275 WeakPolarHBondContact O-CB 3.48Å; K271-Q275 VanDerWaalsContact O-CG 3.25Å; K271-Q275 WeakPolarHBondContact O-CG 3.31Å; K271-Q275 PolarHBondContact O-N 3.12Å; K271-D314 HydrophobicContact CD-CB 4.41Å; K271-D314 IonicContact NZ-OD2 2.74Å; K271-D314 PolarHBondContact NZ-OD2 2.9Å; K271-I315 HydrophobicContact CG-CD1 3.61Å; K271-I315 HydrophobicContact CG-CG1 4.39Å; K271-L318 HydrophobicContact CB-CD1 3.78Å; K271-L318 HydrophobicContact CG-CD1 3.93Å |
| 272 | T | 94.4 | Very high | 90.5 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 175.4 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | L186 R194 I198 D268 V269 M270 Q275 C276 | L186-T272 HydrophobicContact CD2-CG2 4Å; R194-T272 HydrophobicContact CB-CG2 3.76Å; R194-T272 WeakPolarHBondContact CD-OG1 3.43Å; R194-T272 HydrophobicContact CG-CG2 4.23Å; R194-T272 PolarHBondContact NE-OG1 2.78Å; I198-T272 HydrophobicContact CD1-CG2 3.69Å; I198-T272 HydrophobicContact CG1-CG2 4.22Å; D268-T272 WeakPolarHBondContact O-CB 3.37Å; D268-T272 PolarHBondContact O-N 3.38Å; D268-T272 PolarHBondContact O-OG1 3.31Å; V269-T272 CarbonylContact O-C 3.58Å; V269-T272 WeakPolarHBondContact O-CB 3.44Å; V269-T272 PolarHBondContact O-N 2.96Å; M270-T272 VanDerWaalsContact C-N 3.25Å; M270-T272 PolarHBondContact O-N 3.37Å; T272-Q275 PolarHBondContact O-N 3.39Å; T272-C276 WeakPolarHBondContact O-CB 3.31Å; T272-C276 PolarHBondContact O-N 3.45Å |
| 273 | L | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | -179.9 | -70.9 | 170 | 0 | 0 | 0 | 111.3 | L186 F219 L220 R223 L224 P265 V269 M270 C276 F277 | L186-L273 HydrophobicContact CD1-CD2 4.29Å; F219-L273 HydrophobicContact CE1-CD2 4.42Å; L220-L273 HydrophobicContact CD2-CD2 3.57Å; R223-L273 HydrophobicContact CB-CD1 3.71Å; R223-L273 HydrophobicContact CB-CD2 4.42Å; L224-L273 HydrophobicContact CD2-CB 3.93Å; L224-L273 HydrophobicContact CD2-CD1 4.38Å; L224-L273 HydrophobicContact CG-CB 4.33Å; P265-L273 HydrophobicContact CB-CD1 4.28Å; V269-L273 HydrophobicContact CG1-CD1 4.05Å; V269-L273 HydrophobicContact CG1-CG 4.22Å; V269-L273 WeakPolarHBondContact O-CB 3.48Å; V269-L273 VanDerWaalsContact O-CG 3.22Å; V269-L273 WeakPolarHBondContact O-CG 3.29Å; V269-L273 PolarHBondContact O-N 2.93Å; M270-L273 PolarHBondContact O-N 3.48Å; M270-L273 VanDerWaalsContact O-N 3.11Å; L273-C276 WeakPolarHBondContact O-CB 3.47Å; L273-C276 PolarHBondContact O-N 3.38Å; L273-F277 WeakPolarHBondContact O-CB 3.22Å; L273-F277 PolarHBondContact O-N 3.27Å |
| 274 | L | 94.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | 176.2 | -70.8 | 168.7 | 0 | 0 | 0 | 112.2 | L224 M270 K271 C276 F277 N278 L298 I315 L318 V319 V322 | L224-L274 HydrophobicContact CD1-CD2 4.01Å; L224-L274 HydrophobicContact CD2-CD2 4.06Å; L224-L274 HydrophobicContact CD2-CG 4.06Å; M270-L274 WeakPolarHBondContact O-CG 3.45Å; M270-L274 PolarHBondContact O-N 2.84Å; K271-L274 PolarHBondContact O-N 3.07Å; L274-C276 VanDerWaalsContact C-N 3.33Å; L274-C276 PolarHBondContact O-N 3.06Å; L274-F277 CarbonylContact O-C 3.51Å; L274-F277 WeakPolarHBondContact O-CB 3.46Å; L274-F277 PolarHBondContact O-N 3.47Å; L274-F277 VanDerWaalsContact O-N 3.16Å; L274-N278 PolarHBondContact O-N 3.24Å; L274-L298 HydrophobicContact CD2-CD2 4.09Å; L274-I315 HydrophobicContact CD1-CD1 3.97Å; L274-I315 HydrophobicContact CD1-CG2 3.94Å; L274-L318 HydrophobicContact CB-CB 3.86Å; L274-L318 HydrophobicContact CB-CD1 4.36Å; L274-L318 HydrophobicContact CD1-CB 3.92Å; L274-V319 HydrophobicContact CD1-CG2 3.9Å; L274-V319 HydrophobicContact CD2-CG2 3.77Å; L274-V322 WeakPolarHBondContact O-CG2 3.39Å |
| 275 | Q | 95.7 | Very high | 90.6 | Very high | 69 Ų | 69 | 26.5 Ų | 26.5 | 32% | 0.322 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -60.9 | -43 | 172.3 | -72.4 | 171.9 | 2.8 | 0 | 0 | 111.3 | I198 K271 T272 F277 N278 V279 L318 | I198-Q275 HydrophobicContact CD1-CB 3.84Å; K271-Q275 WeakPolarHBondContact O-CB 3.48Å; K271-Q275 VanDerWaalsContact O-CG 3.25Å; K271-Q275 WeakPolarHBondContact O-CG 3.31Å; K271-Q275 PolarHBondContact O-N 3.12Å; T272-Q275 PolarHBondContact O-N 3.39Å; Q275-F277 VanDerWaalsContact C-N 3.34Å; Q275-N278 WeakPolarHBondContact O-CB 3.34Å; Q275-N278 PolarHBondContact O-N 2.94Å; Q275-V279 PolarHBondContact O-N 3.48Å; Q275-L318 HydrophobicContact CG-CD1 4.28Å; Q275-L318 HydrophobicContact CG-CD2 3.72Å |
| 276 | C | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 172.4 | -167.7 | 0 | 0 | 0 | 0 | 111.1 | L186 I198 L201 L220 T272 L273 L274 N278 V279 V280 | L186-C276 HydrophobicContact CD1-CB 4.49Å; L186-C276 HydrophobicContact CD2-CB 4.48Å; I198-C276 HydrophobicContact CG1-CB 3.91Å; L201-C276 VanDerWaalsContact CD1-SG 3.59Å; L220-C276 HydrophobicContact CD2-CB 4.21Å; T272-C276 WeakPolarHBondContact O-CB 3.31Å; T272-C276 PolarHBondContact O-N 3.45Å; L273-C276 WeakPolarHBondContact O-CB 3.47Å; L273-C276 PolarHBondContact O-N 3.38Å; L274-C276 VanDerWaalsContact C-N 3.33Å; L274-C276 PolarHBondContact O-N 3.06Å; C276-N278 VanDerWaalsContact C-N 3.28Å; C276-N278 PolarHBondContact O-N 3.21Å; C276-V279 PolarHBondContact O-N 2.73Å; C276-V280 WeakPolarHBondContact O-CB 3.35Å; C276-V280 VanDerWaalsContact O-CG2 3.26Å; C276-V280 WeakPolarHBondContact O-CG2 3.27Å; C276-V280 PolarHBondContact O-N 2.87Å |
| 277 | F | 93.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.009 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60 | -40.7 | 178.8 | -143.4 | -77.2 | 0 | 0 | 0 | 111 | V217 L220 L224 L273 L274 Q275 V279 V280 S281 L284 V294 V322 | V217-F277 HydrophobicContact CG1-CZ 4.2Å; L220-F277 HydrophobicContact CB-CD2 3.49Å; L220-F277 VanDerWaalsContact CB-CD2 3.49Å; L220-F277 HydrophobicContact CB-CE2 3.58Å; L220-F277 HydrophobicContact CD1-CD2 3.76Å; L220-F277 HydrophobicContact CD1-CE2 4.19Å; L220-F277 HydrophobicContact CD1-CG 4.42Å; L220-F277 HydrophobicContact CG-CD2 4.24Å; L224-F277 HydrophobicContact CD1-CD2 3.91Å; L224-F277 HydrophobicContact CD1-CE2 4.49Å; L273-F277 WeakPolarHBondContact O-CB 3.22Å; L273-F277 PolarHBondContact O-N 3.27Å; L274-F277 CarbonylContact O-C 3.51Å; L274-F277 WeakPolarHBondContact O-CB 3.46Å; L274-F277 PolarHBondContact O-N 3.47Å; L274-F277 VanDerWaalsContact O-N 3.16Å; Q275-F277 VanDerWaalsContact C-N 3.34Å; F277-V279 PolarHBondContact O-N 2.98Å; F277-V280 PolarHBondContact O-N 3.44Å; F277-S281 WeakPolarHBondContact O-CA 3.38Å; F277-S281 WeakPolarHBondContact O-CB 3.29Å; F277-S281 PolarHBondContact O-N 3.28Å; F277-S281 PolarHBondContact O-OG 3.03Å; F277-L284 HydrophobicContact CE1-CD1 4.46Å; F277-V294 HydrophobicContact CD1-CG1 4.41Å; F277-V294 HydrophobicContact CE1-CB 4.43Å; F277-V294 HydrophobicContact CE1-CG1 3.39Å; F277-V294 HydrophobicContact CE1-CG2 4.12Å; F277-V294 HydrophobicContact CZ-CB 4.27Å; F277-V294 HydrophobicContact CZ-CG1 3.65Å; F277-V294 HydrophobicContact CZ-CG2 3.53Å; F277-V322 HydrophobicContact CB-CG2 4.26Å; F277-V322 HydrophobicContact CD1-CG1 3.69Å; F277-V322 HydrophobicContact CE1-CG1 4.5Å; F277-V322 HydrophobicContact CG-CG1 4.49Å |
| 278 | N | 94.6 | Very high | 89.8 | Confident | 29 Ų | 29 | 26.9 Ų | 26.9 | 16% | 0.155 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.3 | -46.5 | 178.9 | -166.7 | 15.4 | 0 | 0 | 0 | 110.9 | L274 Q275 C276 S281 Q321 V322 T325 | L274-N278 PolarHBondContact O-N 3.24Å; Q275-N278 WeakPolarHBondContact O-CB 3.34Å; Q275-N278 PolarHBondContact O-N 2.94Å; C276-N278 VanDerWaalsContact C-N 3.28Å; C276-N278 PolarHBondContact O-N 3.21Å; N278-S281 PolarHBondContact O-OG 2.95Å; N278-Q321 PolarHBondContact OD1-O 3.43Å; N278-V322 HydrophobicContact CB-CG2 3.75Å; N278-T325 WeakPolarHBondContact OD1-CB 3.49Å; N278-T325 PolarHBondContact OD1-OG1 3.34Å |
| 279 | V | 92.7 | Very high | 89.5 | Confident | 42 Ų | 42 | 28.2 Ų | 28.2 | 26% | 0.255 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -68.1 | -44 | 178.1 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | I198 Q275 C276 F277 S281 R282 | I198-V279 HydrophobicContact CG2-CB 4.47Å; I198-V279 HydrophobicContact CG2-CG2 3.88Å; Q275-V279 PolarHBondContact O-N 3.48Å; C276-V279 PolarHBondContact O-N 2.73Å; F277-V279 PolarHBondContact O-N 2.98Å; V279-S281 VanDerWaalsContact C-N 3.33Å; V279-S281 PolarHBondContact O-N 3.06Å; V279-R282 WeakPolarHBondContact O-CB 3.45Å |
| 280 | V | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.5 | -33.3 | 179.4 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | F213 L216 V217 L220 C276 F277 R282 Q283 | F213-V280 HydrophobicContact CE2-CG1 3.64Å; F213-V280 HydrophobicContact CZ-CG1 3.95Å; L216-V280 HydrophobicContact CD2-CG1 4.15Å; L216-V280 HydrophobicContact CD2-CG2 3.82Å; L216-V280 HydrophobicContact CG-CG1 4.45Å; L216-V280 HydrophobicContact CG-CG2 4.47Å; V217-V280 HydrophobicContact CG2-CG1 4.05Å; L220-V280 HydrophobicContact CD1-CB 4.39Å; L220-V280 HydrophobicContact CD1-CG1 4.43Å; L220-V280 HydrophobicContact CD1-CG2 4.27Å; C276-V280 WeakPolarHBondContact O-CB 3.35Å; C276-V280 VanDerWaalsContact O-CG2 3.26Å; C276-V280 WeakPolarHBondContact O-CG2 3.27Å; C276-V280 PolarHBondContact O-N 2.87Å; F277-V280 PolarHBondContact O-N 3.44Å; V280-R282 PolarHBondContact O-N 3.4Å; V280-R282 VanDerWaalsContact O-N 3.16Å; V280-Q283 PolarHBondContact O-N 3.28Å |
| 281 | S | 90.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.1 | -20.1 | -176.8 | 70.7 | 0 | 0 | 0 | 0 | 113.3 | F277 N278 V279 Q283 L284 T325 | F277-S281 WeakPolarHBondContact O-CA 3.38Å; F277-S281 WeakPolarHBondContact O-CB 3.29Å; F277-S281 PolarHBondContact O-N 3.28Å; F277-S281 PolarHBondContact O-OG 3.03Å; N278-S281 PolarHBondContact O-OG 2.95Å; V279-S281 VanDerWaalsContact C-N 3.33Å; V279-S281 PolarHBondContact O-N 3.06Å; S281-Q283 PolarHBondContact O-N 3.33Å; S281-Q283 VanDerWaalsContact O-N 3.08Å; S281-L284 VanDerWaalsContact O-CB 3.25Å; S281-L284 WeakPolarHBondContact O-CB 3.35Å; S281-L284 PolarHBondContact O-N 3.13Å; S281-T325 WeakPolarHBondContact OG-CG2 3.43Å |
| 282 | R | 87 | Confident | 88.9 | Confident | 87 Ų | 87 | 28.9 Ų | 28.9 | 33% | 0.328 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -25 | 170.8 | -63.1 | -176.8 | -177.9 | -165.6 | 5.9 | 112.8 | V279 V280 T325 D1464 | V279-R282 WeakPolarHBondContact O-CB 3.45Å; V280-R282 PolarHBondContact O-N 3.4Å; V280-R282 VanDerWaalsContact O-N 3.16Å; R282-T325 HydrophobicContact CG-CG2 3.71Å; R282-D1464 IonicContact NH1-OD2 2.88Å; R282-D1464 PolarHBondContact NH1-OD2 3.16Å |
| 283 | Q | 85.6 | Confident | 88.5 | Confident | 13 Ų | 13 | 31.1 Ų | 31.1 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 11.7 | 177.4 | -66.5 | -55.4 | -52.6 | 0 | 0 | 113.2 | W206 F213 V280 S281 Q285 R286 | W206-Q283 HydrophobicContact CD2-CG 3.92Å; W206-Q283 HydrophobicContact CE3-CG 4.29Å; W206-Q283 HydrophobicContact CG-CG 4.23Å; W206-Q283 HydrophobicContact CZ2-CG 4.48Å; F213-Q283 WeakPolarHBondContact CE1-O 3.44Å; F213-Q283 HydrophobicContact CE2-CB 3.83Å; F213-Q283 HydrophobicContact CZ-CB 3.81Å; F213-Q283 VanDerWaalsContact CZ-O 3.29Å; F213-Q283 WeakPolarHBondContact CZ-O 3.35Å; V280-Q283 PolarHBondContact O-N 3.28Å; S281-Q283 PolarHBondContact O-N 3.33Å; S281-Q283 VanDerWaalsContact O-N 3.08Å; Q283-Q285 PolarHBondContact O-N 3.39Å; Q283-Q285 VanDerWaalsContact O-N 3.09Å; Q283-R286 HydrophobicContact CB-CG 4.46Å; Q283-R286 WeakPolarHBondContact O-CB 3.35Å; Q283-R286 VanDerWaalsContact O-CG 3.24Å; Q283-R286 WeakPolarHBondContact O-CG 3.46Å; Q283-R286 PolarHBondContact O-N 3.23Å |
| 284 | L | 88 | Confident | 88.4 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -60.2 | -28.3 | -171.2 | -162.1 | 64.1 | 0 | 0 | 0 | 114 | V217 F277 S281 R286 S287 I291 V294 I326 | V217-L284 HydrophobicContact CG1-CD1 3.84Å; V217-L284 HydrophobicContact CG2-CD1 3.96Å; F277-L284 HydrophobicContact CE1-CD1 4.46Å; S281-L284 VanDerWaalsContact O-CB 3.25Å; S281-L284 WeakPolarHBondContact O-CB 3.35Å; S281-L284 PolarHBondContact O-N 3.13Å; L284-R286 PolarHBondContact O-N 3.34Å; L284-S287 CarbonylContact O-C 3.58Å; L284-S287 PolarHBondContact O-N 3.45Å; L284-S287 PolarHBondContact O-OG 2.85Å; L284-I291 HydrophobicContact CD2-CB 4.49Å; L284-I291 HydrophobicContact CD2-CG1 3.93Å; L284-I291 HydrophobicContact CD2-CG2 4.48Å; L284-I291 HydrophobicContact CG-CG1 3.82Å; L284-V294 HydrophobicContact CD2-CG1 4.18Å; L284-I326 HydrophobicContact CD2-CD1 4.06Å; L284-I326 HydrophobicContact CD2-CG1 4.17Å; L284-I326 HydrophobicContact CD2-CG2 4.5Å |
| 285 | Q | 81.7 | Confident | 88.2 | Confident | 56 Ų | 56 | 31.4 Ų | 31.4 | 26% | 0.262 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -52.8 | -24.6 | 174.2 | 63.9 | -177 | -11.8 | 0 | 0 | 114 | Q283 S287 A1416 | Q283-Q285 PolarHBondContact O-N 3.39Å; Q283-Q285 VanDerWaalsContact O-N 3.09Å; Q285-S287 VanDerWaalsContact C-N 3.28Å; Q285-S287 PolarHBondContact O-N 3.08Å; Q285-A1416 VanDerWaalsContact OE1-CA 3.31Å; Q285-A1416 VanDerWaalsContact OE1-CB 3.28Å |
| 286 | R | 81.8 | Confident | 87.9 | Confident | 33 Ų | 33 | 37.2 Ų | 37.2 | 13% | 0.125 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -61.4 | -37.1 | 175 | -71.7 | -172.3 | 65.5 | -174 | -1 | 111.6 | S205 I208 Q210 F213 Q283 L284 P288 | S205-R286 PolarHBondContact O-NH1 3.41Å; I208-R286 PolarHBondContact O-NH1 3.46Å; I208-R286 PolarHBondContact O-NH2 3.33Å; Q210-R286 PolarHBondContact NE2-O 2.91Å; Q210-R286 VanDerWaalsContact OE1-CB 3.26Å; Q210-R286 VanDerWaalsContact OE1-NE 3.13Å; Q210-R286 PolarHBondContact OE1-O 2.95Å; F213-R286 HydrophobicContact CD1-CB 3.81Å; F213-R286 HydrophobicContact CE1-CB 3.79Å; Q283-R286 HydrophobicContact CB-CG 4.46Å; Q283-R286 WeakPolarHBondContact O-CB 3.35Å; Q283-R286 VanDerWaalsContact O-CG 3.24Å; Q283-R286 WeakPolarHBondContact O-CG 3.46Å; Q283-R286 PolarHBondContact O-N 3.23Å; L284-R286 PolarHBondContact O-N 3.34Å; R286-P288 VanDerWaalsContact C-CD 3.41Å; R286-P288 WeakPolarHBondContact O-CD 3.23Å |
| 287 | S | 82.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -113.1 | 70.3 | 179.1 | 54.1 | 0 | 0 | 0 | 0 | 110.9 | F213 L284 Q285 H289 C290 | F213-S287 WeakPolarHBondContact CE1-OG 3.43Å; L284-S287 CarbonylContact O-C 3.58Å; L284-S287 PolarHBondContact O-N 3.45Å; L284-S287 PolarHBondContact O-OG 2.85Å; Q285-S287 VanDerWaalsContact C-N 3.28Å; Q285-S287 PolarHBondContact O-N 3.08Å; S287-H289 PolarHBondContact O-N 2.67Å; S287-C290 PolarHBondContact O-N 3.19Å |
| 288 | P | 79 | Confident | 87.5 | Confident | 77 Ų | 77 | 37.9 Ų | 37.9 | 50% | 0.5 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.5 | -31 | -171.3 | 26 | -34.7 | 0 | 0 | 0 | 113 | R286 C290 I291 | R286-P288 VanDerWaalsContact C-CD 3.41Å; R286-P288 WeakPolarHBondContact O-CD 3.23Å; P288-C290 PolarHBondContact O-N 3.28Å; P288-I291 HydrophobicContact CB-CD1 4.37Å; P288-I291 PolarHBondContact O-N 3.43Å |
| 289 | H | 82.6 | Confident | 87.3 | Confident | 121 Ų | 121 | 36.9 Ų | 36.9 | 56% | 0.56 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -61.5 | -24.7 | 176.6 | 54.9 | -72.6 | 0 | 0 | 0 | 113.7 | S214 S287 | S214-H289 PolarHBondContact OG-NE2 3.15Å; S287-H289 PolarHBondContact O-N 2.67Å |
| 290 | C | 85.8 | Confident | 87 | Confident | 8 Ų | 8 | 37.1 Ų | 37.1 | 5% | 0.054 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -86.3 | -22.2 | 178.3 | -63.8 | 0 | 0 | 0 | 0 | 113 | V217 S287 P288 A292 S293 V294 | V217-C290 HydrophobicContact CG1-CB 3.76Å; S287-C290 PolarHBondContact O-N 3.19Å; P288-C290 PolarHBondContact O-N 3.28Å; C290-A292 PolarHBondContact O-N 2.97Å; C290-S293 PolarHBondContact O-N 2.75Å; C290-V294 HydrophobicContact CB-CG2 4.45Å; C290-V294 WeakPolarHBondContact O-CB 3.24Å; C290-V294 VanDerWaalsContact O-CG2 3.24Å; C290-V294 WeakPolarHBondContact O-CG2 3.24Å; C290-V294 PolarHBondContact O-N 3.35Å |
| 291 | I | 86.5 | Confident | 86.7 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | -168.2 | -62.7 | 170.4 | 0 | 0 | 0 | 111.7 | L284 P288 S293 V294 L295 V333 | L284-I291 HydrophobicContact CD2-CB 4.49Å; L284-I291 HydrophobicContact CD2-CG1 3.93Å; L284-I291 HydrophobicContact CD2-CG2 4.48Å; L284-I291 HydrophobicContact CG-CG1 3.82Å; P288-I291 HydrophobicContact CB-CD1 4.37Å; P288-I291 PolarHBondContact O-N 3.43Å; I291-S293 VanDerWaalsContact C-N 3.35Å; I291-S293 PolarHBondContact O-N 2.86Å; I291-V294 PolarHBondContact O-N 3.02Å; I291-L295 VanDerWaalsContact O-CB 3.3Å; I291-L295 WeakPolarHBondContact O-CB 3.29Å; I291-L295 PolarHBondContact O-N 3.12Å; I291-V333 HydrophobicContact CB-CG1 3.92Å; I291-V333 HydrophobicContact CD1-CB 4.39Å; I291-V333 HydrophobicContact CD1-CG1 4.42Å; I291-V333 HydrophobicContact CD1-CG2 3.94Å; I291-V333 HydrophobicContact CG2-CB 3.96Å; I291-V333 HydrophobicContact CG2-CG1 3.43Å; I291-V333 VanDerWaalsContact CG2-CG1 3.43Å |
| 292 | A | 87.4 | Confident | 86.6 | Confident | 58 Ų | 58 | 37.2 Ų | 37.2 | 48% | 0.479 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.9 | -41.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C290 L295 R296 | C290-A292 PolarHBondContact O-N 2.97Å; A292-L295 PolarHBondContact O-N 3.13Å; A292-R296 WeakPolarHBondContact O-CB 2.99Å; A292-R296 PolarHBondContact O-N 2.97Å |
| 293 | S | 87.3 | Confident | 86.5 | Confident | 56 Ų | 56 | 37 Ų | 37 | 39% | 0.392 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.9 | -41.4 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | C290 I291 L297 | C290-S293 PolarHBondContact O-N 2.75Å; I291-S293 VanDerWaalsContact C-N 3.35Å; I291-S293 PolarHBondContact O-N 2.86Å; S293-L297 WeakPolarHBondContact O-CB 3.46Å; S293-L297 PolarHBondContact O-N 2.93Å |
| 294 | V | 90.4 | Very high | 85.9 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -49.5 | 174.9 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | V217 L221 F277 L284 C290 I291 R296 L297 L298 I326 | V217-V294 HydrophobicContact CG1-CG2 4.29Å; L221-V294 HydrophobicContact CD1-CB 4.47Å; L221-V294 HydrophobicContact CD1-CG2 3.85Å; F277-V294 HydrophobicContact CD1-CG1 4.41Å; F277-V294 HydrophobicContact CE1-CB 4.43Å; F277-V294 HydrophobicContact CE1-CG1 3.39Å; F277-V294 HydrophobicContact CE1-CG2 4.12Å; F277-V294 HydrophobicContact CZ-CB 4.27Å; F277-V294 HydrophobicContact CZ-CG1 3.65Å; F277-V294 HydrophobicContact CZ-CG2 3.53Å; L284-V294 HydrophobicContact CD2-CG1 4.18Å; C290-V294 HydrophobicContact CB-CG2 4.45Å; C290-V294 WeakPolarHBondContact O-CB 3.24Å; C290-V294 VanDerWaalsContact O-CG2 3.24Å; C290-V294 WeakPolarHBondContact O-CG2 3.24Å; C290-V294 PolarHBondContact O-N 3.35Å; I291-V294 PolarHBondContact O-N 3.02Å; V294-R296 PolarHBondContact O-N 2.88Å; V294-L297 PolarHBondContact O-N 2.64Å; V294-L298 HydrophobicContact CG1-CD1 3.76Å; V294-L298 HydrophobicContact CG1-CG 4.29Å; V294-L298 VanDerWaalsContact O-CG 3.31Å; V294-L298 WeakPolarHBondContact O-CG 3.02Å; V294-L298 PolarHBondContact O-N 3.48Å; V294-I326 HydrophobicContact CG1-CD1 3.96Å |
| 295 | L | 90.8 | Very high | 84.7 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | -178.5 | -174.8 | 61.7 | 0 | 0 | 0 | 110.9 | I291 A292 L297 L298 I299 L323 I334 L341 | I291-L295 VanDerWaalsContact O-CB 3.3Å; I291-L295 WeakPolarHBondContact O-CB 3.29Å; I291-L295 PolarHBondContact O-N 3.12Å; A292-L295 PolarHBondContact O-N 3.13Å; L295-L297 VanDerWaalsContact C-N 3.32Å; L295-L297 PolarHBondContact O-N 2.65Å; L295-L298 PolarHBondContact O-N 3.1Å; L295-I299 HydrophobicContact CD1-CD1 4.09Å; L295-I299 HydrophobicContact CD1-CG1 4.43Å; L295-I299 HydrophobicContact CG-CD1 3.86Å; L295-I299 WeakPolarHBondContact O-CB 3.42Å; L295-I299 VanDerWaalsContact O-CG1 3.24Å; L295-I299 WeakPolarHBondContact O-CG1 3.35Å; L295-I299 PolarHBondContact O-N 3.05Å; L295-L323 HydrophobicContact CD1-CD2 3.61Å; L295-I334 HydrophobicContact CD2-CG1 4.37Å; L295-L341 HydrophobicContact CD1-CD1 4.24Å; L295-L341 HydrophobicContact CD1-CD2 4.12Å |
| 296 | R | 89.3 | Confident | 83.6 | Confident | 190 Ų | 190 | 41.7 Ų | 41.7 | 72% | 0.717 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -59.7 | -42.7 | 176.5 | -171.3 | -175.8 | -62.4 | 166.2 | 0.8 | 112.1 | A292 V294 S300 | A292-R296 WeakPolarHBondContact O-CB 2.99Å; A292-R296 PolarHBondContact O-N 2.97Å; V294-R296 PolarHBondContact O-N 2.88Å; R296-S300 WeakPolarHBondContact O-CB 3.25Å; R296-S300 PolarHBondContact O-N 3.36Å; R296-S300 PolarHBondContact O-OG 3.46Å |
| 297 | L | 89.2 | Confident | 82.4 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 8% | 0.079 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -50.7 | 177.6 | -176.3 | 66.4 | 0 | 0 | 0 | 111.1 | L221 L224 Q225 L230 S293 V294 L295 I299 S300 I301 | L221-L297 HydrophobicContact CD1-CB 4.22Å; L221-L297 HydrophobicContact CD1-CD2 3.52Å; L221-L297 HydrophobicContact CG-CD2 4.39Å; L224-L297 HydrophobicContact CB-CD2 3.77Å; Q225-L297 HydrophobicContact CG-CD1 3.76Å; Q225-L297 HydrophobicContact CG-CD2 3.88Å; Q225-L297 HydrophobicContact CG-CG 4.46Å; L230-L297 HydrophobicContact CD1-CD1 3.46Å; L230-L297 VanDerWaalsContact CD1-CD1 3.46Å; L230-L297 HydrophobicContact CD2-CD1 4.27Å; S293-L297 WeakPolarHBondContact O-CB 3.46Å; S293-L297 PolarHBondContact O-N 2.93Å; V294-L297 PolarHBondContact O-N 2.64Å; L295-L297 VanDerWaalsContact C-N 3.32Å; L295-L297 PolarHBondContact O-N 2.65Å; L297-I299 VanDerWaalsContact C-N 3.34Å; L297-I299 PolarHBondContact O-N 3.16Å; L297-S300 WeakPolarHBondContact CA-OG 3.35Å; L297-S300 PolarHBondContact O-N 3.29Å; L297-S300 VanDerWaalsContact O-N 3.12Å; L297-S300 PolarHBondContact O-OG 2.71Å; L297-I301 HydrophobicContact CD1-CD1 4.41Å; L297-I301 HydrophobicContact CG-CD1 4.03Å; L297-I301 WeakPolarHBondContact O-CG1 3.37Å; L297-I301 PolarHBondContact O-N 3.04Å |
| 298 | L | 92 | Very high | 81.4 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.7 | -43.2 | -179.9 | -68.3 | 174.6 | 0 | 0 | 0 | 111.6 | L274 V294 L295 S300 I301 A302 V319 V322 L323 I326 | L274-L298 HydrophobicContact CD2-CD2 4.09Å; V294-L298 HydrophobicContact CG1-CD1 3.76Å; V294-L298 HydrophobicContact CG1-CG 4.29Å; V294-L298 VanDerWaalsContact O-CG 3.31Å; V294-L298 WeakPolarHBondContact O-CG 3.02Å; V294-L298 PolarHBondContact O-N 3.48Å; L295-L298 PolarHBondContact O-N 3.1Å; L298-S300 VanDerWaalsContact C-N 3.34Å; L298-S300 PolarHBondContact O-N 3.12Å; L298-I301 PolarHBondContact O-N 3.44Å; L298-A302 WeakPolarHBondContact O-CB 3.45Å; L298-A302 PolarHBondContact O-N 3.46Å; L298-V319 HydrophobicContact CB-CG1 4Å; L298-V319 HydrophobicContact CD2-CG1 4.11Å; L298-V319 HydrophobicContact CD2-CG2 4.26Å; L298-V319 VanDerWaalsContact O-CG1 3.31Å; L298-V319 WeakPolarHBondContact O-CG1 3.45Å; L298-V322 HydrophobicContact CD1-CB 4.21Å; L298-V322 HydrophobicContact CD1-CG1 3.53Å; L298-V322 HydrophobicContact CD2-CG1 4.4Å; L298-L323 HydrophobicContact CB-CD2 3.85Å; L298-L323 HydrophobicContact CB-CG 4.27Å; L298-L323 HydrophobicContact CD1-CD2 3.94Å; L298-L323 HydrophobicContact CD1-CG 4.41Å; L298-I326 HydrophobicContact CD1-CD1 3.67Å |
| 299 | I | 90.3 | Very high | 81.1 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 174.2 | -69.2 | 169.8 | 0 | 0 | 0 | 110.6 | L295 L297 I301 A302 Y303 L341 L344 | L295-I299 HydrophobicContact CD1-CD1 4.09Å; L295-I299 HydrophobicContact CD1-CG1 4.43Å; L295-I299 HydrophobicContact CG-CD1 3.86Å; L295-I299 WeakPolarHBondContact O-CB 3.42Å; L295-I299 VanDerWaalsContact O-CG1 3.24Å; L295-I299 WeakPolarHBondContact O-CG1 3.35Å; L295-I299 PolarHBondContact O-N 3.05Å; L297-I299 VanDerWaalsContact C-N 3.34Å; L297-I299 PolarHBondContact O-N 3.16Å; I299-I301 PolarHBondContact O-N 3.48Å; I299-A302 PolarHBondContact O-N 2.93Å; I299-Y303 HydrophobicContact CG2-CD2 3.66Å; I299-Y303 HydrophobicContact CG2-CE2 3.51Å; I299-Y303 VanDerWaalsContact O-CD2 3.3Å; I299-Y303 WeakPolarHBondContact O-CD2 3.46Å; I299-Y303 PolarHBondContact O-N 3.18Å; I299-Y303 VanDerWaalsContact O-N 3.08Å; I299-L341 HydrophobicContact CD1-CD2 3.83Å; I299-L341 HydrophobicContact CD1-CG 4.4Å; I299-L341 HydrophobicContact CG1-CD2 3.87Å; I299-L344 HydrophobicContact CG1-CD2 4.22Å; I299-L344 HydrophobicContact CG2-CD2 4.45Å |
| 300 | S | 87 | Confident | 80.7 | Confident | 47 Ų | 47 | 46.4 Ų | 46.4 | 33% | 0.329 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 178.6 | 66.1 | 0 | 0 | 0 | 0 | 113.6 | L230 R296 L297 L298 Y303 S304 | L230-S300 VanDerWaalsContact CD2-OG 3.29Å; L230-S300 WeakPolarHBondContact CD2-OG 3.46Å; R296-S300 WeakPolarHBondContact O-CB 3.25Å; R296-S300 PolarHBondContact O-N 3.36Å; R296-S300 PolarHBondContact O-OG 3.46Å; L297-S300 WeakPolarHBondContact CA-OG 3.35Å; L297-S300 PolarHBondContact O-N 3.29Å; L297-S300 VanDerWaalsContact O-N 3.12Å; L297-S300 PolarHBondContact O-OG 2.71Å; L298-S300 VanDerWaalsContact C-N 3.34Å; L298-S300 PolarHBondContact O-N 3.12Å; S300-Y303 PolarHBondContact O-N 3.42Å; S300-S304 PolarHBondContact O-N 2.87Å |
| 301 | I | 87 | Confident | 80.3 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 175.3 | -61.9 | 169.3 | 0 | 0 | 0 | 110.1 | L230 L297 L298 I299 Y303 S304 I315 V319 | L230-I301 HydrophobicContact CD1-CG1 4.27Å; L230-I301 HydrophobicContact CD2-CG1 3.64Å; L230-I301 HydrophobicContact CG-CG1 4.06Å; L297-I301 HydrophobicContact CD1-CD1 4.41Å; L297-I301 HydrophobicContact CG-CD1 4.03Å; L297-I301 WeakPolarHBondContact O-CG1 3.37Å; L297-I301 PolarHBondContact O-N 3.04Å; L298-I301 PolarHBondContact O-N 3.44Å; I299-I301 PolarHBondContact O-N 3.48Å; I301-Y303 VanDerWaalsContact C-N 3.31Å; I301-Y303 PolarHBondContact O-N 3.12Å; I301-S304 PolarHBondContact O-N 2.85Å; I301-S304 PolarHBondContact O-OG 2.98Å; I301-I315 HydrophobicContact CG2-CG2 3.99Å; I301-V319 HydrophobicContact CB-CG2 4.22Å; I301-V319 HydrophobicContact CG2-CG2 3.77Å |
| 302 | A | 87.7 | Confident | 80 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -34.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L298 I299 V319 L344 | L298-A302 WeakPolarHBondContact O-CB 3.45Å; L298-A302 PolarHBondContact O-N 3.46Å; I299-A302 PolarHBondContact O-N 2.93Å; A302-V319 HydrophobicContact CB-CG1 4.06Å; A302-L344 HydrophobicContact CB-CD1 3.83Å; A302-L344 HydrophobicContact CB-CD2 3.86Å; A302-L344 HydrophobicContact CB-CG 4.37Å |
| 303 | Y | 83.7 | Confident | 80 | Confident | 83 Ų | 83 | 48.2 Ų | 48.2 | 33% | 0.325 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -79.9 | -25.8 | 176.8 | -80.3 | -60.6 | 0 | 0 | 0 | 114.7 | I299 S300 I301 S305 L344 | I299-Y303 HydrophobicContact CG2-CD2 3.66Å; I299-Y303 HydrophobicContact CG2-CE2 3.51Å; I299-Y303 VanDerWaalsContact O-CD2 3.3Å; I299-Y303 WeakPolarHBondContact O-CD2 3.46Å; I299-Y303 PolarHBondContact O-N 3.18Å; I299-Y303 VanDerWaalsContact O-N 3.08Å; S300-Y303 PolarHBondContact O-N 3.42Å; I301-Y303 VanDerWaalsContact C-N 3.31Å; I301-Y303 PolarHBondContact O-N 3.12Å; Y303-S305 PolarHBondContact O-N 2.8Å; Y303-S305 VanDerWaalsContact O-N 3.09Å; Y303-L344 HydrophobicContact CD1-CD1 4.01Å; Y303-L344 HydrophobicContact CD2-CD1 4.26Å; Y303-L344 HydrophobicContact CE1-CD1 3.78Å; Y303-L344 HydrophobicContact CE2-CD1 4.06Å; Y303-L344 HydrophobicContact CG-CD1 4.24Å |
| 304 | S | 73.3 | Confident | 80.1 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 34% | 0.336 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -71.4 | -3.6 | -176.1 | 67.3 | 0 | 0 | 0 | 0 | 114.3 | F229 S300 I301 N306 | F229-S304 WeakPolarHBondContact O-CB 3.46Å; F229-S304 PolarHBondContact O-OG 3.16Å; S300-S304 PolarHBondContact O-N 2.87Å; I301-S304 PolarHBondContact O-N 2.85Å; I301-S304 PolarHBondContact O-OG 2.98Å; S304-N306 PolarHBondContact O-N 3.49Å |
| 305 | S | 64.3 | Low | 80.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -81.7 | 20.3 | -169.8 | -171.2 | 0 | 0 | 0 | 0 | 117 | Y303 T307 Q312 V316 | Y303-S305 PolarHBondContact O-N 2.8Å; Y303-S305 VanDerWaalsContact O-N 3.09Å; S305-T307 PolarHBondContact O-N 3.39Å; S305-Q312 WeakPolarHBondContact OG-CG 3.37Å; S305-V316 VanDerWaalsContact CB-CG2 3.44Å; S305-V316 VanDerWaalsContact OG-CG2 3.29Å; S305-V316 WeakPolarHBondContact OG-CG2 3.38Å | ||
| 306 | N | 58.2 | Low | 80.1 | Confident | 118 Ų | 118 | 46.9 Ų | 46.9 | 63% | 0.631 | 24% | 0.242 | S | C | * | . | trans | -76.2 | 25.1 | -173.9 | -79.3 | -3.3 | 0 | 0 | 0 | 115.2 | S304 R348 | S304-N306 PolarHBondContact O-N 3.49Å; N306-R348 PolarHBondContact OD1-NH2 2.87Å; N306-R348 VanDerWaalsContact OD1-NH2 3.16Å | ||
| 307 | T | 55.7 | Low | 80.3 | Confident | 89 Ų | 89 | 38.7 Ų | 38.7 | 55% | 0.546 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -120.5 | 128.4 | 175.8 | 51.2 | 0 | 0 | 0 | 0 | 109 | S305 N309 | S305-T307 PolarHBondContact O-N 3.39Å; T307-N309 PolarHBondContact O-N 3.08Å |
| 308 | N | 61.3 | Low | 80.5 | Confident | 120 Ų | 120 | 38.6 Ų | 38.6 | 64% | 0.642 | 21% | 0.211 | S | C | * | . | trans | -61.9 | 63.1 | 177.7 | -65.9 | 2 | 0 | 0 | 0 | 112.8 | ||||
| 309 | N | 72.9 | Confident | 80.6 | Confident | 60 Ų | 60 | 38.5 Ų | 38.5 | 32% | 0.321 | 21% | 0.21 | S | C | . | . | trans | -113.9 | 116.4 | 178.9 | -177.8 | -6.6 | 0 | 0 | 0 | 108.8 | T307 E311 Q312 D313 | T307-N309 PolarHBondContact O-N 3.08Å; N309-E311 PolarHBondContact O-N 3.47Å; N309-E311 VanDerWaalsContact O-N 3.16Å; N309-E311 WeakPolarHBondContact OD1-CB 3.35Å; N309-E311 PolarHBondContact OD1-N 3.05Å; N309-E311 VanDerWaalsContact OD1-N 3.12Å; N309-Q312 HydrophobicContact CB-CB 4.11Å; N309-Q312 WeakPolarHBondContact O-CA 3.28Å; N309-Q312 VanDerWaalsContact O-CB 3.32Å; N309-Q312 WeakPolarHBondContact O-CB 3.4Å; N309-Q312 PolarHBondContact O-N 2.99Å; N309-D313 PolarHBondContact O-N 2.99Å | ||
| 310 | P | 74.6 | Confident | 80.9 | Confident | 62 Ų | 62 | 38.1 Ų | 38.1 | 40% | 0.403 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.9 | -29.5 | -177.9 | 24.6 | -34.9 | 0 | 0 | 0 | 112.9 | Q312 D313 D314 | P310-Q312 VanDerWaalsContact C-N 3.28Å; P310-Q312 PolarHBondContact O-N 3.05Å; P310-D313 PolarHBondContact O-N 3.28Å; P310-D314 PolarHBondContact O-N 3.48Å |
| 311 | E | 76.5 | Confident | 81.3 | Confident | 93 Ų | 93 | 38.4 Ų | 38.4 | 44% | 0.435 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.5 | -33.4 | 175.3 | -66.7 | -170.4 | 159.7 | 0 | 0 | 112.7 | V267 N309 I315 | V267-E311 HydrophobicContact CG1-CB 4.23Å; N309-E311 PolarHBondContact O-N 3.47Å; N309-E311 VanDerWaalsContact O-N 3.16Å; N309-E311 WeakPolarHBondContact OD1-CB 3.35Å; N309-E311 PolarHBondContact OD1-N 3.05Å; N309-E311 VanDerWaalsContact OD1-N 3.12Å; E311-I315 WeakPolarHBondContact O-CG1 3.42Å; E311-I315 PolarHBondContact O-N 3.31Å |
| 312 | Q | 81.6 | Confident | 81.7 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 2% | 0.023 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.2 | -37.7 | 177.8 | -175.7 | 67.2 | 7.5 | 0 | 0 | 110.8 | S305 N309 P310 D314 I315 V316 | S305-Q312 WeakPolarHBondContact OG-CG 3.37Å; N309-Q312 HydrophobicContact CB-CB 4.11Å; N309-Q312 WeakPolarHBondContact O-CA 3.28Å; N309-Q312 VanDerWaalsContact O-CB 3.32Å; N309-Q312 WeakPolarHBondContact O-CB 3.4Å; N309-Q312 PolarHBondContact O-N 2.99Å; P310-Q312 VanDerWaalsContact C-N 3.28Å; P310-Q312 PolarHBondContact O-N 3.05Å; Q312-D314 PolarHBondContact O-N 3.23Å; Q312-I315 WeakPolarHBondContact O-CA 3.24Å; Q312-I315 WeakPolarHBondContact O-CB 3.49Å; Q312-I315 PolarHBondContact O-N 3.17Å; Q312-V316 WeakPolarHBondContact O-CG2 3.41Å; Q312-V316 PolarHBondContact O-N 3.13Å |
| 313 | D | 87.3 | Confident | 82 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62 | -43 | 177.6 | -70.7 | -13.6 | 0 | 0 | 0 | 111.8 | N309 P310 I315 V316 E317 Y351 S400 V403 | N309-D313 PolarHBondContact O-N 2.99Å; P310-D313 PolarHBondContact O-N 3.28Å; D313-I315 VanDerWaalsContact C-N 3.26Å; D313-I315 PolarHBondContact O-N 3.04Å; D313-V316 PolarHBondContact O-N 3.34Å; D313-E317 PolarHBondContact O-N 3.01Å; D313-Y351 WeakPolarHBondContact OD1-CE1 3.45Å; D313-Y351 PolarHBondContact OD1-OH 3.4Å; D313-S400 WeakPolarHBondContact OD2-CA 3.43Å; D313-S400 WeakPolarHBondContact OD2-CB 3.41Å; D313-V403 HydrophobicContact CB-CG2 3.96Å; D313-V403 VanDerWaalsContact O-CG2 3.23Å; D313-V403 WeakPolarHBondContact O-CG2 3.33Å |
| 314 | D | 88.8 | Confident | 82.5 | Confident | 33 Ų | 33 | 35.3 Ų | 35.3 | 18% | 0.176 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.7 | -37.6 | 172.5 | -88.5 | -22 | 0 | 0 | 0 | 112 | K271 P310 Q312 L318 V399 K402 | K271-D314 HydrophobicContact CD-CB 4.41Å; K271-D314 IonicContact NZ-OD2 2.74Å; K271-D314 PolarHBondContact NZ-OD2 2.9Å; P310-D314 PolarHBondContact O-N 3.48Å; Q312-D314 PolarHBondContact O-N 3.23Å; D314-L318 VanDerWaalsContact O-CG 3.3Å; D314-L318 WeakPolarHBondContact O-CG 3.46Å; D314-L318 PolarHBondContact O-N 3.38Å; D314-V399 WeakPolarHBondContact OD1-CG1 3.41Å; D314-K402 IonicContact OD1-NZ 3.29Å; D314-K402 PolarHBondContact OD1-NZ 3.43Å |
| 315 | I | 90.1 | Very high | 83.4 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.9 | -45 | 177.8 | -69.4 | -74.4 | 0 | 0 | 0 | 110.4 | F229 M270 K271 L274 I301 E311 Q312 D313 L318 V319 | F229-I315 HydrophobicContact CD2-CG2 4.24Å; F229-I315 HydrophobicContact CE2-CB 4.38Å; F229-I315 HydrophobicContact CE2-CD1 4.27Å; F229-I315 HydrophobicContact CE2-CG1 3.82Å; F229-I315 HydrophobicContact CE2-CG2 4.14Å; F229-I315 HydrophobicContact CZ-CG1 4.33Å; M270-I315 HydrophobicContact CB-CD1 3.79Å; K271-I315 HydrophobicContact CG-CD1 3.61Å; K271-I315 HydrophobicContact CG-CG1 4.39Å; L274-I315 HydrophobicContact CD1-CD1 3.97Å; L274-I315 HydrophobicContact CD1-CG2 3.94Å; I301-I315 HydrophobicContact CG2-CG2 3.99Å; E311-I315 WeakPolarHBondContact O-CG1 3.42Å; E311-I315 PolarHBondContact O-N 3.31Å; Q312-I315 WeakPolarHBondContact O-CA 3.24Å; Q312-I315 WeakPolarHBondContact O-CB 3.49Å; Q312-I315 PolarHBondContact O-N 3.17Å; D313-I315 VanDerWaalsContact C-N 3.26Å; D313-I315 PolarHBondContact O-N 3.04Å; I315-L318 PolarHBondContact O-N 3.05Å; I315-V319 WeakPolarHBondContact O-CG2 3.49Å; I315-V319 PolarHBondContact O-N 2.88Å |
| 316 | V | 90.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 177.3 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | S305 Q312 D313 L318 V319 I320 V403 | S305-V316 VanDerWaalsContact CB-CG2 3.44Å; S305-V316 VanDerWaalsContact OG-CG2 3.29Å; S305-V316 WeakPolarHBondContact OG-CG2 3.38Å; Q312-V316 WeakPolarHBondContact O-CG2 3.41Å; Q312-V316 PolarHBondContact O-N 3.13Å; D313-V316 PolarHBondContact O-N 3.34Å; V316-L318 VanDerWaalsContact C-N 3.31Å; V316-L318 PolarHBondContact O-N 3.49Å; V316-V319 PolarHBondContact O-N 3.02Å; V316-I320 HydrophobicContact CG1-CD1 3.85Å; V316-I320 HydrophobicContact CG1-CG1 4.3Å; V316-I320 WeakPolarHBondContact O-CG1 3.17Å; V316-I320 PolarHBondContact O-N 3.37Å; V316-V403 HydrophobicContact CB-CG2 4.18Å; V316-V403 HydrophobicContact CG1-CG1 3.72Å; V316-V403 HydrophobicContact CG1-CG2 4.23Å |
| 317 | E | 92.8 | Very high | 86.2 | Confident | 17 Ų | 17 | 28.4 Ų | 28.4 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -53.2 | -52 | 173.3 | -176.2 | -159.3 | -176.2 | 0 | 0 | 110.1 | D313 V319 I320 Q321 K402 V403 R405 A406 | D313-E317 PolarHBondContact O-N 3.01Å; E317-V319 VanDerWaalsContact C-N 3.34Å; E317-V319 PolarHBondContact O-N 3.24Å; E317-I320 PolarHBondContact O-N 3.16Å; E317-Q321 WeakPolarHBondContact O-CG 3.12Å; E317-Q321 PolarHBondContact O-N 3.28Å; E317-Q321 PolarHBondContact OE1-NE2 3.1Å; E317-K402 HydrophobicContact CB-CB 4.34Å; E317-K402 HydrophobicContact CG-CB 3.95Å; E317-K402 VanDerWaalsContact OE2-CD 3.23Å; E317-K402 WeakPolarHBondContact OE2-CD 3.4Å; E317-V403 HydrophobicContact CB-CG2 4.46Å; E317-R405 IonicContact OE1-NH2 2.62Å; E317-R405 PolarHBondContact OE1-NH2 3.46Å; E317-A406 HydrophobicContact CG-CB 4.06Å |
| 318 | L | 94.3 | Very high | 87.6 | Confident | 13 Ų | 13 | 27.4 Ų | 27.4 | 7% | 0.068 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -38.3 | -179.4 | -70.6 | 172.5 | 0 | 0 | 0 | 112.2 | K271 L274 Q275 D314 I315 V316 Q321 V322 | K271-L318 HydrophobicContact CB-CD1 3.78Å; K271-L318 HydrophobicContact CG-CD1 3.93Å; L274-L318 HydrophobicContact CB-CB 3.86Å; L274-L318 HydrophobicContact CB-CD1 4.36Å; L274-L318 HydrophobicContact CD1-CB 3.92Å; Q275-L318 HydrophobicContact CG-CD1 4.28Å; Q275-L318 HydrophobicContact CG-CD2 3.72Å; D314-L318 VanDerWaalsContact O-CG 3.3Å; D314-L318 WeakPolarHBondContact O-CG 3.46Å; D314-L318 PolarHBondContact O-N 3.38Å; I315-L318 PolarHBondContact O-N 3.05Å; V316-L318 VanDerWaalsContact C-N 3.31Å; V316-L318 PolarHBondContact O-N 3.49Å; L318-Q321 PolarHBondContact O-N 2.98Å; L318-V322 VanDerWaalsContact O-CG2 3.26Å; L318-V322 WeakPolarHBondContact O-CG2 3.19Å; L318-V322 PolarHBondContact O-N 2.91Å |
| 319 | V | 94.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 173.4 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | L274 L298 I301 A302 I315 V316 E317 Q321 V322 L323 | L274-V319 HydrophobicContact CD1-CG2 3.9Å; L274-V319 HydrophobicContact CD2-CG2 3.77Å; L298-V319 HydrophobicContact CB-CG1 4Å; L298-V319 HydrophobicContact CD2-CG1 4.11Å; L298-V319 HydrophobicContact CD2-CG2 4.26Å; L298-V319 VanDerWaalsContact O-CG1 3.31Å; L298-V319 WeakPolarHBondContact O-CG1 3.45Å; I301-V319 HydrophobicContact CB-CG2 4.22Å; I301-V319 HydrophobicContact CG2-CG2 3.77Å; A302-V319 HydrophobicContact CB-CG1 4.06Å; I315-V319 WeakPolarHBondContact O-CG2 3.49Å; I315-V319 PolarHBondContact O-N 2.88Å; V316-V319 PolarHBondContact O-N 3.02Å; E317-V319 VanDerWaalsContact C-N 3.34Å; E317-V319 PolarHBondContact O-N 3.24Å; V319-Q321 VanDerWaalsContact C-N 3.33Å; V319-Q321 PolarHBondContact O-N 3.43Å; V319-V322 WeakPolarHBondContact O-CB 3.48Å; V319-V322 PolarHBondContact O-N 3.26Å; V319-L323 HydrophobicContact CG1-CD1 4.22Å; V319-L323 HydrophobicContact CG1-CG 4.49Å; V319-L323 WeakPolarHBondContact O-CG 3.33Å; V319-L323 PolarHBondContact O-N 2.89Å |
| 320 | I | 95.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 178.4 | -65.4 | 170.8 | 0 | 0 | 0 | 111 | V316 E317 V322 L323 E324 L345 R348 V403 A406 A407 A410 | V316-I320 HydrophobicContact CG1-CD1 3.85Å; V316-I320 HydrophobicContact CG1-CG1 4.3Å; V316-I320 WeakPolarHBondContact O-CG1 3.17Å; V316-I320 PolarHBondContact O-N 3.37Å; E317-I320 PolarHBondContact O-N 3.16Å; I320-V322 VanDerWaalsContact C-N 3.31Å; I320-V322 PolarHBondContact O-N 3.05Å; I320-L323 CarbonylContact O-C 3.34Å; I320-L323 WeakPolarHBondContact O-CB 3.41Å; I320-L323 PolarHBondContact O-N 3.41Å; I320-E324 PolarHBondContact O-N 3.42Å; I320-L345 HydrophobicContact CG1-CD2 4.39Å; I320-L345 HydrophobicContact CG2-CD2 3.84Å; I320-R348 HydrophobicContact CD1-CB 3.98Å; I320-R348 HydrophobicContact CD1-CG 4.19Å; I320-V403 HydrophobicContact CD1-CG1 3.91Å; I320-A406 HydrophobicContact CB-CB 3.96Å; I320-A406 VanDerWaalsContact CG2-C 3.42Å; I320-A406 HydrophobicContact CG2-CB 3.69Å; I320-A406 WeakPolarHBondContact CG2-O 3.42Å; I320-A407 HydrophobicContact CD1-CB 4.37Å; I320-A410 HydrophobicContact CG2-CB 3.83Å |
| 321 | Q | 95.9 | Very high | 89.2 | Confident | 52 Ų | 52 | 19.1 Ų | 19.1 | 24% | 0.243 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62 | -38.9 | 173.8 | -70.6 | 177 | 15.7 | 0 | 0 | 112.3 | N278 E317 L318 V319 E324 T325 | N278-Q321 PolarHBondContact OD1-O 3.43Å; E317-Q321 WeakPolarHBondContact O-CG 3.12Å; E317-Q321 PolarHBondContact O-N 3.28Å; E317-Q321 PolarHBondContact OE1-NE2 3.1Å; L318-Q321 PolarHBondContact O-N 2.98Å; V319-Q321 VanDerWaalsContact C-N 3.33Å; V319-Q321 PolarHBondContact O-N 3.43Å; Q321-E324 PolarHBondContact O-N 2.77Å; Q321-T325 PolarHBondContact O-N 2.96Å; Q321-T325 VanDerWaalsContact O-N 3.09Å; Q321-T325 PolarHBondContact O-OG1 2.99Å |
| 322 | V | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.8 | -45.9 | 173 | 179.1 | 0 | 0 | 0 | 0 | 110 | L274 F277 N278 L298 L318 V319 I320 E324 T325 I326 | L274-V322 WeakPolarHBondContact O-CG2 3.39Å; F277-V322 HydrophobicContact CB-CG2 4.26Å; F277-V322 HydrophobicContact CD1-CG1 3.69Å; F277-V322 HydrophobicContact CE1-CG1 4.5Å; F277-V322 HydrophobicContact CG-CG1 4.49Å; N278-V322 HydrophobicContact CB-CG2 3.75Å; L298-V322 HydrophobicContact CD1-CB 4.21Å; L298-V322 HydrophobicContact CD1-CG1 3.53Å; L298-V322 HydrophobicContact CD2-CG1 4.4Å; L318-V322 VanDerWaalsContact O-CG2 3.26Å; L318-V322 WeakPolarHBondContact O-CG2 3.19Å; L318-V322 PolarHBondContact O-N 2.91Å; V319-V322 WeakPolarHBondContact O-CB 3.48Å; V319-V322 PolarHBondContact O-N 3.26Å; I320-V322 VanDerWaalsContact C-N 3.31Å; I320-V322 PolarHBondContact O-N 3.05Å; V322-E324 VanDerWaalsContact C-N 3.34Å; V322-E324 PolarHBondContact O-N 3.05Å; V322-T325 PolarHBondContact O-N 2.74Å; V322-T325 VanDerWaalsContact O-N 3.16Å; V322-I326 HydrophobicContact CG1-CD1 3.87Å; V322-I326 HydrophobicContact CG1-CG1 4.33Å; V322-I326 VanDerWaalsContact O-CG1 3.3Å; V322-I326 WeakPolarHBondContact O-CG1 3.5Å; V322-I326 PolarHBondContact O-N 3.26Å |
| 323 | L | 94.7 | Very high | 88.7 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 176.1 | -70 | 174.4 | 0 | 0 | 0 | 111.6 | L295 L298 V319 I320 T325 I326 I327 L341 L344 | L295-L323 HydrophobicContact CD1-CD2 3.61Å; L298-L323 HydrophobicContact CB-CD2 3.85Å; L298-L323 HydrophobicContact CB-CG 4.27Å; L298-L323 HydrophobicContact CD1-CD2 3.94Å; L298-L323 HydrophobicContact CD1-CG 4.41Å; V319-L323 HydrophobicContact CG1-CD1 4.22Å; V319-L323 HydrophobicContact CG1-CG 4.49Å; V319-L323 WeakPolarHBondContact O-CG 3.33Å; V319-L323 PolarHBondContact O-N 2.89Å; I320-L323 CarbonylContact O-C 3.34Å; I320-L323 WeakPolarHBondContact O-CB 3.41Å; I320-L323 PolarHBondContact O-N 3.41Å; L323-T325 VanDerWaalsContact C-N 3.32Å; L323-T325 PolarHBondContact O-N 3.29Å; L323-I326 PolarHBondContact O-N 3.34Å; L323-I327 WeakPolarHBondContact O-CB 3.38Å; L323-I327 WeakPolarHBondContact O-CD1 3.46Å; L323-I327 WeakPolarHBondContact O-CG1 3.49Å; L323-I327 PolarHBondContact O-N 3.18Å; L323-L341 HydrophobicContact CD1-CD2 4.28Å; L323-L341 HydrophobicContact CD2-CD2 4.18Å; L323-L344 HydrophobicContact CD1-CD2 4.09Å |
| 324 | E | 94.4 | Very high | 88.5 | Confident | 19 Ų | 19 | 21.5 Ų | 21.5 | 9% | 0.089 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -54.7 | -48.2 | 173.8 | -176 | -171.2 | 165.3 | 0 | 0 | 110.6 | I320 Q321 V322 I326 I327 R328 R409 A410 A413 | I320-E324 PolarHBondContact O-N 3.42Å; Q321-E324 PolarHBondContact O-N 2.77Å; V322-E324 VanDerWaalsContact C-N 3.34Å; V322-E324 PolarHBondContact O-N 3.05Å; E324-I326 PolarHBondContact O-N 3.2Å; E324-I327 PolarHBondContact O-N 3.39Å; E324-R328 WeakPolarHBondContact O-CG 3.45Å; E324-R328 PolarHBondContact O-N 3.34Å; E324-R328 IonicContact OE1-CZ 3.99Å; E324-R328 IonicContact OE1-NE 3.75Å; E324-R328 PolarHBondContact OE1-NE 3.14Å; E324-R328 IonicContact OE1-NH2 4Å; E324-R328 PolarHBondContact OE1-NH2 3.46Å; E324-R409 IonicContact OE1-NE 3.99Å; E324-R409 IonicContact OE2-NE 2.63Å; E324-A410 HydrophobicContact CB-CB 4.12Å; E324-A413 HydrophobicContact CG-CB 3.9Å |
| 325 | T | 91.3 | Very high | 88.1 | Confident | 20 Ų | 20 | 23 Ų | 23 | 12% | 0.123 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 178.1 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | N278 S281 R282 Q321 V322 L323 R328 R329 | N278-T325 WeakPolarHBondContact OD1-CB 3.49Å; N278-T325 PolarHBondContact OD1-OG1 3.34Å; S281-T325 WeakPolarHBondContact OG-CG2 3.43Å; R282-T325 HydrophobicContact CG-CG2 3.71Å; Q321-T325 PolarHBondContact O-N 2.96Å; Q321-T325 VanDerWaalsContact O-N 3.09Å; Q321-T325 PolarHBondContact O-OG1 2.99Å; V322-T325 PolarHBondContact O-N 2.74Å; V322-T325 VanDerWaalsContact O-N 3.16Å; L323-T325 VanDerWaalsContact C-N 3.32Å; L323-T325 PolarHBondContact O-N 3.29Å; T325-R328 PolarHBondContact O-N 3.34Å; T325-R329 HydrophobicContact CG2-CG 4.28Å; T325-R329 WeakPolarHBondContact O-CB 3.3Å; T325-R329 VanDerWaalsContact O-CG 3.25Å; T325-R329 WeakPolarHBondContact O-CG 3.35Å; T325-R329 PolarHBondContact O-N 3.14Å |
| 326 | I | 91.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.1 | -41.1 | 177.2 | -58.4 | 169.6 | 0 | 0 | 0 | 110.1 | L284 V294 L298 V322 L323 E324 R328 R329 C330 I334 | L284-I326 HydrophobicContact CD2-CD1 4.06Å; L284-I326 HydrophobicContact CD2-CG1 4.17Å; L284-I326 HydrophobicContact CD2-CG2 4.5Å; V294-I326 HydrophobicContact CG1-CD1 3.96Å; L298-I326 HydrophobicContact CD1-CD1 3.67Å; V322-I326 HydrophobicContact CG1-CD1 3.87Å; V322-I326 HydrophobicContact CG1-CG1 4.33Å; V322-I326 VanDerWaalsContact O-CG1 3.3Å; V322-I326 WeakPolarHBondContact O-CG1 3.5Å; V322-I326 PolarHBondContact O-N 3.26Å; L323-I326 PolarHBondContact O-N 3.34Å; E324-I326 PolarHBondContact O-N 3.2Å; I326-R328 VanDerWaalsContact C-N 3.32Å; I326-R328 PolarHBondContact O-N 3.06Å; I326-R329 PolarHBondContact O-N 3.25Å; I326-C330 HydrophobicContact CG2-CB 3.95Å; I326-C330 WeakPolarHBondContact O-CA 3.31Å; I326-C330 WeakPolarHBondContact O-CB 3.11Å; I326-C330 PolarHBondContact O-N 3.09Å; I326-I334 HydrophobicContact CB-CD1 4.14Å; I326-I334 HydrophobicContact CG2-CD1 3.55Å; I326-I334 HydrophobicContact CG2-CG1 4.24Å; I326-I334 WeakPolarHBondContact O-CD1 3.3Å |
| 327 | I | 90.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.4 | -47.3 | 174.6 | -70.7 | 158.8 | 0 | 0 | 0 | 110.7 | L323 E324 R329 I334 L345 A413 I414 F418 | L323-I327 WeakPolarHBondContact O-CB 3.38Å; L323-I327 WeakPolarHBondContact O-CD1 3.46Å; L323-I327 WeakPolarHBondContact O-CG1 3.49Å; L323-I327 PolarHBondContact O-N 3.18Å; E324-I327 PolarHBondContact O-N 3.39Å; I327-R329 PolarHBondContact O-N 3.17Å; I327-I334 HydrophobicContact CB-CD1 4.19Å; I327-I334 HydrophobicContact CG1-CD1 3.78Å; I327-I334 VanDerWaalsContact N-CD1 3.34Å; I327-L345 HydrophobicContact CD1-CD1 4.35Å; I327-A413 HydrophobicContact CG2-CB 3.95Å; I327-I414 HydrophobicContact CD1-CD1 4.11Å; I327-I414 HydrophobicContact CD1-CG1 3.92Å; I327-I414 HydrophobicContact CG1-CG1 4.37Å; I327-I414 HydrophobicContact CG2-CG1 3.8Å; I327-F418 HydrophobicContact CG2-CE2 4.34Å |
| 328 | R | 85 | Confident | 87.6 | Confident | 69 Ų | 69 | 29 Ų | 29 | 26% | 0.26 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -70.2 | -29 | -179.7 | -66.6 | -179.1 | -171.4 | -78 | 1.9 | 113.7 | E324 T325 I326 A413 | E324-R328 WeakPolarHBondContact O-CG 3.45Å; E324-R328 PolarHBondContact O-N 3.34Å; E324-R328 IonicContact OE1-CZ 3.99Å; E324-R328 IonicContact OE1-NE 3.75Å; E324-R328 PolarHBondContact OE1-NE 3.14Å; E324-R328 IonicContact OE1-NH2 4Å; E324-R328 PolarHBondContact OE1-NH2 3.46Å; T325-R328 PolarHBondContact O-N 3.34Å; I326-R328 VanDerWaalsContact C-N 3.32Å; I326-R328 PolarHBondContact O-N 3.06Å; R328-A413 HydrophobicContact CG-CB 3.8Å; R328-A413 VanDerWaalsContact CZ-CB 3.46Å |
| 329 | R | 82.9 | Confident | 87.4 | Confident | 39 Ų | 39 | 32.2 Ų | 32.2 | 15% | 0.147 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -110 | -15.7 | -169.2 | -59.8 | -64.5 | -176.4 | 164.9 | 1.9 | 114.5 | T325 I326 I327 M1412 D1464 | T325-R329 HydrophobicContact CG2-CG 4.28Å; T325-R329 WeakPolarHBondContact O-CB 3.3Å; T325-R329 VanDerWaalsContact O-CG 3.25Å; T325-R329 WeakPolarHBondContact O-CG 3.35Å; T325-R329 PolarHBondContact O-N 3.14Å; I326-R329 PolarHBondContact O-N 3.25Å; I327-R329 PolarHBondContact O-N 3.17Å; R329-M1412 PolarHBondContact NH1-SD 2.88Å; R329-D1464 IonicContact NH2-OD2 3.81Å |
| 330 | C | 82.6 | Confident | 87.3 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 5% | 0.054 | 20% | 0.197 | C | C | . | . | trans | -136.6 | 50.3 | -176.8 | -60.5 | 0 | 0 | 0 | 0 | 112.8 | I326 R332 V333 I334 | I326-C330 HydrophobicContact CG2-CB 3.95Å; I326-C330 WeakPolarHBondContact O-CA 3.31Å; I326-C330 WeakPolarHBondContact O-CB 3.11Å; I326-C330 PolarHBondContact O-N 3.09Å; C330-R332 VanDerWaalsContact C-N 3.35Å; C330-R332 PolarHBondContact O-N 3.4Å; C330-V333 PolarHBondContact O-N 3.15Å; C330-I334 PolarHBondContact O-N 2.78Å | ||
| 331 | P | 77.1 | Confident | 87.2 | Confident | 20 Ų | 20 | 36.5 Ų | 36.5 | 13% | 0.13 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -41 | -172.4 | 22.7 | -34.1 | 0 | 0 | 0 | 114 | V333 I334 S335 V417 F418 | P331-V333 PolarHBondContact O-N 3.41Å; P331-I334 PolarHBondContact O-N 3.48Å; P331-S335 PolarHBondContact O-N 2.96Å; P331-V417 HydrophobicContact CB-CG1 3.51Å; P331-V417 HydrophobicContact CG-CG1 4.34Å; P331-F418 HydrophobicContact CB-CE1 4.19Å; P331-F418 HydrophobicContact CB-CZ 4.09Å |
| 332 | R | 70.5 | Confident | 87.1 | Confident | 94 Ų | 94 | 34.4 Ų | 34.4 | 36% | 0.355 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.5 | -42.8 | -177 | -62.1 | -174.3 | -173.6 | -157.2 | -2.4 | 113.1 | C330 I334 P1379 E1383 K1417 | C330-R332 VanDerWaalsContact C-N 3.35Å; C330-R332 PolarHBondContact O-N 3.4Å; R332-I334 VanDerWaalsContact C-N 3.3Å; R332-P1379 VanDerWaalsContact NH2-CA 3.29Å; R332-P1379 VanDerWaalsContact NH2-CB 3.29Å; R332-P1379 PolarHBondContact NH2-O 3.4Å; R332-E1383 IonicContact CZ-OE1 3.99Å; R332-E1383 IonicContact NH1-OE1 3.59Å; R332-E1383 PolarHBondContact NH1-OE1 3.09Å; R332-E1383 IonicContact NH2-OE1 2.68Å; R332-K1417 VanDerWaalsContact CZ-CE 3.49Å |
| 333 | V | 76.6 | Confident | 87 | Confident | 62 Ų | 62 | 39.5 Ų | 39.5 | 38% | 0.376 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -76.6 | -25.5 | -177.1 | -172.4 | 0 | 0 | 0 | 0 | 111 | I291 C330 P331 P336 | I291-V333 HydrophobicContact CB-CG1 3.92Å; I291-V333 HydrophobicContact CD1-CB 4.39Å; I291-V333 HydrophobicContact CD1-CG1 4.42Å; I291-V333 HydrophobicContact CD1-CG2 3.94Å; I291-V333 HydrophobicContact CG2-CB 3.96Å; I291-V333 HydrophobicContact CG2-CG1 3.43Å; I291-V333 VanDerWaalsContact CG2-CG1 3.43Å; C330-V333 PolarHBondContact O-N 3.15Å; P331-V333 PolarHBondContact O-N 3.41Å; V333-P336 WeakPolarHBondContact O-CD 3.43Å |
| 334 | I | 82.9 | Confident | 86.9 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -78 | -29.7 | 176.9 | -76.4 | 171.9 | 0 | 0 | 0 | 112.5 | L295 I326 I327 C330 P331 R332 P336 S337 L338 L341 F418 | L295-I334 HydrophobicContact CD2-CG1 4.37Å; I326-I334 HydrophobicContact CB-CD1 4.14Å; I326-I334 HydrophobicContact CG2-CD1 3.55Å; I326-I334 HydrophobicContact CG2-CG1 4.24Å; I326-I334 WeakPolarHBondContact O-CD1 3.3Å; I327-I334 HydrophobicContact CB-CD1 4.19Å; I327-I334 HydrophobicContact CG1-CD1 3.78Å; I327-I334 VanDerWaalsContact N-CD1 3.34Å; C330-I334 PolarHBondContact O-N 2.78Å; P331-I334 PolarHBondContact O-N 3.48Å; R332-I334 VanDerWaalsContact C-N 3.3Å; I334-P336 VanDerWaalsContact C-CD 3.41Å; I334-P336 VanDerWaalsContact C-N 3.31Å; I334-P336 VanDerWaalsContact O-N 3.08Å; I334-S337 CarbonylContact O-C 3.58Å; I334-S337 WeakPolarHBondContact O-CA 3.18Å; I334-S337 PolarHBondContact O-N 3.3Å; I334-L338 HydrophobicContact CG2-CD1 4.33Å; I334-L338 PolarHBondContact O-N 3.39Å; I334-L341 HydrophobicContact CG1-CD1 4.49Å; I334-L341 HydrophobicContact CG2-CD1 3.51Å; I334-F418 HydrophobicContact CB-CZ 4.44Å; I334-F418 HydrophobicContact CG2-CE2 4.4Å; I334-F418 HydrophobicContact CG2-CZ 4.04Å |
| 335 | S | 81.6 | Confident | 86.9 | Confident | 65 Ų | 65 | 38.5 Ų | 38.5 | 46% | 0.455 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -44.8 | -44.8 | -174.4 | 179.9 | 0 | 0 | 0 | 0 | 114.7 | P331 S337 L338 | P331-S335 PolarHBondContact O-N 2.96Å; S335-S337 PolarHBondContact O-N 3.12Å; S335-L338 VanDerWaalsContact O-CB 3.31Å; S335-L338 WeakPolarHBondContact O-CB 3.4Å; S335-L338 PolarHBondContact O-N 2.77Å |
| 336 | P | 85.3 | Confident | 87.1 | Confident | 110 Ų | 110 | 38 Ų | 38 | 71% | 0.714 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -66.3 | -31.6 | 176.7 | -20.5 | 34 | 0 | 0 | 0 | 114.8 | V333 I334 | V333-P336 WeakPolarHBondContact O-CD 3.43Å; I334-P336 VanDerWaalsContact C-CD 3.41Å; I334-P336 VanDerWaalsContact C-N 3.31Å; I334-P336 VanDerWaalsContact O-N 3.08Å |
| 337 | S | 87.4 | Confident | 87.1 | Confident | 33 Ų | 33 | 41.6 Ų | 41.6 | 23% | 0.231 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -93.9 | 1.8 | 179.7 | -64.3 | 0 | 0 | 0 | 0 | 113 | I334 S335 E340 L341 | I334-S337 CarbonylContact O-C 3.58Å; I334-S337 WeakPolarHBondContact O-CA 3.18Å; I334-S337 PolarHBondContact O-N 3.3Å; S335-S337 PolarHBondContact O-N 3.12Å; S337-E340 WeakPolarHBondContact O-CB 3.47Å; S337-E340 PolarHBondContact O-N 3.35Å; S337-L341 PolarHBondContact O-N 2.95Å |
| 338 | L | 89.5 | Confident | 87.1 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -42.1 | -175.2 | -175.9 | 63.4 | 0 | 0 | 0 | 113.6 | I334 S335 E340 L341 I342 I414 F418 M421 | I334-L338 HydrophobicContact CG2-CD1 4.33Å; I334-L338 PolarHBondContact O-N 3.39Å; S335-L338 VanDerWaalsContact O-CB 3.31Å; S335-L338 WeakPolarHBondContact O-CB 3.4Å; S335-L338 PolarHBondContact O-N 2.77Å; L338-E340 VanDerWaalsContact C-N 3.32Å; L338-E340 PolarHBondContact O-N 3.33Å; L338-L341 PolarHBondContact O-N 2.9Å; L338-I342 HydrophobicContact CD1-CD1 4.21Å; L338-I342 HydrophobicContact CD1-CG1 4.24Å; L338-I342 HydrophobicContact CG-CD1 3.93Å; L338-I342 HydrophobicContact CG-CG1 4.4Å; L338-I342 WeakPolarHBondContact O-CG1 3.22Å; L338-I342 PolarHBondContact O-N 3.27Å; L338-I414 HydrophobicContact CD1-CD1 3.94Å; L338-I414 HydrophobicContact CD1-CG1 4.07Å; L338-I414 HydrophobicContact CD1-CG2 3.92Å; L338-F418 HydrophobicContact CD1-CD2 4.03Å; L338-F418 HydrophobicContact CD1-CE2 3.76Å; L338-F418 HydrophobicContact CD1-CZ 4.29Å; L338-F418 HydrophobicContact CD2-CB 4.45Å; L338-F418 HydrophobicContact CD2-CD1 4.02Å; L338-F418 HydrophobicContact CD2-CD2 3.96Å; L338-F418 HydrophobicContact CD2-CE1 4.21Å; L338-F418 HydrophobicContact CD2-CE2 4.15Å; L338-F418 HydrophobicContact CD2-CG 3.89Å; L338-F418 HydrophobicContact CD2-CZ 4.27Å; L338-M421 HydrophobicContact CD2-CE 4.26Å; L338-M421 HydrophobicContact CD2-SD 3.43Å; L338-M421 WeakPolarHBondContact CD2-SD 3.31Å |
| 339 | P | 91.3 | Very high | 87.4 | Confident | 80 Ų | 80 | 38.4 Ų | 38.4 | 52% | 0.519 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 176.6 | -23.1 | 34.7 | 0 | 0 | 0 | 112.9 | I342 N343 | P339-I342 PolarHBondContact O-N 3.4Å; P339-N343 VanDerWaalsContact O-CG 3.31Å; P339-N343 PolarHBondContact O-N 3.37Å; P339-N343 VanDerWaalsContact O-N 3.08Å |
| 340 | E | 92.1 | Very high | 87.7 | Confident | 89 Ų | 89 | 40.9 Ų | 40.9 | 42% | 0.416 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 176.7 | -176.2 | -179.4 | -167.2 | 0 | 0 | 111.1 | S337 L338 N343 L344 | S337-E340 WeakPolarHBondContact O-CB 3.47Å; S337-E340 PolarHBondContact O-N 3.35Å; L338-E340 VanDerWaalsContact C-N 3.32Å; L338-E340 PolarHBondContact O-N 3.33Å; E340-N343 PolarHBondContact O-N 3.11Å; E340-L344 WeakPolarHBondContact O-CB 3.43Å; E340-L344 PolarHBondContact O-N 3.23Å |
| 341 | L | 92.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.9 | -41.3 | 176.3 | -73.2 | 174.2 | 0 | 0 | 0 | 112.8 | L295 I299 L323 I334 S337 L338 N343 L344 L345 | L295-L341 HydrophobicContact CD1-CD1 4.24Å; L295-L341 HydrophobicContact CD1-CD2 4.12Å; I299-L341 HydrophobicContact CD1-CD2 3.83Å; I299-L341 HydrophobicContact CD1-CG 4.4Å; I299-L341 HydrophobicContact CG1-CD2 3.87Å; L323-L341 HydrophobicContact CD1-CD2 4.28Å; L323-L341 HydrophobicContact CD2-CD2 4.18Å; I334-L341 HydrophobicContact CG1-CD1 4.49Å; I334-L341 HydrophobicContact CG2-CD1 3.51Å; S337-L341 PolarHBondContact O-N 2.95Å; L338-L341 PolarHBondContact O-N 2.9Å; L341-N343 VanDerWaalsContact C-N 3.32Å; L341-N343 PolarHBondContact O-N 3.3Å; L341-L344 HydrophobicContact CD2-CD2 4.48Å; L341-L344 PolarHBondContact O-N 3.05Å; L341-L345 WeakPolarHBondContact O-CB 3.34Å; L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 3.22Å |
| 342 | I | 94.1 | Very high | 88.2 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 5% | 0.046 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 176.3 | -70.1 | 168.6 | 0 | 0 | 0 | 109.5 | L338 P339 L344 L345 C346 I414 F425 I429 | L338-I342 HydrophobicContact CD1-CD1 4.21Å; L338-I342 HydrophobicContact CD1-CG1 4.24Å; L338-I342 HydrophobicContact CG-CD1 3.93Å; L338-I342 HydrophobicContact CG-CG1 4.4Å; L338-I342 WeakPolarHBondContact O-CG1 3.22Å; L338-I342 PolarHBondContact O-N 3.27Å; P339-I342 PolarHBondContact O-N 3.4Å; I342-L344 PolarHBondContact O-N 2.84Å; I342-L345 PolarHBondContact O-N 3.47Å; I342-C346 VanDerWaalsContact O-CB 3.26Å; I342-C346 WeakPolarHBondContact O-CB 3.46Å; I342-C346 PolarHBondContact O-N 3.49Å; I342-C346 PolarHBondContact O-SG 3Å; I342-I414 HydrophobicContact CD1-CG2 4.45Å; I342-I414 HydrophobicContact CG1-CD1 3.99Å; I342-I414 HydrophobicContact CG1-CG2 4.44Å; I342-F425 HydrophobicContact CD1-CD1 4.49Å; I342-F425 HydrophobicContact CD1-CE1 3.95Å; I342-I429 HydrophobicContact CG2-CD1 4.4Å; I342-I429 HydrophobicContact CG2-CG1 4Å |
| 343 | N | 93.3 | Very high | 88.5 | Confident | 106 Ų | 106 | 39 Ų | 39 | 57% | 0.567 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -60.5 | -47.4 | 177.4 | -71.9 | -13.6 | 0 | 0 | 0 | 111.8 | P339 E340 L341 L345 C346 E347 | P339-N343 VanDerWaalsContact O-CG 3.31Å; P339-N343 PolarHBondContact O-N 3.37Å; P339-N343 VanDerWaalsContact O-N 3.08Å; E340-N343 PolarHBondContact O-N 3.11Å; L341-N343 VanDerWaalsContact C-N 3.32Å; L341-N343 PolarHBondContact O-N 3.3Å; N343-L345 PolarHBondContact O-N 3.43Å; N343-C346 PolarHBondContact O-N 2.81Å; N343-E347 WeakPolarHBondContact O-CB 3.4Å; N343-E347 PolarHBondContact O-N 3.41Å |
| 344 | L | 92.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.9 | -49.9 | 176.3 | 172.8 | 65.9 | 0 | 0 | 0 | 111.7 | I299 A302 Y303 L323 E340 L341 I342 E347 R348 | I299-L344 HydrophobicContact CG1-CD2 4.22Å; I299-L344 HydrophobicContact CG2-CD2 4.45Å; A302-L344 HydrophobicContact CB-CD1 3.83Å; A302-L344 HydrophobicContact CB-CD2 3.86Å; A302-L344 HydrophobicContact CB-CG 4.37Å; Y303-L344 HydrophobicContact CD1-CD1 4.01Å; Y303-L344 HydrophobicContact CD2-CD1 4.26Å; Y303-L344 HydrophobicContact CE1-CD1 3.78Å; Y303-L344 HydrophobicContact CE2-CD1 4.06Å; Y303-L344 HydrophobicContact CG-CD1 4.24Å; L323-L344 HydrophobicContact CD1-CD2 4.09Å; E340-L344 WeakPolarHBondContact O-CB 3.43Å; E340-L344 PolarHBondContact O-N 3.23Å; L341-L344 HydrophobicContact CD2-CD2 4.48Å; L341-L344 PolarHBondContact O-N 3.05Å; I342-L344 PolarHBondContact O-N 2.84Å; L344-E347 PolarHBondContact O-N 2.88Å; L344-R348 HydrophobicContact CD1-CG 4.12Å; L344-R348 VanDerWaalsContact O-CG 3.31Å; L344-R348 WeakPolarHBondContact O-CG 3.44Å; L344-R348 PolarHBondContact O-N 2.9Å |
| 345 | L | 95.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.5 | -35.4 | -177.8 | -66.3 | 173.8 | 0 | 0 | 0 | 111.9 | I320 I327 L341 I342 N343 R348 L349 A407 A410 L411 I414 | I320-L345 HydrophobicContact CG1-CD2 4.39Å; I320-L345 HydrophobicContact CG2-CD2 3.84Å; I327-L345 HydrophobicContact CD1-CD1 4.35Å; L341-L345 WeakPolarHBondContact O-CB 3.34Å; L341-L345 WeakPolarHBondContact O-CG 3.46Å; L341-L345 PolarHBondContact O-N 3.22Å; I342-L345 PolarHBondContact O-N 3.47Å; N343-L345 PolarHBondContact O-N 3.43Å; L345-R348 PolarHBondContact O-N 3.31Å; L345-L349 VanDerWaalsContact O-CB 3.27Å; L345-L349 WeakPolarHBondContact O-CB 3.36Å; L345-L349 PolarHBondContact O-N 2.84Å; L345-A407 HydrophobicContact CD2-CB 4.5Å; L345-A410 HydrophobicContact CD1-CB 3.67Å; L345-A410 HydrophobicContact CD2-CB 3.7Å; L345-A410 HydrophobicContact CG-CB 4.33Å; L345-L411 HydrophobicContact CB-CD1 4.45Å; L345-L411 HydrophobicContact CB-CD2 3.79Å; L345-L411 HydrophobicContact CB-CG 3.9Å; L345-L411 HydrophobicContact CD1-CD2 4.15Å; L345-L411 HydrophobicContact CD1-CG 4.31Å; L345-I414 HydrophobicContact CD1-CD1 3.61Å |
| 346 | C | 93.8 | Very high | 86.8 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 172.8 | -77.5 | 0 | 0 | 0 | 0 | 112.2 | I342 N343 Q350 L432 | I342-C346 VanDerWaalsContact O-CB 3.26Å; I342-C346 WeakPolarHBondContact O-CB 3.46Å; I342-C346 PolarHBondContact O-N 3.49Å; I342-C346 PolarHBondContact O-SG 3Å; N343-C346 PolarHBondContact O-N 2.81Å; C346-Q350 WeakPolarHBondContact O-CG 3.45Å; C346-Q350 PolarHBondContact O-N 3.26Å; C346-Q350 PolarHBondContact O-NE2 3.07Å; C346-L432 HydrophobicContact CB-CD1 3.72Å |
| 347 | E | 91.2 | Very high | 85.7 | Confident | 74 Ų | 74 | 45.3 Ų | 45.3 | 35% | 0.346 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.8 | -46.8 | 173.5 | -170.5 | -172.2 | 135.2 | 0 | 0 | 110.9 | N343 L344 L349 Q350 Y351 | N343-E347 WeakPolarHBondContact O-CB 3.4Å; N343-E347 PolarHBondContact O-N 3.41Å; L344-E347 PolarHBondContact O-N 2.88Å; E347-L349 VanDerWaalsContact C-N 3.3Å; E347-L349 PolarHBondContact O-N 3.48Å; E347-Q350 PolarHBondContact O-N 2.89Å; E347-Q350 VanDerWaalsContact O-N 3.08Å; E347-Y351 PolarHBondContact O-N 3.12Å |
| 348 | R | 91.1 | Very high | 84 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.011 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.1 | -23.6 | 179.3 | -64.9 | -61 | 118.6 | 178.7 | 4.9 | 113.7 | N306 I320 L344 L345 Q350 Y351 V403 A407 | N306-R348 PolarHBondContact OD1-NH2 2.87Å; N306-R348 VanDerWaalsContact OD1-NH2 3.16Å; I320-R348 HydrophobicContact CD1-CB 3.98Å; I320-R348 HydrophobicContact CD1-CG 4.19Å; L344-R348 HydrophobicContact CD1-CG 4.12Å; L344-R348 VanDerWaalsContact O-CG 3.31Å; L344-R348 WeakPolarHBondContact O-CG 3.44Å; L344-R348 PolarHBondContact O-N 2.9Å; L345-R348 PolarHBondContact O-N 3.31Å; R348-Q350 VanDerWaalsContact C-N 3.33Å; R348-Y351 WeakPolarHBondContact O-CB 3.26Å; R348-Y351 PolarHBondContact O-N 2.81Å; R348-V403 HydrophobicContact CB-CG1 4.13Å; R348-A407 HydrophobicContact CB-CB 4.17Å |
| 349 | L | 91.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.3 | -26.3 | 170.6 | -178.2 | 56.1 | 0 | 0 | 0 | 112.2 | L345 E347 R404 A407 A408 L411 L432 L433 I448 | L345-L349 VanDerWaalsContact O-CB 3.27Å; L345-L349 WeakPolarHBondContact O-CB 3.36Å; L345-L349 PolarHBondContact O-N 2.84Å; E347-L349 VanDerWaalsContact C-N 3.3Å; E347-L349 PolarHBondContact O-N 3.48Å; L349-R404 HydrophobicContact CD1-CB 4.29Å; L349-R404 WeakPolarHBondContact CD1-O 3.49Å; L349-R404 WeakPolarHBondContact O-CD 3.5Å; L349-A407 HydrophobicContact CB-CB 4.03Å; L349-A408 HydrophobicContact CD1-CB 4.13Å; L349-L411 HydrophobicContact CD2-CD1 3.74Å; L349-L432 HydrophobicContact CB-CD2 4.17Å; L349-L432 HydrophobicContact CD2-CD2 3.31Å; L349-L432 HydrophobicContact CG-CD2 3.83Å; L349-L433 HydrophobicContact CD2-CD2 3.85Å; L349-I448 HydrophobicContact CD1-CD1 4.26Å; L349-I448 HydrophobicContact CD1-CG1 4.25Å |
| 350 | Q | 89.4 | Confident | 79.3 | Confident | 91 Ų | 91 | 55.9 Ų | 55.9 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -89.3 | -4.5 | 174.9 | -68.9 | 172.8 | 100.5 | 0 | 0 | 113.3 | C346 E347 R348 D352 L432 | C346-Q350 WeakPolarHBondContact O-CG 3.45Å; C346-Q350 PolarHBondContact O-N 3.26Å; C346-Q350 PolarHBondContact O-NE2 3.07Å; E347-Q350 PolarHBondContact O-N 2.89Å; E347-Q350 VanDerWaalsContact O-N 3.08Å; R348-Q350 VanDerWaalsContact C-N 3.33Å; Q350-D352 PolarHBondContact O-N 3.33Å; Q350-L432 HydrophobicContact CG-CD1 3.88Å; Q350-L432 HydrophobicContact CG-CG 4.31Å; Q350-L432 VanDerWaalsContact NE2-CD1 3.27Å |
| 351 | Y | 86.2 | Confident | 76.6 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 11% | 0.106 | 31% | 0.309 | C | S | . | . | trans | -72.4 | 98.6 | -177.8 | 176.7 | -104.1 | 0 | 0 | 0 | 110.9 | D313 E347 R348 P353 V403 R404 | D313-Y351 WeakPolarHBondContact OD1-CE1 3.45Å; D313-Y351 PolarHBondContact OD1-OH 3.4Å; E347-Y351 PolarHBondContact O-N 3.12Å; R348-Y351 WeakPolarHBondContact O-CB 3.26Å; R348-Y351 PolarHBondContact O-N 2.81Å; Y351-P353 HydrophobicContact CD1-CG 4.34Å; Y351-P353 HydrophobicContact CD2-CG 4.21Å; Y351-P353 HydrophobicContact CE1-CG 3.72Å; Y351-P353 HydrophobicContact CE2-CG 3.56Å; Y351-P353 WeakPolarHBondContact OH-CG 3.33Å; Y351-V403 HydrophobicContact CD1-CB 4.4Å; Y351-V403 HydrophobicContact CD1-CG1 4.23Å; Y351-R404 WeakPolarHBondContact O-CD 3.17Å; Y351-R404 WeakPolarHBondContact O-CG 3.32Å; Y351-R404 PolarHBondContact O-NH1 3.43Å | ||
| 352 | D | 83.8 | Confident | 74.1 | Confident | 15 Ų | 15 | 66.5 Ų | 66.5 | 8% | 0.08 | 35% | 0.351 | C | S | . | . | trans | -133.1 | 85.2 | 173.4 | -161 | -13.8 | 0 | 0 | 0 | 109.9 | Q350 N354 Y355 Y357 R404 R440 | Q350-D352 PolarHBondContact O-N 3.33Å; D352-N354 PolarHBondContact O-N 3.29Å; D352-N354 VanDerWaalsContact O-N 3.1Å; D352-N354 PolarHBondContact OD1-N 2.97Å; D352-Y355 PolarHBondContact O-N 3.39Å; D352-Y355 VanDerWaalsContact O-O 3.06Å; D352-Y355 WeakPolarHBondContact OD2-CB 3.41Å; D352-Y357 HydrophobicContact CB-CE2 4.1Å; D352-Y357 PolarHBondContact OD2-OH 3.09Å; D352-R404 VanDerWaalsContact CG-NH1 3.26Å; D352-R404 IonicContact OD1-CZ 2.73Å; D352-R404 IonicContact OD1-NH1 3.87Å; D352-R404 PolarHBondContact OD1-NH1 3.26Å; D352-R404 IonicContact OD1-NH2 3.37Å; D352-R404 IonicContact OD2-CZ 3.77Å; D352-R404 IonicContact OD2-NH1 3.82Å; D352-R404 IonicContact OD2-NH2 3.28Å; D352-R404 PolarHBondContact OD2-NH2 3.12Å; D352-R440 IonicContact OD1-CZ 3.08Å; D352-R440 IonicContact OD1-NH2 2.73Å | ||
| 353 | P | 77 | Confident | 71.2 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 26% | 0.26 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.3 | 179.9 | -26.1 | 35.6 | 0 | 0 | 0 | 114.2 | Y351 | Y351-P353 HydrophobicContact CD1-CG 4.34Å; Y351-P353 HydrophobicContact CD2-CG 4.21Å; Y351-P353 HydrophobicContact CE1-CG 3.72Å; Y351-P353 HydrophobicContact CE2-CG 3.56Å; Y351-P353 WeakPolarHBondContact OH-CG 3.33Å |
| 354 | N | 74.9 | Confident | 68.3 | Low | 85 Ų | 85 | 71.9 Ų | 71.9 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 4.9 | -172.4 | -61.3 | -32.9 | 0 | 0 | 0 | 112.2 | D352 D398 R440 | D352-N354 PolarHBondContact O-N 3.29Å; D352-N354 VanDerWaalsContact O-N 3.1Å; D352-N354 PolarHBondContact OD1-N 2.97Å; N354-D398 PolarHBondContact ND2-OD1 3.39Å; N354-D398 VanDerWaalsContact ND2-OD1 3.08Å; N354-D398 PolarHBondContact ND2-OD2 2.99Å; N354-R440 VanDerWaalsContact CB-NH2 3.32Å; N354-R440 PolarHBondContact O-NH1 2.88Å |
| 355 | Y | 67.6 | Low | 65.7 | Low | 116 Ų | 116 | 79.3 Ų | 79.3 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | trans | -154.3 | 119.7 | -179.4 | -159.2 | -96.4 | 0 | 0 | 0 | 112.4 | D352 Y357 | D352-Y355 PolarHBondContact O-N 3.39Å; D352-Y355 VanDerWaalsContact O-O 3.06Å; D352-Y355 WeakPolarHBondContact OD2-CB 3.41Å; Y355-Y357 AromaticContact CD1-CD1 3.82Å; Y355-Y357 HydrophobicContact CD1-CD1 3.82Å; Y355-Y357 AromaticContact CD1-CD2 3.87Å; Y355-Y357 HydrophobicContact CD1-CD2 3.87Å; Y355-Y357 AromaticContact CD1-CE1 3.64Å; Y355-Y357 HydrophobicContact CD1-CE1 3.64Å; Y355-Y357 AromaticContact CD1-CE2 3.69Å; Y355-Y357 HydrophobicContact CD1-CE2 3.69Å; Y355-Y357 AromaticContact CD1-CG 3.92Å; Y355-Y357 HydrophobicContact CD1-CG 3.92Å; Y355-Y357 AromaticContact CD1-CZ 3.57Å; Y355-Y357 AromaticContact CE1-CD1 3.64Å; Y355-Y357 HydrophobicContact CE1-CD1 3.64Å; Y355-Y357 AromaticContact CE1-CE1 3.6Å; Y355-Y357 HydrophobicContact CE1-CE1 3.6Å; Y355-Y357 HydrophobicContact CE1-CE2 4.46Å; Y355-Y357 HydrophobicContact CE1-CG 4.1Å | ||
| 356 | D | 62 | Low | 62.6 | Low | 119 Ų | 119 | 87.9 Ų | 87.9 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | trans | -94.2 | 110.2 | 172.7 | -170.9 | 4 | 0 | 0 | 0 | 110.5 | G358 | D356-G358 PolarHBondContact O-N 2.9Å; D356-G358 WeakPolarHBondContact OD1-CA 3.41Å; D356-G358 PolarHBondContact OD1-N 3.48Å | ||
| 357 | Y | 62.3 | Low | 59.5 | Low | 51 Ų | 51 | 96.4 Ų | 96.4 | 20% | 0.2 | 52% | 0.519 | C | S | . | . | G | 310 helix | trans | -73.6 | -5.1 | 174 | -66.1 | -86 | 0 | 0 | 0 | 112.9 | D352 Y355 L359 N438 | D352-Y357 HydrophobicContact CB-CE2 4.1Å; D352-Y357 PolarHBondContact OD2-OH 3.09Å; Y355-Y357 AromaticContact CD1-CD1 3.82Å; Y355-Y357 HydrophobicContact CD1-CD1 3.82Å; Y355-Y357 AromaticContact CD1-CD2 3.87Å; Y355-Y357 HydrophobicContact CD1-CD2 3.87Å; Y355-Y357 AromaticContact CD1-CE1 3.64Å; Y355-Y357 HydrophobicContact CD1-CE1 3.64Å; Y355-Y357 AromaticContact CD1-CE2 3.69Å; Y355-Y357 HydrophobicContact CD1-CE2 3.69Å; Y355-Y357 AromaticContact CD1-CG 3.92Å; Y355-Y357 HydrophobicContact CD1-CG 3.92Å; Y355-Y357 AromaticContact CD1-CZ 3.57Å; Y355-Y357 AromaticContact CE1-CD1 3.64Å; Y355-Y357 HydrophobicContact CE1-CD1 3.64Å; Y355-Y357 AromaticContact CE1-CE1 3.6Å; Y355-Y357 HydrophobicContact CE1-CE1 3.6Å; Y355-Y357 HydrophobicContact CE1-CE2 4.46Å; Y355-Y357 HydrophobicContact CE1-CG 4.1Å; Y357-L359 PolarHBondContact O-N 3.07Å; Y357-N438 HydrophobicContact CE1-CB 4.46Å |
| 358 | G | 50.5 | Low | 56.6 | Low | 55 Ų | 55 | 95.9 Ų | 95.9 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -78.2 | -3.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | D356 | D356-G358 PolarHBondContact O-N 2.9Å; D356-G358 WeakPolarHBondContact OD1-CA 3.41Å; D356-G358 PolarHBondContact OD1-N 3.48Å |
| 359 | L | 43.5 | Very low | 53.7 | Low | 156 Ų | 156 | 101.1 Ų | 101.1 | 82% | 0.817 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -111.6 | 20.6 | -174.9 | -67.3 | 177.8 | 0 | 0 | 0 | 115.3 | Y357 | Y357-L359 PolarHBondContact O-N 3.07Š|
| 360 | V | 39.8 | Very low | 50.7 | Low | 126 Ų | 126 | 108.2 Ų | 108.2 | 76% | 0.764 | 60% | 0.604 | S | S | * | * | trans | -130.9 | 24.6 | 179.8 | -134.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 361 | E | 36.3 | Very low | 48 | Very low | 146 Ų | 146 | 109.9 Ų | 109.9 | 68% | 0.682 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -100.3 | 116.6 | 166.5 | -77.5 | 178.8 | 173.9 | 0 | 0 | 110.1 | ||
| 362 | D | 38.7 | Very low | 45.3 | Very low | 166 Ų | 166 | 115.1 Ų | 115.1 | 89% | 0.888 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 80.4 | 62.9 | 157 | -54.3 | -22.1 | 0 | 0 | 0 | 120.4 | ||
| 363 | G | 33.5 | Very low | 42.8 | Very low | 78 Ų | 78 | 121.6 Ų | 121.6 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | trans | -145.5 | 101 | 160 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 364 | D | 31.8 | Very low | 40.7 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 81% | 0.807 | 70% | 0.697 | S | S | * | * | trans | -53.5 | 141.3 | -178.5 | -65.5 | -48.3 | 0 | 0 | 0 | 115.5 | Q366 | D364-Q366 PolarHBondContact O-N 3.5Å; D364-Q366 VanDerWaalsContact O-N 3.12Å | ||
| 365 | D | 39.5 | Very low | 38.7 | Very low | 156 Ų | 156 | 127.6 Ų | 127.6 | 83% | 0.834 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 28.4 | 66.7 | 139.2 | -67.2 | -24.6 | 0 | 0 | 0 | 119.1 | ||
| 366 | Q | 29.2 | Very low | 37.2 | Very low | 180 Ų | 180 | 131 Ų | 131 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | trans | -159.6 | 59.2 | 166 | -119.3 | 165 | 74.9 | 0 | 0 | 115.5 | D364 | D364-Q366 PolarHBondContact O-N 3.5Å; D364-Q366 VanDerWaalsContact O-N 3.12Å | ||
| 367 | M | 30.2 | Very low | 35.8 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 93% | 0.931 | 74% | 0.74 | S | S | * | * | trans | -104.9 | 87.7 | 147.9 | -69.1 | -60.2 | -77.6 | 0 | 0 | 107.3 | V369 | M367-V369 PolarHBondContact O-N 3.09Š| ||
| 368 | G | 30 | Very low | 34.4 | Very low | 63 Ų | 63 | 137.7 Ų | 137.7 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | trans | -49.7 | 128.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N370 | G368-N370 PolarHBondContact O-N 2.91Š| ||
| 369 | V | 30.3 | Very low | 33.7 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | -58.1 | 86.8 | 160.7 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | M367 N371 | M367-V369 PolarHBondContact O-N 3.09Å; V369-N371 HydrophobicContact CG1-CB 4.45Å; V369-N371 WeakPolarHBondContact CG1-OD1 3.32Å; V369-N371 PolarHBondContact O-N 3.21Å | ||
| 370 | N | 29.4 | Very low | 33.3 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -82.4 | 82.1 | 157.4 | -85.6 | -9.5 | 0 | 0 | 0 | 106.9 | G368 N372 | G368-N370 PolarHBondContact O-N 2.91Å; N370-N372 VanDerWaalsContact C-N 3.27Å; N370-N372 PolarHBondContact O-N 3.22Å | ||
| 371 | N | 31.9 | Very low | 33.2 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | trans | -55.9 | 96.5 | 154.4 | -74.4 | -20.3 | 0 | 0 | 0 | 107.3 | V369 | V369-N371 HydrophobicContact CG1-CB 4.45Å; V369-N371 WeakPolarHBondContact CG1-OD1 3.32Å; V369-N371 PolarHBondContact O-N 3.21Å | ||
| 372 | N | 29.7 | Very low | 33.2 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | -130 | 94.8 | 152.7 | -81.8 | -24.9 | 0 | 0 | 0 | 105.8 | N370 V374 | N370-N372 VanDerWaalsContact C-N 3.27Å; N370-N372 PolarHBondContact O-N 3.22Å; N372-V374 PolarHBondContact O-N 2.97Å; N372-V374 VanDerWaalsContact O-N 3.14Å | ||
| 373 | D | 31.4 | Very low | 33.1 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | -43.6 | 113.1 | 158.5 | -58.6 | -54.1 | 0 | 0 | 0 | 108.6 | ||||
| 374 | V | 32.7 | Very low | 33.3 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 62% | 0.618 | 78% | 0.776 | S | S | * | * | trans | -133.6 | 92.2 | 158.6 | -145.5 | 0 | 0 | 0 | 0 | 106.8 | N372 F376 | N372-V374 PolarHBondContact O-N 2.97Å; N372-V374 VanDerWaalsContact O-N 3.14Å; V374-F376 HydrophobicContact CB-CD2 4.22Å; V374-F376 HydrophobicContact CB-CE2 4.13Å; V374-F376 HydrophobicContact CG1-CD2 3.75Å; V374-F376 HydrophobicContact CG1-CE2 3.28Å; V374-F376 HydrophobicContact CG1-CZ 4.02Å; V374-F376 PolarHBondContact O-N 3.27Å | ||
| 375 | D | 33.2 | Very low | 33.7 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -53.6 | 112.7 | 160.1 | -67.2 | -47 | 0 | 0 | 0 | 108.1 | ||||
| 376 | F | 34.8 | Very low | 33.6 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 82% | 0.82 | 77% | 0.77 | S | S | * | * | trans | -121.9 | 94.5 | 157.4 | -79.9 | -70.7 | 0 | 0 | 0 | 107.5 | V374 | V374-F376 HydrophobicContact CB-CD2 4.22Å; V374-F376 HydrophobicContact CB-CE2 4.13Å; V374-F376 HydrophobicContact CG1-CD2 3.75Å; V374-F376 HydrophobicContact CG1-CE2 3.28Å; V374-F376 HydrophobicContact CG1-CZ 4.02Å; V374-F376 PolarHBondContact O-N 3.27Å | ||
| 377 | E | 33.1 | Very low | 34.1 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -55 | 127.8 | 160 | -67.3 | 177.9 | 155 | 0 | 0 | 109.4 | ||||
| 378 | D | 33.9 | Very low | 34.7 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | 47.8 | 90.6 | 124.5 | -135.2 | 14.2 | 0 | 0 | 0 | 116.3 | |||||
| 379 | D | 34.6 | Very low | 35.2 | Very low | 164 Ų | 164 | 144.6 Ų | 144.6 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -135.2 | 108.5 | 150 | -97 | -31.3 | 0 | 0 | 0 | 109.9 | A381 | D379-A381 PolarHBondContact O-N 3.48Š| ||
| 380 | N | 34.7 | Very low | 35.7 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -54.8 | 118.1 | 168.8 | -62.6 | -74.8 | 0 | 0 | 0 | 110.2 | ||||
| 381 | A | 37.9 | Very low | 36.3 | Very low | 100 Ų | 100 | 143 Ų | 143 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -126.9 | 97.3 | 158 | 0 | 0 | 0 | 0 | 0 | 107.5 | D379 | D379-A381 PolarHBondContact O-N 3.48Š| ||
| 382 | D | 36.3 | Very low | 36.7 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -53 | 130.2 | 168.5 | -80.8 | -47.5 | 0 | 0 | 0 | 111.5 | ||||
| 383 | V | 37.3 | Very low | 37.3 | Very low | 101 Ų | 101 | 150.7 Ų | 150.7 | 61% | 0.612 | 80% | 0.8 | S | S | * | * | trans | 55.6 | 99.2 | 137.6 | -163.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 384 | D | 38.3 | Very low | 38 | Very low | 169 Ų | 169 | 147 Ų | 147 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | trans | -133.1 | 97.2 | 138.2 | -83.2 | -39.3 | 0 | 0 | 0 | 107 | ||||
| 385 | D | 40.1 | Very low | 38.9 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -55.8 | 125.4 | 155.3 | -69.6 | -50.8 | 0 | 0 | 0 | 107.4 | ||||
| 386 | D | 36.6 | Very low | 40 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -179.1 | 128.5 | 139.5 | -85.5 | -25.4 | 0 | 0 | 0 | 110.6 | ||||
| 387 | D | 38.9 | Very low | 41.3 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | 86.1 | 77.4 | 157 | -56.2 | -26.1 | 0 | 0 | 0 | 119.7 | E389 | D387-E389 PolarHBondContact O-N 3.35Š| ||
| 388 | D | 42.5 | Very low | 43.2 | Very low | 169 Ų | 169 | 139 Ų | 139 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | trans | -46.8 | 108.3 | 145.5 | -62.4 | -57.2 | 0 | 0 | 0 | 112.6 | ||||
| 389 | E | 41.1 | Very low | 45.5 | Very low | 186 Ų | 186 | 134 Ų | 134 | 87% | 0.869 | 72% | 0.723 | S | S | * | * | trans | -155.3 | 19.2 | 158.5 | -124.1 | 177.2 | -151.1 | 0 | 0 | 116 | D387 G391 | D387-E389 PolarHBondContact O-N 3.35Å; E389-G391 PolarHBondContact O-N 3.38Å | ||
| 390 | D | 41.8 | Very low | 48 | Very low | 161 Ų | 161 | 126.2 Ų | 126.2 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | trans | -89.8 | 89.7 | 168.5 | -76.2 | -30.7 | 0 | 0 | 0 | 109.4 | E392 | D390-E392 PolarHBondContact O-N 2.9Š| ||
| 391 | G | 41.8 | Very low | 50.6 | Low | 68 Ų | 68 | 122.2 Ų | 122.2 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | trans | -51.9 | 97.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E389 Y393 | E389-G391 PolarHBondContact O-N 3.38Å; G391-Y393 PolarHBondContact O-N 3.01Å; G391-Y393 VanDerWaalsContact O-N 3.13Å | ||
| 392 | E | 39.2 | Very low | 53.2 | Low | 184 Ų | 184 | 119.8 Ų | 119.8 | 86% | 0.86 | 63% | 0.627 | S | S | * | * | trans | -57.9 | 114.3 | 173.7 | -70.3 | 177.7 | 152.6 | 0 | 0 | 109.1 | D390 S394 | D390-E392 PolarHBondContact O-N 2.9Å; E392-S394 VanDerWaalsContact C-N 3.26Å; E392-S394 PolarHBondContact O-N 3.12Å | ||
| 393 | Y | 44 | Very low | 55.8 | Low | 239 Ų | 239 | 112.8 Ų | 112.8 | 94% | 0.937 | 59% | 0.589 | S | S | * | * | trans | -58.4 | 91.4 | 164.5 | -78.9 | -93.7 | 0 | 0 | 0 | 108.5 | G391 D395 | G391-Y393 PolarHBondContact O-N 3.01Å; G391-Y393 VanDerWaalsContact O-N 3.13Å; Y393-D395 PolarHBondContact O-N 3.29Å | ||
| 394 | S | 44.7 | Very low | 58.5 | Low | 73 Ų | 73 | 108 Ų | 108 | 51% | 0.51 | 56% | 0.56 | S | S | . | * | trans | -68.7 | 107.9 | 177.9 | 168.9 | 0 | 0 | 0 | 0 | 110.3 | E392 D396 | E392-S394 VanDerWaalsContact C-N 3.26Å; E392-S394 PolarHBondContact O-N 3.12Å; S394-D396 PolarHBondContact O-N 2.92Å; S394-D396 WeakPolarHBondContact OG-CB 3.44Å | ||
| 395 | D | 52.3 | Low | 61.2 | Low | 109 Ų | 109 | 103.4 Ų | 103.4 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -52.3 | -17.5 | 172.3 | -163 | 17.9 | 0 | 0 | 0 | 113.2 | Y393 E397 D398 | Y393-D395 PolarHBondContact O-N 3.29Å; D395-E397 PolarHBondContact O-N 2.65Å; D395-D398 PolarHBondContact O-N 3.17Å; D395-D398 VanDerWaalsContact O-N 3.1Å |
| 396 | D | 55.7 | Low | 63.8 | Low | 154 Ų | 154 | 97.1 Ų | 97.1 | 82% | 0.824 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -62.7 | -15.3 | -176.9 | -68.4 | -18 | 0 | 0 | 0 | 115.1 | S394 | S394-D396 PolarHBondContact O-N 2.92Å; S394-D396 WeakPolarHBondContact OG-CB 3.44Å |
| 397 | E | 62.2 | Low | 66.7 | Low | 162 Ų | 162 | 90.1 Ų | 90.1 | 76% | 0.757 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -94 | -0.7 | 176.4 | -65.5 | -163.6 | 170.8 | 0 | 0 | 114.4 | D395 V399 | D395-E397 PolarHBondContact O-N 2.65Å; E397-V399 PolarHBondContact O-N 3.48Å |
| 398 | D | 73.3 | Confident | 69.4 | Low | 24 Ų | 24 | 82.9 Ų | 82.9 | 13% | 0.128 | 42% | 0.421 | C | S | . | . | trans | -74.5 | 115.1 | 178.9 | -172.2 | 11.5 | 0 | 0 | 0 | 112.7 | N354 D395 S400 W401 R440 | N354-D398 PolarHBondContact ND2-OD1 3.39Å; N354-D398 VanDerWaalsContact ND2-OD1 3.08Å; N354-D398 PolarHBondContact ND2-OD2 2.99Å; D395-D398 PolarHBondContact O-N 3.17Å; D395-D398 VanDerWaalsContact O-N 3.1Å; D398-S400 WeakPolarHBondContact OD1-CB 3.41Å; D398-S400 PolarHBondContact OD1-N 3.22Å; D398-S400 PolarHBondContact OD1-OG 3.15Å; D398-S400 PolarHBondContact OD2-OG 3.39Å; D398-W401 VanDerWaalsContact O-CD1 3.22Å; D398-W401 PolarHBondContact O-NE1 3.06Å; D398-R440 IonicContact OD2-CZ 3.18Å; D398-R440 IonicContact OD2-NH2 3.52Å; D398-R440 PolarHBondContact OD2-NH2 3.47Å | ||
| 399 | V | 82.8 | Confident | 72 | Confident | 29 Ų | 29 | 80.8 Ų | 80.8 | 18% | 0.176 | 40% | 0.401 | C | S | . | . | trans | -111 | -6.7 | 178 | 179 | 0 | 0 | 0 | 0 | 112.3 | D314 E397 W401 K402 | D314-V399 WeakPolarHBondContact OD1-CG1 3.41Å; E397-V399 PolarHBondContact O-N 3.48Å; V399-W401 PolarHBondContact O-N 2.7Å; V399-W401 VanDerWaalsContact O-N 3.15Å; V399-K402 HydrophobicContact CG1-CD 3.68Å; V399-K402 HydrophobicContact CG1-CG 4.16Å; V399-K402 WeakPolarHBondContact O-CB 3.37Å; V399-K402 WeakPolarHBondContact O-CG 3.33Å; V399-K402 PolarHBondContact O-N 3.3Å | ||
| 400 | S | 86.5 | Confident | 74.6 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.5 | -31.6 | -174.3 | 69.7 | 0 | 0 | 0 | 0 | 113 | D313 D398 K402 V403 R404 | D313-S400 WeakPolarHBondContact OD2-CA 3.43Å; D313-S400 WeakPolarHBondContact OD2-CB 3.41Å; D398-S400 WeakPolarHBondContact OD1-CB 3.41Å; D398-S400 PolarHBondContact OD1-N 3.22Å; D398-S400 PolarHBondContact OD1-OG 3.15Å; D398-S400 PolarHBondContact OD2-OG 3.39Å; S400-K402 PolarHBondContact O-N 3.34Å; S400-K402 VanDerWaalsContact O-N 3.16Å; S400-V403 VanDerWaalsContact O-CB 3.31Å; S400-V403 WeakPolarHBondContact O-CB 3.37Å; S400-V403 PolarHBondContact O-N 3.07Å; S400-R404 PolarHBondContact OG-NH1 2.79Å |
| 401 | W | 89.7 | Confident | 77.2 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 21% | 0.212 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.4 | -29.3 | 177.5 | 68.1 | -94.6 | 0 | 0 | 0 | 113.7 | D398 V399 V403 R404 R405 E441 S443 V444 | D398-W401 VanDerWaalsContact O-CD1 3.22Å; D398-W401 PolarHBondContact O-NE1 3.06Å; V399-W401 PolarHBondContact O-N 2.7Å; V399-W401 VanDerWaalsContact O-N 3.15Å; W401-V403 VanDerWaalsContact C-N 3.26Å; W401-V403 PolarHBondContact O-N 3.31Å; W401-R404 PolarHBondContact O-N 3.28Å; W401-R405 PolarHBondContact O-N 3.25Å; W401-E441 HydrophobicContact CB-CB 4.25Å; W401-E441 HydrophobicContact CB-CG 3.6Å; W401-E441 HydrophobicContact CG-CG 4.15Å; W401-S443 WeakPolarHBondContact CZ3-OG 3.29Å; W401-V444 HydrophobicContact CB-CG2 4.05Å; W401-V444 HydrophobicContact CE3-CG2 4.25Å; W401-V444 VanDerWaalsContact O-CG2 3.29Å; W401-V444 WeakPolarHBondContact O-CG2 3.49Å |
| 402 | K | 91.8 | Very high | 79.7 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 21% | 0.213 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -36.6 | 177.7 | -62.5 | -172 | -161 | 152.8 | 0 | 111.2 | D314 E317 V399 S400 R405 A406 | D314-K402 IonicContact OD1-NZ 3.29Å; D314-K402 PolarHBondContact OD1-NZ 3.43Å; E317-K402 HydrophobicContact CB-CB 4.34Å; E317-K402 HydrophobicContact CG-CB 3.95Å; E317-K402 VanDerWaalsContact OE2-CD 3.23Å; E317-K402 WeakPolarHBondContact OE2-CD 3.4Å; V399-K402 HydrophobicContact CG1-CD 3.68Å; V399-K402 HydrophobicContact CG1-CG 4.16Å; V399-K402 WeakPolarHBondContact O-CB 3.37Å; V399-K402 WeakPolarHBondContact O-CG 3.33Å; V399-K402 PolarHBondContact O-N 3.3Å; S400-K402 PolarHBondContact O-N 3.34Å; S400-K402 VanDerWaalsContact O-N 3.16Å; K402-R405 PolarHBondContact O-N 2.97Å; K402-A406 WeakPolarHBondContact O-CB 3.42Å; K402-A406 PolarHBondContact O-N 2.93Å |
| 403 | V | 91.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.7 | -49.7 | 175.9 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | D313 V316 E317 I320 R348 Y351 S400 W401 R405 A406 A407 | D313-V403 HydrophobicContact CB-CG2 3.96Å; D313-V403 VanDerWaalsContact O-CG2 3.23Å; D313-V403 WeakPolarHBondContact O-CG2 3.33Å; V316-V403 HydrophobicContact CB-CG2 4.18Å; V316-V403 HydrophobicContact CG1-CG1 3.72Å; V316-V403 HydrophobicContact CG1-CG2 4.23Å; E317-V403 HydrophobicContact CB-CG2 4.46Å; I320-V403 HydrophobicContact CD1-CG1 3.91Å; R348-V403 HydrophobicContact CB-CG1 4.13Å; Y351-V403 HydrophobicContact CD1-CB 4.4Å; Y351-V403 HydrophobicContact CD1-CG1 4.23Å; S400-V403 VanDerWaalsContact O-CB 3.31Å; S400-V403 WeakPolarHBondContact O-CB 3.37Å; S400-V403 PolarHBondContact O-N 3.07Å; W401-V403 VanDerWaalsContact C-N 3.26Å; W401-V403 PolarHBondContact O-N 3.31Å; V403-R405 PolarHBondContact O-N 3.02Å; V403-A406 PolarHBondContact O-N 3.47Å; V403-A407 WeakPolarHBondContact O-CB 3.4Å; V403-A407 PolarHBondContact O-N 3.17Å |
| 404 | R | 93.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 177.9 | -62.4 | -164.5 | -65.9 | -84.5 | 11.4 | 111.9 | L349 Y351 D352 S400 W401 A406 A407 A408 E439 V444 | L349-R404 HydrophobicContact CD1-CB 4.29Å; L349-R404 WeakPolarHBondContact CD1-O 3.49Å; L349-R404 WeakPolarHBondContact O-CD 3.5Å; Y351-R404 WeakPolarHBondContact O-CD 3.17Å; Y351-R404 WeakPolarHBondContact O-CG 3.32Å; Y351-R404 PolarHBondContact O-NH1 3.43Å; D352-R404 VanDerWaalsContact CG-NH1 3.26Å; D352-R404 IonicContact OD1-CZ 2.73Å; D352-R404 IonicContact OD1-NH1 3.87Å; D352-R404 PolarHBondContact OD1-NH1 3.26Å; D352-R404 IonicContact OD1-NH2 3.37Å; D352-R404 IonicContact OD2-CZ 3.77Å; D352-R404 IonicContact OD2-NH1 3.82Å; D352-R404 IonicContact OD2-NH2 3.28Å; D352-R404 PolarHBondContact OD2-NH2 3.12Å; S400-R404 PolarHBondContact OG-NH1 2.79Å; W401-R404 PolarHBondContact O-N 3.28Å; R404-A406 PolarHBondContact O-N 3.26Å; R404-A407 WeakPolarHBondContact O-CB 3.44Å; R404-A407 PolarHBondContact O-N 3.01Å; R404-A408 PolarHBondContact O-N 3.17Å; R404-E439 WeakPolarHBondContact CD-OE2 3.45Å; R404-E439 IonicContact CZ-OE1 3.79Å; R404-E439 IonicContact CZ-OE2 2.73Å; R404-E439 IonicContact NE-OE1 3Å; R404-E439 PolarHBondContact NE-OE1 2.99Å; R404-E439 IonicContact NE-OE2 3.91Å; R404-E439 PolarHBondContact NE-OE2 3.47Å; R404-E439 IonicContact NH2-OE1 3.5Å; R404-E439 PolarHBondContact NH2-OE1 2.85Å; R404-E439 IonicContact NH2-OE2 3.07Å; R404-V444 HydrophobicContact CB-CG1 3.74Å; R404-V444 HydrophobicContact CB-CG2 4.33Å |
| 405 | R | 94.7 | Very high | 86.6 | Confident | 74 Ų | 74 | 38.7 Ų | 38.7 | 28% | 0.279 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.8 | -47.1 | 175.5 | -170 | -178.7 | 64.9 | 178.2 | -2.8 | 111.9 | E317 W401 K402 V403 A407 A408 R409 V444 | E317-R405 IonicContact OE1-NH2 2.62Å; E317-R405 PolarHBondContact OE1-NH2 3.46Å; W401-R405 PolarHBondContact O-N 3.25Å; K402-R405 PolarHBondContact O-N 2.97Å; V403-R405 PolarHBondContact O-N 3.02Å; R405-A407 VanDerWaalsContact C-N 3.31Å; R405-A407 PolarHBondContact O-N 3.3Å; R405-A408 PolarHBondContact O-N 3.21Å; R405-R409 PolarHBondContact O-N 3.45Å; R405-R409 VanDerWaalsContact O-N 3.12Å; R405-V444 HydrophobicContact CB-CG2 3.98Å |
| 406 | A | 95.2 | Very high | 88.1 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.033 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -40.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | E317 I320 K402 V403 R404 R409 A410 | E317-A406 HydrophobicContact CG-CB 4.06Å; I320-A406 HydrophobicContact CB-CB 3.96Å; I320-A406 VanDerWaalsContact CG2-C 3.42Å; I320-A406 HydrophobicContact CG2-CB 3.69Å; I320-A406 WeakPolarHBondContact CG2-O 3.42Å; K402-A406 WeakPolarHBondContact O-CB 3.42Å; K402-A406 PolarHBondContact O-N 2.93Å; V403-A406 PolarHBondContact O-N 3.47Å; R404-A406 PolarHBondContact O-N 3.26Å; A406-R409 PolarHBondContact O-N 3.04Å; A406-A410 WeakPolarHBondContact O-CB 3.28Å; A406-A410 PolarHBondContact O-N 3.16Å |
| 407 | A | 96 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I320 L345 R348 L349 V403 R404 R405 R409 A410 L411 | I320-A407 HydrophobicContact CD1-CB 4.37Å; L345-A407 HydrophobicContact CD2-CB 4.5Å; R348-A407 HydrophobicContact CB-CB 4.17Å; L349-A407 HydrophobicContact CB-CB 4.03Å; V403-A407 WeakPolarHBondContact O-CB 3.4Å; V403-A407 PolarHBondContact O-N 3.17Å; R404-A407 WeakPolarHBondContact O-CB 3.44Å; R404-A407 PolarHBondContact O-N 3.01Å; R405-A407 VanDerWaalsContact C-N 3.31Å; R405-A407 PolarHBondContact O-N 3.3Å; A407-R409 VanDerWaalsContact C-N 3.34Å; A407-R409 PolarHBondContact O-N 3.41Å; A407-A410 PolarHBondContact O-N 3.19Å; A407-L411 WeakPolarHBondContact O-CG 3.42Å; A407-L411 PolarHBondContact O-N 3.4Å |
| 408 | A | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.6 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L349 R404 R405 L411 E412 I448 | L349-A408 HydrophobicContact CD1-CB 4.13Å; R404-A408 PolarHBondContact O-N 3.17Å; R405-A408 PolarHBondContact O-N 3.21Å; A408-L411 PolarHBondContact O-N 2.87Å; A408-E412 PolarHBondContact O-N 3.44Å; A408-I448 HydrophobicContact CB-CG1 4.19Å |
| 409 | R | 96.1 | Very high | 90.4 | Very high | 124 Ų | 124 | 22.9 Ų | 22.9 | 47% | 0.468 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -68.6 | -36.2 | 176.9 | -71.5 | -173.1 | 64.2 | 143.4 | 8.4 | 113.3 | E324 R405 A406 A407 E412 A413 | E324-R409 IonicContact OE1-NE 3.99Å; E324-R409 IonicContact OE2-NE 2.63Å; R405-R409 PolarHBondContact O-N 3.45Å; R405-R409 VanDerWaalsContact O-N 3.12Å; A406-R409 PolarHBondContact O-N 3.04Å; A407-R409 VanDerWaalsContact C-N 3.34Å; A407-R409 PolarHBondContact O-N 3.41Å; R409-E412 PolarHBondContact O-N 3.23Å; R409-A413 PolarHBondContact O-N 3.41Å |
| 410 | A | 95.9 | Very high | 90 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.9 | -39 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I320 E324 L345 A406 A407 A413 I414 | I320-A410 HydrophobicContact CG2-CB 3.83Å; E324-A410 HydrophobicContact CB-CB 4.12Å; L345-A410 HydrophobicContact CD1-CB 3.67Å; L345-A410 HydrophobicContact CD2-CB 3.7Å; L345-A410 HydrophobicContact CG-CB 4.33Å; A406-A410 WeakPolarHBondContact O-CB 3.28Å; A406-A410 PolarHBondContact O-N 3.16Å; A407-A410 PolarHBondContact O-N 3.19Å; A410-A413 WeakPolarHBondContact O-CB 3.17Å; A410-A413 PolarHBondContact O-N 2.88Å; A410-I414 WeakPolarHBondContact O-CG1 3.4Å; A410-I414 PolarHBondContact O-N 3.03Å |
| 411 | L | 96.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 170.9 | -71.2 | 169.3 | 0 | 0 | 0 | 111.5 | L345 L349 A407 A408 A413 I414 I415 I429 | L345-L411 HydrophobicContact CB-CD1 4.45Å; L345-L411 HydrophobicContact CB-CD2 3.79Å; L345-L411 HydrophobicContact CB-CG 3.9Å; L345-L411 HydrophobicContact CD1-CD2 4.15Å; L345-L411 HydrophobicContact CD1-CG 4.31Å; L349-L411 HydrophobicContact CD2-CD1 3.74Å; A407-L411 WeakPolarHBondContact O-CG 3.42Å; A407-L411 PolarHBondContact O-N 3.4Å; A408-L411 PolarHBondContact O-N 2.87Å; L411-A413 VanDerWaalsContact C-N 3.27Å; L411-A413 PolarHBondContact O-N 3.28Å; L411-I414 WeakPolarHBondContact O-CB 3.13Å; L411-I414 PolarHBondContact O-N 3.44Å; L411-I414 VanDerWaalsContact O-N 3.12Å; L411-I415 WeakPolarHBondContact O-CG1 3.29Å; L411-I415 PolarHBondContact O-N 3.49Å; L411-I429 HydrophobicContact CD1-CG2 4.38Å; L411-I429 HydrophobicContact CD2-CD1 4Å; L411-I429 HydrophobicContact CD2-CG1 4.23Å; L411-I429 HydrophobicContact CD2-CG2 4.4Å |
| 412 | E | 95 | Very high | 89.7 | Confident | 28 Ų | 28 | 26.8 Ų | 26.8 | 13% | 0.131 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.2 | -41.2 | 173.6 | -174.7 | -179.3 | 158.3 | 0 | 0 | 111 | A408 R409 I414 I415 L416 S450 C451 A454 | A408-E412 PolarHBondContact O-N 3.44Å; R409-E412 PolarHBondContact O-N 3.23Å; E412-I414 VanDerWaalsContact C-N 3.35Å; E412-I414 PolarHBondContact O-N 2.85Å; E412-I415 PolarHBondContact O-N 3.44Å; E412-L416 HydrophobicContact CG-CD1 3.99Å; E412-L416 HydrophobicContact CG-CG 4.43Å; E412-L416 VanDerWaalsContact O-CG 3.31Å; E412-L416 WeakPolarHBondContact O-CG 3.29Å; E412-L416 PolarHBondContact O-N 2.91Å; E412-S450 VanDerWaalsContact CD-OG 3.29Å; E412-S450 PolarHBondContact OE1-OG 2.84Å; E412-S450 WeakPolarHBondContact OE2-CB 3.47Å; E412-S450 PolarHBondContact OE2-OG 3.44Å; E412-C451 HydrophobicContact CB-CB 3.93Å; E412-C451 HydrophobicContact CG-CB 4.5Å; E412-C451 PolarHBondContact N-SG 3.31Å; E412-C451 VanDerWaalsContact N-SG 3.43Å; E412-A454 HydrophobicContact CG-CB 4.03Å |
| 413 | A | 90.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E324 I327 R328 R409 A410 L411 L416 V417 | E324-A413 HydrophobicContact CG-CB 3.9Å; I327-A413 HydrophobicContact CG2-CB 3.95Å; R328-A413 HydrophobicContact CG-CB 3.8Å; R328-A413 VanDerWaalsContact CZ-CB 3.46Å; R409-A413 PolarHBondContact O-N 3.41Å; A410-A413 WeakPolarHBondContact O-CB 3.17Å; A410-A413 PolarHBondContact O-N 2.88Å; L411-A413 VanDerWaalsContact C-N 3.27Å; L411-A413 PolarHBondContact O-N 3.28Å; A413-L416 PolarHBondContact O-N 3.44Å; A413-V417 VanDerWaalsContact O-CB 3.27Å; A413-V417 WeakPolarHBondContact O-CB 3.23Å; A413-V417 WeakPolarHBondContact O-CG2 3.2Å; A413-V417 PolarHBondContact O-N 3.48Å; A413-V417 VanDerWaalsContact O-N 3.08Å |
| 414 | I | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 175.1 | -71.7 | 173.7 | 0 | 0 | 0 | 110.4 | I327 L338 I342 L345 A410 L411 E412 L416 V417 F418 F425 | I327-I414 HydrophobicContact CD1-CD1 4.11Å; I327-I414 HydrophobicContact CD1-CG1 3.92Å; I327-I414 HydrophobicContact CG1-CG1 4.37Å; I327-I414 HydrophobicContact CG2-CG1 3.8Å; L338-I414 HydrophobicContact CD1-CD1 3.94Å; L338-I414 HydrophobicContact CD1-CG1 4.07Å; L338-I414 HydrophobicContact CD1-CG2 3.92Å; I342-I414 HydrophobicContact CD1-CG2 4.45Å; I342-I414 HydrophobicContact CG1-CD1 3.99Å; I342-I414 HydrophobicContact CG1-CG2 4.44Å; L345-I414 HydrophobicContact CD1-CD1 3.61Å; A410-I414 WeakPolarHBondContact O-CG1 3.4Å; A410-I414 PolarHBondContact O-N 3.03Å; L411-I414 WeakPolarHBondContact O-CB 3.13Å; L411-I414 PolarHBondContact O-N 3.44Å; L411-I414 VanDerWaalsContact O-N 3.12Å; E412-I414 VanDerWaalsContact C-N 3.35Å; E412-I414 PolarHBondContact O-N 2.85Å; I414-L416 VanDerWaalsContact C-N 3.35Å; I414-L416 PolarHBondContact O-N 3.44Å; I414-V417 PolarHBondContact O-N 2.89Å; I414-F418 HydrophobicContact CB-CD2 4.45Å; I414-F418 HydrophobicContact CG2-CD2 4.01Å; I414-F418 WeakPolarHBondContact O-CD2 3.43Å; I414-F418 PolarHBondContact O-N 3.22Å; I414-F425 HydrophobicContact CG2-CE1 3.78Å; I414-F425 HydrophobicContact CG2-CE2 4.42Å; I414-F425 HydrophobicContact CG2-CZ 3.59Å |
| 415 | I | 89.8 | Confident | 89.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | -177.8 | -67.6 | 166.5 | 0 | 0 | 0 | 111.4 | L411 E412 V417 F425 I429 C451 A454 L455 Q458 | L411-I415 WeakPolarHBondContact O-CG1 3.29Å; L411-I415 PolarHBondContact O-N 3.49Å; E412-I415 PolarHBondContact O-N 3.44Å; I415-V417 VanDerWaalsContact C-N 3.33Å; I415-V417 PolarHBondContact O-N 2.89Å; I415-F425 HydrophobicContact CB-CD2 4.45Å; I415-F425 HydrophobicContact CG1-CD2 3.95Å; I415-F425 HydrophobicContact CG1-CE2 4.33Å; I415-F425 HydrophobicContact CG1-CG 4.33Å; I415-I429 HydrophobicContact CD1-CG2 4.4Å; I415-I429 HydrophobicContact CG1-CD1 4.33Å; I415-C451 VanDerWaalsContact CD1-SG 3.52Å; I415-A454 HydrophobicContact CG2-CB 4.4Å; I415-L455 HydrophobicContact CD1-CB 4.25Å; I415-L455 HydrophobicContact CD1-CD1 4.5Å; I415-L455 HydrophobicContact CG1-CD1 4.46Å; I415-L455 HydrophobicContact CG2-CB 4.08Å; I415-L455 HydrophobicContact CG2-CD1 3.88Å; I415-Q458 PolarHBondContact O-NE2 3.44Å; I415-Q458 PolarHBondContact O-OE1 3.32Å |
| 416 | L | 83.5 | Confident | 89.4 | Confident | 61 Ų | 61 | 26.2 Ų | 26.2 | 32% | 0.319 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -70.8 | -27.3 | -179.6 | -69.9 | 172 | 0 | 0 | 0 | 113.4 | E412 A413 I414 A454 | E412-L416 HydrophobicContact CG-CD1 3.99Å; E412-L416 HydrophobicContact CG-CG 4.43Å; E412-L416 VanDerWaalsContact O-CG 3.31Å; E412-L416 WeakPolarHBondContact O-CG 3.29Å; E412-L416 PolarHBondContact O-N 2.91Å; A413-L416 PolarHBondContact O-N 3.44Å; I414-L416 VanDerWaalsContact C-N 3.35Å; I414-L416 PolarHBondContact O-N 3.44Å; L416-A454 HydrophobicContact CD2-CB 3.99Å; L416-A454 HydrophobicContact CG-CB 4.28Å |
| 417 | V | 80.7 | Confident | 89.2 | Confident | 30 Ų | 30 | 30.4 Ų | 30.4 | 18% | 0.182 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -88 | -48.4 | -176.8 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | P331 A413 I414 I415 T419 R1410 | P331-V417 HydrophobicContact CB-CG1 3.51Å; P331-V417 HydrophobicContact CG-CG1 4.34Å; A413-V417 VanDerWaalsContact O-CB 3.27Å; A413-V417 WeakPolarHBondContact O-CB 3.23Å; A413-V417 WeakPolarHBondContact O-CG2 3.2Å; A413-V417 PolarHBondContact O-N 3.48Å; A413-V417 VanDerWaalsContact O-N 3.08Å; I414-V417 PolarHBondContact O-N 2.89Å; I415-V417 VanDerWaalsContact C-N 3.33Å; I415-V417 PolarHBondContact O-N 2.89Å; V417-T419 PolarHBondContact O-N 3.1Å; V417-R1410 PolarHBondContact O-NH1 2.94Å |
| 418 | F | 83.2 | Confident | 88.9 | Confident | 7 Ų | 7 | 32.9 Ų | 32.9 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | trans | -101.2 | 66.5 | -170.5 | -62.9 | -78.1 | 0 | 0 | 0 | 112.4 | I327 P331 I334 L338 I414 E420 M421 F425 | I327-F418 HydrophobicContact CG2-CE2 4.34Å; P331-F418 HydrophobicContact CB-CE1 4.19Å; P331-F418 HydrophobicContact CB-CZ 4.09Å; I334-F418 HydrophobicContact CB-CZ 4.44Å; I334-F418 HydrophobicContact CG2-CE2 4.4Å; I334-F418 HydrophobicContact CG2-CZ 4.04Å; L338-F418 HydrophobicContact CD1-CD2 4.03Å; L338-F418 HydrophobicContact CD1-CE2 3.76Å; L338-F418 HydrophobicContact CD1-CZ 4.29Å; L338-F418 HydrophobicContact CD2-CB 4.45Å; L338-F418 HydrophobicContact CD2-CD1 4.02Å; L338-F418 HydrophobicContact CD2-CD2 3.96Å; L338-F418 HydrophobicContact CD2-CE1 4.21Å; L338-F418 HydrophobicContact CD2-CE2 4.15Å; L338-F418 HydrophobicContact CD2-CG 3.89Å; L338-F418 HydrophobicContact CD2-CZ 4.27Å; I414-F418 HydrophobicContact CB-CD2 4.45Å; I414-F418 HydrophobicContact CG2-CD2 4.01Å; I414-F418 WeakPolarHBondContact O-CD2 3.43Å; I414-F418 PolarHBondContact O-N 3.22Å; F418-E420 VanDerWaalsContact C-N 3.32Å; F418-E420 VanDerWaalsContact C-OE2 3.32Å; F418-E420 PolarHBondContact O-N 3.23Å; F418-M421 PolarHBondContact O-N 3.46Å; F418-M421 VanDerWaalsContact O-N 3.11Å; F418-F425 HydrophobicContact CB-CE2 4.34Å; F418-F425 HydrophobicContact CB-CZ 3.91Å; F418-F425 WeakPolarHBondContact O-CE2 3.33Å | ||
| 419 | T | 76.7 | Confident | 88.8 | Confident | 19 Ų | 19 | 32.9 Ų | 32.9 | 12% | 0.117 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -71.9 | -24.8 | -168.4 | 64.4 | 0 | 0 | 0 | 0 | 115.1 | V417 M421 T422 Q458 R1410 | V417-T419 PolarHBondContact O-N 3.1Å; T419-M421 PolarHBondContact O-N 3.4Å; T419-T422 WeakPolarHBondContact O-CB 3.43Å; T419-T422 PolarHBondContact O-N 3.27Å; T419-T422 PolarHBondContact O-OG1 3.03Å; T419-Q458 VanDerWaalsContact CB-NE2 3.29Å; T419-Q458 HydrophobicContact CG2-CG 4.27Å; T419-Q458 VanDerWaalsContact CG2-NE2 3.26Å; T419-Q458 VanDerWaalsContact CG2-OE1 3.25Å; T419-R1410 PolarHBondContact OG1-NH2 3.05Å |
| 420 | E | 74.1 | Confident | 88.7 | Confident | 108 Ų | 108 | 27 Ų | 27 | 51% | 0.505 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -61.4 | -20.2 | 171.7 | 66 | -76.2 | 179.4 | 0 | 0 | 112.7 | F418 | F418-E420 VanDerWaalsContact C-N 3.32Å; F418-E420 VanDerWaalsContact C-OE2 3.32Å; F418-E420 PolarHBondContact O-N 3.23Å |
| 421 | M | 83.9 | Confident | 88.6 | Confident | 49 Ų | 49 | 29.7 Ų | 29.7 | 24% | 0.241 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -97.3 | 10 | 179 | -63.5 | -169.7 | 69.3 | 0 | 0 | 113.8 | L338 F418 T419 A423 N424 F425 | L338-M421 HydrophobicContact CD2-CE 4.26Å; L338-M421 HydrophobicContact CD2-SD 3.43Å; L338-M421 WeakPolarHBondContact CD2-SD 3.31Å; F418-M421 PolarHBondContact O-N 3.46Å; F418-M421 VanDerWaalsContact O-N 3.11Å; T419-M421 PolarHBondContact O-N 3.4Å; M421-A423 VanDerWaalsContact C-N 3.27Å; M421-A423 PolarHBondContact O-N 3.15Å; M421-A423 VanDerWaalsContact O-N 3.16Å; M421-N424 HydrophobicContact CE-CB 4.43Å; M421-N424 WeakPolarHBondContact O-CA 3.48Å; M421-N424 WeakPolarHBondContact O-CB 3.38Å; M421-N424 PolarHBondContact O-N 3.41Å; M421-F425 HydrophobicContact CB-CD1 4.47Å; M421-F425 HydrophobicContact CB-CD2 4.48Å; M421-F425 HydrophobicContact CB-CE1 3.85Å; M421-F425 HydrophobicContact CB-CE2 3.86Å; M421-F425 HydrophobicContact CB-CZ 3.51Å; M421-F425 WeakPolarHBondContact O-CD2 3.48Å; M421-F425 WeakPolarHBondContact O-CG 3.13Å; M421-F425 PolarHBondContact O-N 3.11Å |
| 422 | T | 85.8 | Confident | 88.4 | Confident | 10 Ų | 10 | 30.9 Ų | 30.9 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -51.9 | -42.3 | -176.2 | -59.3 | 0 | 0 | 0 | 0 | 113 | T419 N424 F425 Y426 L455 Q458 A511 | T419-T422 WeakPolarHBondContact O-CB 3.43Å; T419-T422 PolarHBondContact O-N 3.27Å; T419-T422 PolarHBondContact O-OG1 3.03Å; T422-N424 PolarHBondContact O-N 3.35Å; T422-F425 PolarHBondContact O-N 3.44Å; T422-Y426 HydrophobicContact CG2-CE2 4.17Å; T422-Y426 WeakPolarHBondContact O-CD2 3.35Å; T422-Y426 PolarHBondContact O-N 2.86Å; T422-L455 HydrophobicContact CG2-CD1 4Å; T422-Q458 HydrophobicContact CG2-CB 4.36Å; T422-Q458 HydrophobicContact CG2-CG 4.44Å; T422-Q458 PolarHBondContact OG1-NE2 2.99Å; T422-A511 HydrophobicContact CG2-CB 3.91Å |
| 423 | A | 87.8 | Confident | 88.3 | Confident | 21 Ų | 21 | 29.5 Ų | 29.5 | 17% | 0.174 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.7 | -37.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | M421 Y426 N509 A511 | M421-A423 VanDerWaalsContact C-N 3.27Å; M421-A423 PolarHBondContact O-N 3.15Å; M421-A423 VanDerWaalsContact O-N 3.16Å; A423-Y426 PolarHBondContact O-N 3.17Å; A423-N509 VanDerWaalsContact CB-O 3.27Å; A423-N509 WeakPolarHBondContact CB-O 3.17Å; A423-A511 HydrophobicContact CB-CB 4.32Å |
| 424 | N | 90.2 | Very high | 88.3 | Confident | 84 Ų | 84 | 30 Ų | 30 | 45% | 0.449 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -69.4 | -34.4 | 177.3 | -67.7 | -15.1 | 0 | 0 | 0 | 111.5 | M421 T422 Y426 I427 S428 | M421-N424 HydrophobicContact CE-CB 4.43Å; M421-N424 WeakPolarHBondContact O-CA 3.48Å; M421-N424 WeakPolarHBondContact O-CB 3.38Å; M421-N424 PolarHBondContact O-N 3.41Å; T422-N424 PolarHBondContact O-N 3.35Å; N424-Y426 PolarHBondContact O-N 2.78Å; N424-I427 WeakPolarHBondContact O-CA 3.45Å; N424-I427 WeakPolarHBondContact O-CB 3.2Å; N424-I427 PolarHBondContact O-N 3.46Å; N424-S428 PolarHBondContact O-N 3.21Å; N424-S428 PolarHBondContact O-OG 3.47Å; N424-S428 VanDerWaalsContact O-OG 3.1Å |
| 425 | F | 93.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -27.5 | 177 | -60.1 | -32.5 | 0 | 0 | 0 | 113.3 | I342 I414 I415 F418 M421 T422 I427 I429 A430 L455 | I342-F425 HydrophobicContact CD1-CD1 4.49Å; I342-F425 HydrophobicContact CD1-CE1 3.95Å; I414-F425 HydrophobicContact CG2-CE1 3.78Å; I414-F425 HydrophobicContact CG2-CE2 4.42Å; I414-F425 HydrophobicContact CG2-CZ 3.59Å; I415-F425 HydrophobicContact CB-CD2 4.45Å; I415-F425 HydrophobicContact CG1-CD2 3.95Å; I415-F425 HydrophobicContact CG1-CE2 4.33Å; I415-F425 HydrophobicContact CG1-CG 4.33Å; F418-F425 HydrophobicContact CB-CE2 4.34Å; F418-F425 HydrophobicContact CB-CZ 3.91Å; F418-F425 WeakPolarHBondContact O-CE2 3.33Å; M421-F425 HydrophobicContact CB-CD1 4.47Å; M421-F425 HydrophobicContact CB-CD2 4.48Å; M421-F425 HydrophobicContact CB-CE1 3.85Å; M421-F425 HydrophobicContact CB-CE2 3.86Å; M421-F425 HydrophobicContact CB-CZ 3.51Å; M421-F425 WeakPolarHBondContact O-CD2 3.48Å; M421-F425 WeakPolarHBondContact O-CG 3.13Å; M421-F425 PolarHBondContact O-N 3.11Å; T422-F425 PolarHBondContact O-N 3.44Å; F425-I427 PolarHBondContact O-N 3.11Å; F425-I429 HydrophobicContact CB-CD1 4.19Å; F425-I429 HydrophobicContact CD1-CD1 3.48Å; F425-I429 VanDerWaalsContact CD1-CD1 3.48Å; F425-I429 HydrophobicContact CD1-CG1 4.31Å; F425-I429 HydrophobicContact CE1-CD1 4.06Å; F425-I429 HydrophobicContact CG-CD1 3.96Å; F425-I429 WeakPolarHBondContact O-CA 3.36Å; F425-I429 WeakPolarHBondContact O-CB 3.38Å; F425-I429 PolarHBondContact O-N 3.38Å; F425-A430 PolarHBondContact O-N 2.95Å; F425-L455 HydrophobicContact CB-CD1 3.75Å; F425-L455 HydrophobicContact CB-CD2 4.4Å; F425-L455 HydrophobicContact CD2-CD1 4.2Å; F425-L455 HydrophobicContact CG-CD1 4.49Å |
| 426 | Y | 93.6 | Very high | 88.1 | Confident | 5 Ų | 5 | 35.6 Ų | 35.6 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.1 | -20.5 | 168.8 | -76.5 | -64.3 | 0 | 0 | 0 | 113.4 | T422 A423 N424 A430 P431 L455 T459 A511 R514 L515 L518 | T422-Y426 HydrophobicContact CG2-CE2 4.17Å; T422-Y426 WeakPolarHBondContact O-CD2 3.35Å; T422-Y426 PolarHBondContact O-N 2.86Å; A423-Y426 PolarHBondContact O-N 3.17Å; N424-Y426 PolarHBondContact O-N 2.78Å; Y426-A430 HydrophobicContact CD1-CB 3.79Å; Y426-A430 HydrophobicContact CE1-CB 4.46Å; Y426-P431 WeakPolarHBondContact O-CD 3.27Å; Y426-L455 HydrophobicContact CD1-CD2 3.86Å; Y426-L455 HydrophobicContact CD1-CG 4.49Å; Y426-L455 HydrophobicContact CE1-CD2 3.62Å; Y426-L455 HydrophobicContact CE1-CG 3.89Å; Y426-L455 HydrophobicContact CE2-CD1 4.39Å; Y426-L455 HydrophobicContact CE2-CG 4.19Å; Y426-L455 HydrophobicContact CG-CD2 4.39Å; Y426-L455 PolarHBondContact OH-O 2.88Å; Y426-T459 HydrophobicContact CE2-CG2 4.14Å; Y426-T459 VanDerWaalsContact CE2-OG1 3.26Å; Y426-T459 WeakPolarHBondContact CE2-OG1 3.47Å; Y426-T459 WeakPolarHBondContact OH-CB 3.48Å; Y426-T459 PolarHBondContact OH-OG1 3.36Å; Y426-A511 HydrophobicContact CD2-CB 4.24Å; Y426-A511 HydrophobicContact CE2-CB 4.04Å; Y426-R514 HydrophobicContact CD2-CB 4.37Å; Y426-R514 HydrophobicContact CG-CB 4.25Å; Y426-L515 HydrophobicContact CD1-CB 4.3Å; Y426-L515 HydrophobicContact CD1-CD1 4.34Å; Y426-L515 HydrophobicContact CE1-CB 3.89Å; Y426-L515 HydrophobicContact CE1-CD1 3.55Å; Y426-L515 HydrophobicContact CE1-CG 4.18Å; Y426-L515 HydrophobicContact CE2-CB 4.12Å; Y426-L518 HydrophobicContact CD1-CD1 4.07Å; Y426-L518 WeakPolarHBondContact O-CD1 3.36Å |
| 427 | I | 91.3 | Very high | 88.2 | Confident | 91 Ų | 91 | 32.8 Ų | 32.8 | 47% | 0.467 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -91.8 | -45.4 | 176.8 | -56.8 | 171.4 | 0 | 0 | 0 | 110.1 | N424 F425 | N424-I427 WeakPolarHBondContact O-CA 3.45Å; N424-I427 WeakPolarHBondContact O-CB 3.2Å; N424-I427 PolarHBondContact O-N 3.46Å; F425-I427 PolarHBondContact O-N 3.11Å |
| 428 | S | 90.4 | Very high | 88.3 | Confident | 53 Ų | 53 | 35 Ų | 35 | 37% | 0.371 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -92.3 | -30.9 | -170.2 | 58.2 | 0 | 0 | 0 | 0 | 115.2 | N424 | N424-S428 PolarHBondContact O-N 3.21Å; N424-S428 PolarHBondContact O-OG 3.47Å; N424-S428 VanDerWaalsContact O-OG 3.1Å |
| 429 | I | 94.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -48.8 | -170.9 | -59.7 | 173.3 | 0 | 0 | 0 | 111.3 | I342 L411 I415 F425 P431 L432 L433 | I342-I429 HydrophobicContact CG2-CD1 4.4Å; I342-I429 HydrophobicContact CG2-CG1 4Å; L411-I429 HydrophobicContact CD1-CG2 4.38Å; L411-I429 HydrophobicContact CD2-CD1 4Å; L411-I429 HydrophobicContact CD2-CG1 4.23Å; L411-I429 HydrophobicContact CD2-CG2 4.4Å; I415-I429 HydrophobicContact CD1-CG2 4.4Å; I415-I429 HydrophobicContact CG1-CD1 4.33Å; F425-I429 HydrophobicContact CB-CD1 4.19Å; F425-I429 HydrophobicContact CD1-CD1 3.48Å; F425-I429 VanDerWaalsContact CD1-CD1 3.48Å; F425-I429 HydrophobicContact CD1-CG1 4.31Å; F425-I429 HydrophobicContact CE1-CD1 4.06Å; F425-I429 HydrophobicContact CG-CD1 3.96Å; F425-I429 WeakPolarHBondContact O-CA 3.36Å; F425-I429 WeakPolarHBondContact O-CB 3.38Å; F425-I429 PolarHBondContact O-N 3.38Å; I429-P431 VanDerWaalsContact C-CD 3.49Å; I429-L432 PolarHBondContact O-N 3.22Å; I429-L432 VanDerWaalsContact O-N 3.15Å; I429-L433 HydrophobicContact CG2-CD1 3.72Å; I429-L433 HydrophobicContact CG2-CD2 4.47Å; I429-L433 HydrophobicContact CG2-CG 3.86Å; I429-L433 PolarHBondContact O-N 2.83Å |
| 430 | A | 93.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.5 | -42 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | F425 Y426 L432 L433 I434 L455 L518 | F425-A430 PolarHBondContact O-N 2.95Å; Y426-A430 HydrophobicContact CD1-CB 3.79Å; Y426-A430 HydrophobicContact CE1-CB 4.46Å; A430-L432 VanDerWaalsContact C-N 3.26Å; A430-L432 PolarHBondContact O-N 3.4Å; A430-L433 PolarHBondContact O-N 3.21Å; A430-I434 WeakPolarHBondContact O-CD1 3.32Å; A430-I434 VanDerWaalsContact O-CG1 3.23Å; A430-I434 WeakPolarHBondContact O-CG1 3.46Å; A430-I434 PolarHBondContact O-N 2.68Å; A430-L455 HydrophobicContact CB-CD2 3.92Å; A430-L518 HydrophobicContact CB-CD1 3.79Å |
| 431 | P | 93.4 | Very high | 89.2 | Confident | 55 Ų | 55 | 34.9 Ų | 34.9 | 36% | 0.357 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.5 | -38.3 | 179 | -23.9 | 35.6 | 0 | 0 | 0 | 112.2 | Y426 I429 I434 K435 L518 | Y426-P431 WeakPolarHBondContact O-CD 3.27Å; I429-P431 VanDerWaalsContact C-CD 3.49Å; P431-I434 PolarHBondContact O-N 2.93Å; P431-K435 WeakPolarHBondContact O-CB 3.42Å; P431-K435 PolarHBondContact O-N 3.09Å; P431-L518 HydrophobicContact CG-CD1 4.38Å; P431-L518 HydrophobicContact CG-CD2 4.28Å |
| 432 | L | 92.3 | Very high | 89.1 | Confident | 25 Ų | 25 | 35.5 Ų | 35.5 | 13% | 0.131 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.2 | -42.7 | 178.1 | -176.4 | 148 | 0 | 0 | 0 | 111.6 | C346 L349 Q350 I429 A430 I434 K435 Q436 | C346-L432 HydrophobicContact CB-CD1 3.72Å; L349-L432 HydrophobicContact CB-CD2 4.17Å; L349-L432 HydrophobicContact CD2-CD2 3.31Å; L349-L432 HydrophobicContact CG-CD2 3.83Å; Q350-L432 HydrophobicContact CG-CD1 3.88Å; Q350-L432 HydrophobicContact CG-CG 4.31Å; Q350-L432 VanDerWaalsContact NE2-CD1 3.27Å; I429-L432 PolarHBondContact O-N 3.22Å; I429-L432 VanDerWaalsContact O-N 3.15Å; A430-L432 VanDerWaalsContact C-N 3.26Å; A430-L432 PolarHBondContact O-N 3.4Å; L432-I434 VanDerWaalsContact C-N 3.29Å; L432-I434 PolarHBondContact O-N 3.19Å; L432-K435 PolarHBondContact O-N 3.4Å; L432-Q436 HydrophobicContact CD2-CG 4.33Å; L432-Q436 WeakPolarHBondContact O-CB 3.36Å; L432-Q436 WeakPolarHBondContact O-CG 3.07Å; L432-Q436 PolarHBondContact O-N 3.15Å |
| 433 | L | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.3 | -44.5 | 173.4 | -66.7 | 177.1 | 0 | 0 | 0 | 111 | L349 I429 A430 Q436 F437 I448 C451 L452 | L349-L433 HydrophobicContact CD2-CD2 3.85Å; I429-L433 HydrophobicContact CG2-CD1 3.72Å; I429-L433 HydrophobicContact CG2-CD2 4.47Å; I429-L433 HydrophobicContact CG2-CG 3.86Å; I429-L433 PolarHBondContact O-N 2.83Å; A430-L433 PolarHBondContact O-N 3.21Å; L433-Q436 CarbonylContact O-C 3.58Å; L433-Q436 PolarHBondContact O-N 3.41Å; L433-F437 WeakPolarHBondContact O-CD1 3.49Å; L433-F437 WeakPolarHBondContact O-CE1 3.3Å; L433-F437 PolarHBondContact O-N 3.49Å; L433-I448 HydrophobicContact CB-CG2 4.17Å; L433-I448 HydrophobicContact CD2-CG2 4.04Å; L433-I448 WeakPolarHBondContact O-CG2 3.32Å; L433-C451 HydrophobicContact CD1-CB 4.33Å; L433-C451 HydrophobicContact CD2-CB 4.4Å; L433-L452 HydrophobicContact CD1-CB 4.31Å; L433-L452 HydrophobicContact CD1-CD1 4.43Å |
| 434 | I | 90.5 | Very high | 89.3 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.7 | -42.9 | 179.6 | -63.9 | 161.9 | 0 | 0 | 0 | 111.1 | A430 P431 L432 Q436 F437 L518 T521 L522 | A430-I434 WeakPolarHBondContact O-CD1 3.32Å; A430-I434 VanDerWaalsContact O-CG1 3.23Å; A430-I434 WeakPolarHBondContact O-CG1 3.46Å; A430-I434 PolarHBondContact O-N 2.68Å; P431-I434 PolarHBondContact O-N 2.93Å; L432-I434 VanDerWaalsContact C-N 3.29Å; L432-I434 PolarHBondContact O-N 3.19Å; I434-Q436 PolarHBondContact O-N 2.9Å; I434-F437 WeakPolarHBondContact O-CB 3.33Å; I434-F437 WeakPolarHBondContact O-CG 3.35Å; I434-F437 PolarHBondContact O-N 3.3Å; I434-L518 HydrophobicContact CD1-CB 4.46Å; I434-L518 HydrophobicContact CD1-CD1 4.49Å; I434-T521 HydrophobicContact CG2-CG2 3.82Å; I434-L522 HydrophobicContact CD1-CB 3.86Å; I434-L522 HydrophobicContact CD1-CD1 4.2Å; I434-L522 HydrophobicContact CG1-CB 4.38Å; I434-L522 HydrophobicContact CG1-CD1 3.92Å |
| 435 | K | 88.7 | Confident | 89.3 | Confident | 110 Ų | 110 | 33 Ų | 33 | 48% | 0.478 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.5 | -39.5 | 175 | -175.5 | 174.4 | -179.9 | 170.8 | 0 | 111.3 | P431 L432 F437 | P431-K435 WeakPolarHBondContact O-CB 3.42Å; P431-K435 PolarHBondContact O-N 3.09Å; L432-K435 PolarHBondContact O-N 3.4Å; K435-F437 PolarHBondContact O-N 3.41Å |
| 436 | Q | 88.6 | Confident | 89 | Confident | 6 Ų | 6 | 35.4 Ų | 35.4 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -80.6 | 11.6 | -179.4 | -67.6 | -64.9 | -5.2 | 0 | 0 | 114.7 | L432 L433 I434 N438 E439 I448 | L432-Q436 HydrophobicContact CD2-CG 4.33Å; L432-Q436 WeakPolarHBondContact O-CB 3.36Å; L432-Q436 WeakPolarHBondContact O-CG 3.07Å; L432-Q436 PolarHBondContact O-N 3.15Å; L433-Q436 CarbonylContact O-C 3.58Å; L433-Q436 PolarHBondContact O-N 3.41Å; I434-Q436 PolarHBondContact O-N 2.9Å; Q436-N438 PolarHBondContact O-N 2.89Å; Q436-E439 WeakPolarHBondContact O-CB 3.4Å; Q436-E439 PolarHBondContact O-N 3.49Å; Q436-E439 VanDerWaalsContact O-N 3.13Å; Q436-I448 HydrophobicContact CB-CD1 3.79Å; Q436-I448 WeakPolarHBondContact O-CD1 3.41Å |
| 437 | F | 86.3 | Confident | 88.9 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -62.8 | -24.8 | 170.4 | -81.4 | 19.5 | 0 | 0 | 0 | 112.4 | L433 I434 K435 E439 R445 I448 F449 L452 L522 G525 I526 Q529 | L433-F437 WeakPolarHBondContact O-CD1 3.49Å; L433-F437 WeakPolarHBondContact O-CE1 3.3Å; L433-F437 PolarHBondContact O-N 3.49Å; I434-F437 WeakPolarHBondContact O-CB 3.33Å; I434-F437 WeakPolarHBondContact O-CG 3.35Å; I434-F437 PolarHBondContact O-N 3.3Å; K435-F437 PolarHBondContact O-N 3.41Å; F437-E439 PolarHBondContact O-N 3.24Å; F437-R445 WeakPolarHBondContact O-CD 3.47Å; F437-I448 HydrophobicContact CD1-CG2 4.04Å; F437-I448 HydrophobicContact CE1-CG2 4.07Å; F437-F449 HydrophobicContact CD1-CD1 4.22Å; F437-F449 AromaticContact CD1-CE1 3.74Å; F437-F449 HydrophobicContact CD1-CE1 3.74Å; F437-F449 AromaticContact CD2-CE1 3.96Å; F437-F449 HydrophobicContact CD2-CE1 3.96Å; F437-F449 AromaticContact CE1-CD1 3.89Å; F437-F449 HydrophobicContact CE1-CD1 3.89Å; F437-F449 AromaticContact CE1-CE1 3.81Å; F437-F449 HydrophobicContact CE1-CE1 3.81Å; F437-F449 HydrophobicContact CE2-CE1 4.03Å; F437-F449 AromaticContact CG-CE1 3.84Å; F437-F449 HydrophobicContact CG-CE1 3.84Å; F437-F449 HydrophobicContact CZ-CD1 4.06Å; F437-F449 AromaticContact CZ-CE1 3.96Å; F437-F449 HydrophobicContact CZ-CE1 3.96Å; F437-L452 HydrophobicContact CE1-CD2 4Å; F437-L452 HydrophobicContact CZ-CD2 3.52Å; F437-L522 HydrophobicContact CE2-CD1 4.2Å; F437-L522 HydrophobicContact CZ-CD1 3.95Å; F437-G525 VanDerWaalsContact CD2-C 3.47Å; F437-I526 HydrophobicContact CE2-CG1 4.01Å; F437-Q529 HydrophobicContact CD2-CG 4.33Å; F437-Q529 PolarHBondContact O-NE2 3.38Å |
| 438 | N | 82.4 | Confident | 89 | Confident | 78 Ų | 78 | 31.8 Ų | 31.8 | 42% | 0.417 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -78.7 | 4.9 | 176.6 | -64.4 | -19.2 | 0 | 0 | 0 | 113.9 | Y357 Q436 R440 | Y357-N438 HydrophobicContact CE1-CB 4.46Å; Q436-N438 PolarHBondContact O-N 2.89Å; N438-R440 PolarHBondContact O-N 3.47Å |
| 439 | E | 85.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -49.2 | 125.9 | 177.5 | 169.8 | 59.2 | -111.9 | 0 | 0 | 111.7 | R404 Q436 F437 E441 V444 R445 I448 | R404-E439 WeakPolarHBondContact CD-OE2 3.45Å; R404-E439 IonicContact CZ-OE1 3.79Å; R404-E439 IonicContact CZ-OE2 2.73Å; R404-E439 IonicContact NE-OE1 3Å; R404-E439 PolarHBondContact NE-OE1 2.99Å; R404-E439 IonicContact NE-OE2 3.91Å; R404-E439 PolarHBondContact NE-OE2 3.47Å; R404-E439 IonicContact NH2-OE1 3.5Å; R404-E439 PolarHBondContact NH2-OE1 2.85Å; R404-E439 IonicContact NH2-OE2 3.07Å; Q436-E439 WeakPolarHBondContact O-CB 3.4Å; Q436-E439 PolarHBondContact O-N 3.49Å; Q436-E439 VanDerWaalsContact O-N 3.13Å; F437-E439 PolarHBondContact O-N 3.24Å; E439-E441 VanDerWaalsContact C-N 3.34Å; E439-E441 HydrophobicContact CG-CB 4.45Å; E439-E441 PolarHBondContact O-N 3.21Å; E439-E441 PolarHBondContact OE1-N 3.35Å; E439-E441 VanDerWaalsContact OE1-N 3.14Å; E439-V444 HydrophobicContact CG-CB 3.61Å; E439-V444 HydrophobicContact CG-CG1 3.64Å; E439-R445 HydrophobicContact CB-CB 4.37Å; E439-R445 HydrophobicContact CB-CG 4.49Å; E439-R445 HydrophobicContact CG-CB 4.36Å; E439-R445 PolarHBondContact O-NE 3.47Å; E439-R445 PolarHBondContact O-NH2 2.89Å; E439-I448 HydrophobicContact CB-CD1 4.09Å; E439-I448 HydrophobicContact CG-CD1 4.36Å | ||
| 440 | R | 82.3 | Confident | 89 | Confident | 77 Ų | 77 | 31.6 Ų | 31.6 | 29% | 0.291 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -67 | -34 | -175.3 | 72.8 | -171 | -173.4 | -169.2 | 6.2 | 113.1 | D352 N354 D398 N438 R445 | D352-R440 IonicContact OD1-CZ 3.08Å; D352-R440 IonicContact OD1-NH2 2.73Å; N354-R440 VanDerWaalsContact CB-NH2 3.32Å; N354-R440 PolarHBondContact O-NH1 2.88Å; D398-R440 IonicContact OD2-CZ 3.18Å; D398-R440 IonicContact OD2-NH2 3.52Å; D398-R440 PolarHBondContact OD2-NH2 3.47Å; N438-R440 PolarHBondContact O-N 3.47Å; R440-R445 PolarHBondContact O-NH2 3.26Å |
| 441 | E | 84.9 | Confident | 89 | Confident | 54 Ų | 54 | 31.6 Ų | 31.6 | 25% | 0.252 | 16% | 0.162 | S | C | . | . | trans | -82.8 | 119.8 | -175 | -74.3 | -64.4 | 151.4 | 0 | 0 | 113.4 | W401 E439 S443 V444 R445 | W401-E441 HydrophobicContact CB-CB 4.25Å; W401-E441 HydrophobicContact CB-CG 3.6Å; W401-E441 HydrophobicContact CG-CG 4.15Å; E439-E441 VanDerWaalsContact C-N 3.34Å; E439-E441 HydrophobicContact CG-CB 4.45Å; E439-E441 PolarHBondContact O-N 3.21Å; E439-E441 PolarHBondContact OE1-N 3.35Å; E439-E441 VanDerWaalsContact OE1-N 3.14Å; E441-S443 VanDerWaalsContact C-N 3.29Å; E441-S443 PolarHBondContact O-N 3.1Å; E441-V444 HydrophobicContact CB-CB 4.06Å; E441-V444 HydrophobicContact CB-CG2 3.66Å; E441-V444 PolarHBondContact O-N 3.05Å; E441-R445 WeakPolarHBondContact O-CB 3.49Å; E441-R445 PolarHBondContact O-N 3.44Å | ||
| 442 | E | 83.1 | Confident | 89 | Confident | 61 Ų | 61 | 29 Ų | 29 | 29% | 0.285 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -56.1 | -44.7 | -177.5 | 178.3 | 177.3 | -176.6 | 0 | 0 | 111.8 | V444 R445 L446 Y550 | E442-V444 VanDerWaalsContact C-N 3.33Å; E442-V444 PolarHBondContact O-N 3.49Å; E442-R445 PolarHBondContact O-N 3.26Å; E442-L446 HydrophobicContact CG-CD1 3.95Å; E442-L446 HydrophobicContact CG-CG 4.26Å; E442-L446 VanDerWaalsContact O-CG 3.29Å; E442-L446 WeakPolarHBondContact O-CG 3.42Å; E442-L446 PolarHBondContact O-N 3.41Å; E442-Y550 WeakPolarHBondContact CA-OH 3.48Å; E442-Y550 VanDerWaalsContact CB-OH 3.26Å; E442-Y550 WeakPolarHBondContact CB-OH 3.29Å; E442-Y550 HydrophobicContact CG-CE1 3.99Å; E442-Y550 WeakPolarHBondContact CG-OH 3.5Å |
| 443 | S | 86 | Confident | 88.9 | Confident | 38 Ų | 38 | 28.5 Ų | 28.5 | 27% | 0.266 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -66.6 | -35 | -175.9 | 74.8 | 0 | 0 | 0 | 0 | 112.9 | W401 E441 S447 | W401-S443 WeakPolarHBondContact CZ3-OG 3.29Å; E441-S443 VanDerWaalsContact C-N 3.29Å; E441-S443 PolarHBondContact O-N 3.1Å; S443-S447 PolarHBondContact O-N 2.88Å; S443-S447 PolarHBondContact O-OG 2.94Å |
| 444 | V | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.8 | -47.6 | 175.2 | -176.3 | 0 | 0 | 0 | 0 | 109 | W401 R404 R405 E439 E441 E442 L446 S447 I448 | W401-V444 HydrophobicContact CB-CG2 4.05Å; W401-V444 HydrophobicContact CE3-CG2 4.25Å; W401-V444 VanDerWaalsContact O-CG2 3.29Å; W401-V444 WeakPolarHBondContact O-CG2 3.49Å; R404-V444 HydrophobicContact CB-CG1 3.74Å; R404-V444 HydrophobicContact CB-CG2 4.33Å; R405-V444 HydrophobicContact CB-CG2 3.98Å; E439-V444 HydrophobicContact CG-CB 3.61Å; E439-V444 HydrophobicContact CG-CG1 3.64Å; E441-V444 HydrophobicContact CB-CB 4.06Å; E441-V444 HydrophobicContact CB-CG2 3.66Å; E441-V444 PolarHBondContact O-N 3.05Å; E442-V444 VanDerWaalsContact C-N 3.33Å; E442-V444 PolarHBondContact O-N 3.49Å; V444-L446 PolarHBondContact O-N 2.8Å; V444-S447 CarbonylContact O-C 3.31Å; V444-S447 WeakPolarHBondContact O-CA 3.33Å; V444-S447 WeakPolarHBondContact O-CB 3.3Å; V444-S447 PolarHBondContact O-N 3.03Å; V444-I448 HydrophobicContact CG1-CD1 4.05Å; V444-I448 WeakPolarHBondContact O-CG1 3.45Å; V444-I448 PolarHBondContact O-N 3.35Å |
| 445 | R | 89.6 | Confident | 88.8 | Confident | 24 Ų | 24 | 28 Ų | 28 | 9% | 0.091 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.6 | -43.7 | 179.7 | -157.8 | -172.9 | -55.5 | 157.8 | 8.5 | 113 | F437 E439 R440 E441 E442 S447 I448 F449 Q529 Y550 | F437-R445 WeakPolarHBondContact O-CD 3.47Å; E439-R445 HydrophobicContact CB-CB 4.37Å; E439-R445 HydrophobicContact CB-CG 4.49Å; E439-R445 HydrophobicContact CG-CB 4.36Å; E439-R445 PolarHBondContact O-NE 3.47Å; E439-R445 PolarHBondContact O-NH2 2.89Å; R440-R445 PolarHBondContact O-NH2 3.26Å; E441-R445 WeakPolarHBondContact O-CB 3.49Å; E441-R445 PolarHBondContact O-N 3.44Å; E442-R445 PolarHBondContact O-N 3.26Å; R445-S447 VanDerWaalsContact C-N 3.29Å; R445-S447 PolarHBondContact O-N 2.89Å; R445-I448 WeakPolarHBondContact O-CB 3.36Å; R445-I448 PolarHBondContact O-N 3.32Å; R445-F449 HydrophobicContact CG-CD2 4.5Å; R445-F449 HydrophobicContact CG-CE1 4.23Å; R445-F449 HydrophobicContact CG-CE2 3.77Å; R445-F449 HydrophobicContact CG-CZ 3.6Å; R445-F449 WeakPolarHBondContact O-CD2 3.4Å; R445-F449 WeakPolarHBondContact O-CG 3.28Å; R445-F449 PolarHBondContact O-N 3.4Å; R445-Q529 VanDerWaalsContact CD-OE1 3.24Å; R445-Y550 VanDerWaalsContact NH1-CE2 3.25Å; R445-Y550 PolarHBondContact NH1-OH 3.14Å |
| 446 | L | 88.5 | Confident | 88.9 | Confident | 53 Ų | 53 | 22.8 Ų | 22.8 | 28% | 0.277 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -62.9 | -35.4 | 174.6 | -67.8 | 175.1 | 0 | 0 | 0 | 112.4 | E442 V444 F449 S450 V549 Y550 | E442-L446 HydrophobicContact CG-CD1 3.95Å; E442-L446 HydrophobicContact CG-CG 4.26Å; E442-L446 VanDerWaalsContact O-CG 3.29Å; E442-L446 WeakPolarHBondContact O-CG 3.42Å; E442-L446 PolarHBondContact O-N 3.41Å; V444-L446 PolarHBondContact O-N 2.8Å; L446-F449 HydrophobicContact CD2-CD2 4.34Å; L446-F449 PolarHBondContact O-N 3.34Å; L446-S450 WeakPolarHBondContact O-CB 3.46Å; L446-S450 PolarHBondContact O-N 3.41Å; L446-V549 HydrophobicContact CD1-CG1 4.02Å; L446-V549 HydrophobicContact CD2-CG1 3.61Å; L446-V549 HydrophobicContact CG-CG1 4.45Å; L446-Y550 HydrophobicContact CD2-CD1 4.42Å; L446-Y550 HydrophobicContact CD2-CE1 4.43Å |
| 447 | S | 91.7 | Very high | 88.7 | Confident | 19 Ų | 19 | 27.8 Ų | 27.8 | 13% | 0.133 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.4 | -36.8 | 175.3 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | S443 V444 R445 S450 C451 | S443-S447 PolarHBondContact O-N 2.88Å; S443-S447 PolarHBondContact O-OG 2.94Å; V444-S447 CarbonylContact O-C 3.31Å; V444-S447 WeakPolarHBondContact O-CA 3.33Å; V444-S447 WeakPolarHBondContact O-CB 3.3Å; V444-S447 PolarHBondContact O-N 3.03Å; R445-S447 VanDerWaalsContact C-N 3.29Å; R445-S447 PolarHBondContact O-N 2.89Å; S447-S450 PolarHBondContact O-N 3.21Å; S447-C451 VanDerWaalsContact O-CB 3.29Å; S447-C451 WeakPolarHBondContact O-CB 3.35Å; S447-C451 PolarHBondContact O-N 2.95Å |
| 448 | I | 93.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.9 | -45.7 | 172.1 | -67.6 | 165.4 | 0 | 0 | 0 | 110.4 | L349 A408 L433 Q436 F437 E439 V444 R445 C451 L452 | L349-I448 HydrophobicContact CD1-CD1 4.26Å; L349-I448 HydrophobicContact CD1-CG1 4.25Å; A408-I448 HydrophobicContact CB-CG1 4.19Å; L433-I448 HydrophobicContact CB-CG2 4.17Å; L433-I448 HydrophobicContact CD2-CG2 4.04Å; L433-I448 WeakPolarHBondContact O-CG2 3.32Å; Q436-I448 HydrophobicContact CB-CD1 3.79Å; Q436-I448 WeakPolarHBondContact O-CD1 3.41Å; F437-I448 HydrophobicContact CD1-CG2 4.04Å; F437-I448 HydrophobicContact CE1-CG2 4.07Å; E439-I448 HydrophobicContact CB-CD1 4.09Å; E439-I448 HydrophobicContact CG-CD1 4.36Å; V444-I448 HydrophobicContact CG1-CD1 4.05Å; V444-I448 WeakPolarHBondContact O-CG1 3.45Å; V444-I448 PolarHBondContact O-N 3.35Å; R445-I448 WeakPolarHBondContact O-CB 3.36Å; R445-I448 PolarHBondContact O-N 3.32Å; I448-C451 WeakPolarHBondContact O-CB 3.49Å; I448-C451 PolarHBondContact O-N 3.48Å; I448-L452 PolarHBondContact O-N 2.85Å |
| 449 | F | 91.9 | Very high | 88.6 | Confident | 5 Ų | 5 | 26.6 Ų | 26.6 | 2% | 0.022 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.3 | -38.9 | 176.7 | -61.5 | -29.5 | 0 | 0 | 0 | 112.9 | F437 R445 L446 L452 S453 Q529 Y550 T553 L557 | F437-F449 HydrophobicContact CD1-CD1 4.22Å; F437-F449 AromaticContact CD1-CE1 3.74Å; F437-F449 HydrophobicContact CD1-CE1 3.74Å; F437-F449 AromaticContact CD2-CE1 3.96Å; F437-F449 HydrophobicContact CD2-CE1 3.96Å; F437-F449 AromaticContact CE1-CD1 3.89Å; F437-F449 HydrophobicContact CE1-CD1 3.89Å; F437-F449 AromaticContact CE1-CE1 3.81Å; F437-F449 HydrophobicContact CE1-CE1 3.81Å; F437-F449 HydrophobicContact CE2-CE1 4.03Å; F437-F449 AromaticContact CG-CE1 3.84Å; F437-F449 HydrophobicContact CG-CE1 3.84Å; F437-F449 HydrophobicContact CZ-CD1 4.06Å; F437-F449 AromaticContact CZ-CE1 3.96Å; F437-F449 HydrophobicContact CZ-CE1 3.96Å; R445-F449 HydrophobicContact CG-CD2 4.5Å; R445-F449 HydrophobicContact CG-CE1 4.23Å; R445-F449 HydrophobicContact CG-CE2 3.77Å; R445-F449 HydrophobicContact CG-CZ 3.6Å; R445-F449 WeakPolarHBondContact O-CD2 3.4Å; R445-F449 WeakPolarHBondContact O-CG 3.28Å; R445-F449 PolarHBondContact O-N 3.4Å; L446-F449 HydrophobicContact CD2-CD2 4.34Å; L446-F449 PolarHBondContact O-N 3.34Å; F449-L452 PolarHBondContact O-N 2.98Å; F449-S453 VanDerWaalsContact O-CB 3.31Å; F449-S453 WeakPolarHBondContact O-CB 3.3Å; F449-S453 PolarHBondContact O-N 3.04Å; F449-Q529 HydrophobicContact CE1-CG 4.39Å; F449-Q529 HydrophobicContact CZ-CG 3.81Å; F449-Y550 HydrophobicContact CE2-CD1 4.16Å; F449-T553 HydrophobicContact CB-CG2 3.4Å; F449-T553 VanDerWaalsContact CB-CG2 3.4Å; F449-T553 HydrophobicContact CD2-CG2 3.39Å; F449-T553 HydrophobicContact CE2-CG2 4.36Å; F449-T553 HydrophobicContact CG-CG2 3.66Å; F449-L557 HydrophobicContact CB-CD1 4.32Å; F449-L557 HydrophobicContact CD1-CD1 3.91Å; F449-L557 HydrophobicContact CG-CD1 4.18Å |
| 450 | S | 91 | Very high | 88.3 | Confident | 45 Ų | 45 | 29.7 Ų | 29.7 | 32% | 0.315 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60.2 | -47.4 | 173.6 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | E412 L446 S447 L452 S453 A454 | E412-S450 VanDerWaalsContact CD-OG 3.29Å; E412-S450 PolarHBondContact OE1-OG 2.84Å; E412-S450 WeakPolarHBondContact OE2-CB 3.47Å; E412-S450 PolarHBondContact OE2-OG 3.44Å; L446-S450 WeakPolarHBondContact O-CB 3.46Å; L446-S450 PolarHBondContact O-N 3.41Å; S447-S450 PolarHBondContact O-N 3.21Å; S450-L452 PolarHBondContact O-N 3Å; S450-S453 PolarHBondContact O-N 2.91Å; S450-A454 PolarHBondContact O-N 2.91Å |
| 451 | C | 93.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58 | -46.4 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | E412 I415 L433 S447 I448 A454 L455 | E412-C451 HydrophobicContact CB-CB 3.93Å; E412-C451 HydrophobicContact CG-CB 4.5Å; E412-C451 PolarHBondContact N-SG 3.31Å; E412-C451 VanDerWaalsContact N-SG 3.43Å; I415-C451 VanDerWaalsContact CD1-SG 3.52Å; L433-C451 HydrophobicContact CD1-CB 4.33Å; L433-C451 HydrophobicContact CD2-CB 4.4Å; S447-C451 VanDerWaalsContact O-CB 3.29Å; S447-C451 WeakPolarHBondContact O-CB 3.35Å; S447-C451 PolarHBondContact O-N 2.95Å; I448-C451 WeakPolarHBondContact O-CB 3.49Å; I448-C451 PolarHBondContact O-N 3.48Å; C451-A454 WeakPolarHBondContact O-CB 3.32Å; C451-A454 PolarHBondContact O-N 3.46Å; C451-L455 PolarHBondContact O-N 3.29Å; C451-L455 VanDerWaalsContact O-N 3.15Å |
| 452 | L | 94 | Very high | 85.8 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.5 | -40.6 | 176.5 | -174.9 | 68.3 | 0 | 0 | 0 | 112.8 | L433 F437 I448 F449 S450 A454 L455 L456 L522 L557 | L433-L452 HydrophobicContact CD1-CB 4.31Å; L433-L452 HydrophobicContact CD1-CD1 4.43Å; F437-L452 HydrophobicContact CE1-CD2 4Å; F437-L452 HydrophobicContact CZ-CD2 3.52Å; I448-L452 PolarHBondContact O-N 2.85Å; F449-L452 PolarHBondContact O-N 2.98Å; S450-L452 PolarHBondContact O-N 3Å; L452-A454 VanDerWaalsContact C-N 3.28Å; L452-A454 PolarHBondContact O-N 2.97Å; L452-L455 HydrophobicContact CD1-CD2 4.41Å; L452-L455 WeakPolarHBondContact O-CB 3.45Å; L452-L455 PolarHBondContact O-N 3.5Å; L452-L455 VanDerWaalsContact O-N 3.09Å; L452-L456 HydrophobicContact CG-CD1 4.39Å; L452-L456 HydrophobicContact CG-CG 4.46Å; L452-L456 WeakPolarHBondContact O-CG 3.49Å; L452-L456 PolarHBondContact O-N 3.34Å; L452-L522 HydrophobicContact CD2-CD1 3.43Å; L452-L522 VanDerWaalsContact CD2-CD1 3.43Å; L452-L557 HydrophobicContact CD2-CD2 4.2Å; L452-L557 HydrophobicContact CG-CD2 4.41Å |
| 453 | S | 90.9 | Very high | 83.9 | Confident | 15 Ų | 15 | 28.5 Ų | 28.5 | 11% | 0.105 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.8 | -38.3 | 174.6 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | F449 S450 L455 L456 R457 D560 | F449-S453 VanDerWaalsContact O-CB 3.31Å; F449-S453 WeakPolarHBondContact O-CB 3.3Å; F449-S453 PolarHBondContact O-N 3.04Å; S450-S453 PolarHBondContact O-N 2.91Å; S453-L455 VanDerWaalsContact C-N 3.32Å; S453-L455 PolarHBondContact O-N 2.92Å; S453-L456 PolarHBondContact O-N 3.46Å; S453-R457 VanDerWaalsContact O-CB 3.27Å; S453-R457 WeakPolarHBondContact O-CB 3.31Å; S453-R457 VanDerWaalsContact O-CG 3.25Å; S453-R457 WeakPolarHBondContact O-CG 3.48Å; S453-R457 PolarHBondContact O-N 3.43Å; S453-R457 PolarHBondContact O-NE 2.98Å; S453-R457 PolarHBondContact OG-NE 2.71Å; S453-D560 WeakPolarHBondContact CB-OD2 3.39Å; S453-D560 PolarHBondContact OG-OD2 2.89Å |
| 454 | A | 87.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E412 I415 L416 S450 C451 L452 R457 Q458 | E412-A454 HydrophobicContact CG-CB 4.03Å; I415-A454 HydrophobicContact CG2-CB 4.4Å; L416-A454 HydrophobicContact CD2-CB 3.99Å; L416-A454 HydrophobicContact CG-CB 4.28Å; S450-A454 PolarHBondContact O-N 2.91Å; C451-A454 WeakPolarHBondContact O-CB 3.32Å; C451-A454 PolarHBondContact O-N 3.46Å; L452-A454 VanDerWaalsContact C-N 3.28Å; L452-A454 PolarHBondContact O-N 2.97Å; A454-R457 PolarHBondContact O-N 3.34Å; A454-Q458 PolarHBondContact O-N 2.93Å; A454-Q458 VanDerWaalsContact O-N 3.1Å |
| 455 | L | 92.4 | Very high | 78.5 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 176.5 | -170 | 60.2 | 0 | 0 | 0 | 112.7 | I415 T422 F425 Y426 A430 C451 L452 S453 Q458 T459 | I415-L455 HydrophobicContact CD1-CB 4.25Å; I415-L455 HydrophobicContact CD1-CD1 4.5Å; I415-L455 HydrophobicContact CG1-CD1 4.46Å; I415-L455 HydrophobicContact CG2-CB 4.08Å; I415-L455 HydrophobicContact CG2-CD1 3.88Å; T422-L455 HydrophobicContact CG2-CD1 4Å; F425-L455 HydrophobicContact CB-CD1 3.75Å; F425-L455 HydrophobicContact CB-CD2 4.4Å; F425-L455 HydrophobicContact CD2-CD1 4.2Å; F425-L455 HydrophobicContact CG-CD1 4.49Å; Y426-L455 HydrophobicContact CD1-CD2 3.86Å; Y426-L455 HydrophobicContact CD1-CG 4.49Å; Y426-L455 HydrophobicContact CE1-CD2 3.62Å; Y426-L455 HydrophobicContact CE1-CG 3.89Å; Y426-L455 HydrophobicContact CE2-CD1 4.39Å; Y426-L455 HydrophobicContact CE2-CG 4.19Å; Y426-L455 HydrophobicContact CG-CD2 4.39Å; Y426-L455 PolarHBondContact OH-O 2.88Å; A430-L455 HydrophobicContact CB-CD2 3.92Å; C451-L455 PolarHBondContact O-N 3.29Å; C451-L455 VanDerWaalsContact O-N 3.15Å; L452-L455 HydrophobicContact CD1-CD2 4.41Å; L452-L455 WeakPolarHBondContact O-CB 3.45Å; L452-L455 PolarHBondContact O-N 3.5Å; L452-L455 VanDerWaalsContact O-N 3.09Å; S453-L455 VanDerWaalsContact C-N 3.32Å; S453-L455 PolarHBondContact O-N 2.92Å; L455-Q458 PolarHBondContact O-N 3.29Å; L455-T459 PolarHBondContact O-N 3.47Å; L455-T459 PolarHBondContact O-OG1 3.21Å |
| 456 | L | 91.5 | Very high | 75.5 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 176.9 | -68.4 | 174.3 | 0 | 0 | 0 | 111.4 | L452 S453 Q458 T459 R460 L515 L522 L557 D560 L561 | L452-L456 HydrophobicContact CG-CD1 4.39Å; L452-L456 HydrophobicContact CG-CG 4.46Å; L452-L456 WeakPolarHBondContact O-CG 3.49Å; L452-L456 PolarHBondContact O-N 3.34Å; S453-L456 PolarHBondContact O-N 3.46Å; L456-Q458 PolarHBondContact O-N 3.06Å; L456-T459 WeakPolarHBondContact O-CA 3.46Å; L456-T459 WeakPolarHBondContact O-CB 3.49Å; L456-T459 PolarHBondContact O-N 3.21Å; L456-R460 PolarHBondContact O-N 2.92Å; L456-L515 HydrophobicContact CD2-CD1 3.63Å; L456-L515 HydrophobicContact CD2-CD2 3.76Å; L456-L515 HydrophobicContact CD2-CG 4.37Å; L456-L522 HydrophobicContact CD2-CD2 4.48Å; L456-L557 HydrophobicContact CD1-CD2 4Å; L456-D560 HydrophobicContact CB-CB 3.88Å; L456-D560 HydrophobicContact CD1-CB 4Å; L456-L561 HydrophobicContact CD1-CB 4.46Å; L456-L561 HydrophobicContact CD2-CD1 3.93Å |
| 457 | R | 85.2 | Confident | 72.6 | Confident | 111 Ų | 111 | 44 Ų | 44 | 42% | 0.419 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57 | -38.4 | 176.2 | -80.3 | -174.5 | -73.8 | 150.2 | -0.9 | 112.2 | S453 A454 T459 R460 | S453-R457 VanDerWaalsContact O-CB 3.27Å; S453-R457 WeakPolarHBondContact O-CB 3.31Å; S453-R457 VanDerWaalsContact O-CG 3.25Å; S453-R457 WeakPolarHBondContact O-CG 3.48Å; S453-R457 PolarHBondContact O-N 3.43Å; S453-R457 PolarHBondContact O-NE 2.98Å; S453-R457 PolarHBondContact OG-NE 2.71Å; A454-R457 PolarHBondContact O-N 3.34Å; R457-T459 PolarHBondContact O-N 3.19Å; R457-R460 WeakPolarHBondContact O-CB 3.4Å; R457-R460 WeakPolarHBondContact O-CG 3.45Å; R457-R460 PolarHBondContact O-N 2.92Å |
| 458 | Q | 79.5 | Confident | 69.4 | Low | 53 Ų | 53 | 51.1 Ų | 51.1 | 25% | 0.248 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.7 | -15.7 | 177.7 | -155.7 | 151.5 | -72.4 | 0 | 0 | 114.2 | I415 T419 T422 A454 L455 L456 | I415-Q458 PolarHBondContact O-NE2 3.44Å; I415-Q458 PolarHBondContact O-OE1 3.32Å; T419-Q458 VanDerWaalsContact CB-NE2 3.29Å; T419-Q458 HydrophobicContact CG2-CG 4.27Å; T419-Q458 VanDerWaalsContact CG2-NE2 3.26Å; T419-Q458 VanDerWaalsContact CG2-OE1 3.25Å; T422-Q458 HydrophobicContact CG2-CB 4.36Å; T422-Q458 HydrophobicContact CG2-CG 4.44Å; T422-Q458 PolarHBondContact OG1-NE2 2.99Å; A454-Q458 PolarHBondContact O-N 2.93Å; A454-Q458 VanDerWaalsContact O-N 3.1Å; L455-Q458 PolarHBondContact O-N 3.29Å; L456-Q458 PolarHBondContact O-N 3.06Å |
| 459 | T | 85.8 | Confident | 66.2 | Low | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -91.8 | -9.6 | 177.8 | -50.1 | 0 | 0 | 0 | 0 | 112.1 | Y426 L455 L456 R457 L461 A511 Q512 L515 A564 | Y426-T459 HydrophobicContact CE2-CG2 4.14Å; Y426-T459 VanDerWaalsContact CE2-OG1 3.26Å; Y426-T459 WeakPolarHBondContact CE2-OG1 3.47Å; Y426-T459 WeakPolarHBondContact OH-CB 3.48Å; Y426-T459 PolarHBondContact OH-OG1 3.36Å; L455-T459 PolarHBondContact O-N 3.47Å; L455-T459 PolarHBondContact O-OG1 3.21Å; L456-T459 WeakPolarHBondContact O-CA 3.46Å; L456-T459 WeakPolarHBondContact O-CB 3.49Å; L456-T459 PolarHBondContact O-N 3.21Å; R457-T459 PolarHBondContact O-N 3.19Å; T459-L461 PolarHBondContact O-N 3.42Å; T459-A511 HydrophobicContact CG2-CB 3.98Å; T459-Q512 HydrophobicContact CG2-CG 3.95Å; T459-Q512 PolarHBondContact O-NE2 3.38Å; T459-L515 HydrophobicContact CG2-CD2 3.96Å; T459-A564 HydrophobicContact CG2-CB 4.32Å |
| 460 | R | 79.4 | Confident | 62.9 | Low | 65 Ų | 65 | 60 Ų | 60 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | trans | -61.3 | 133.1 | 179.3 | -65.6 | 177 | -178.3 | -175.8 | 1.7 | 110.9 | L456 R457 T462 D560 L563 | L456-R460 PolarHBondContact O-N 2.92Å; R457-R460 WeakPolarHBondContact O-CB 3.4Å; R457-R460 WeakPolarHBondContact O-CG 3.45Å; R457-R460 PolarHBondContact O-N 2.92Å; R460-T462 PolarHBondContact O-N 2.7Å; R460-D560 IonicContact CZ-OD1 3.33Å; R460-D560 IonicContact NH2-OD1 3.46Å; R460-D560 PolarHBondContact NH2-OD1 3.3Å; R460-L563 HydrophobicContact CG-CB 4.02Å | ||
| 461 | L | 65.3 | Low | 59.9 | Low | 21 Ų | 21 | 63.4 Ų | 63.4 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | trans | -74.8 | 103.5 | 167.6 | -68.9 | 172.3 | 0 | 0 | 0 | 107.8 | T459 S463 E500 L501 Q504 | T459-L461 PolarHBondContact O-N 3.42Å; L461-S463 PolarHBondContact O-N 3.48Å; L461-E500 HydrophobicContact CD1-CB 4.38Å; L461-E500 HydrophobicContact CD1-CG 4.36Å; L461-E500 HydrophobicContact CD2-CG 3.9Å; L461-L501 HydrophobicContact CD1-CB 3.56Å; L461-L501 HydrophobicContact CD1-CD1 3.93Å; L461-L501 HydrophobicContact CD1-CG 4.35Å; L461-Q504 VanDerWaalsContact CD2-NE2 3.28Å | ||
| 462 | T | 50.3 | Low | 56.6 | Low | 105 Ų | 105 | 66.9 Ų | 66.9 | 64% | 0.644 | 35% | 0.351 | S | S | * | . | trans | -68.3 | 109.1 | 176.3 | -59 | 0 | 0 | 0 | 0 | 107.2 | R460 T464 | R460-T462 PolarHBondContact O-N 2.7Å; T462-T464 PolarHBondContact O-N 3.1Å | ||
| 463 | S | 42.6 | Very low | 53.3 | Low | 41 Ų | 41 | 73 Ų | 73 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | trans | -51 | 111.9 | 156.3 | -74.3 | 0 | 0 | 0 | 0 | 105.5 | L461 I465 T497 | L461-S463 PolarHBondContact O-N 3.48Å; S463-I465 PolarHBondContact O-N 2.84Å; S463-T497 WeakPolarHBondContact OG-CG2 3.49Å | ||
| 464 | T | 34.4 | Very low | 50.1 | Low | 67 Ų | 67 | 74.9 Ų | 74.9 | 41% | 0.411 | 41% | 0.405 | S | S | . | . | trans | -44.7 | 118.2 | 164.6 | 34.4 | 0 | 0 | 0 | 0 | 105.9 | T462 H466 | T462-T464 PolarHBondContact O-N 3.1Å; T464-H466 PolarHBondContact O-N 3.04Å | ||
| 465 | I | 30.2 | Very low | 47 | Very low | 119 Ų | 119 | 80.5 Ų | 80.5 | 61% | 0.61 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -71 | 70 | 177.4 | -57.6 | 172.5 | 0 | 0 | 0 | 106.4 | S463 | S463-I465 PolarHBondContact O-N 2.84Š|
| 466 | H | 26.3 | Very low | 43.7 | Very low | 135 Ų | 135 | 86.1 Ų | 86.1 | 63% | 0.625 | 48% | 0.478 | S | S | * | . | trans | -125.2 | 140.6 | 159.9 | -85 | -94.1 | 0 | 0 | 0 | 103.7 | T464 | T464-H466 PolarHBondContact O-N 3.04Š| ||
| 467 | L | 27.8 | Very low | 40.4 | Very low | 120 Ų | 120 | 90.7 Ų | 90.7 | 63% | 0.628 | 52% | 0.516 | S | S | * | . | S | Bend | trans | 111.1 | 21.6 | 168.5 | -46.3 | 173.4 | 0 | 0 | 0 | 119.9 | T470 | L467-T470 VanDerWaalsContact CA-OG1 3.26Å; L467-T470 WeakPolarHBondContact CA-OG1 3.4Å; L467-T470 HydrophobicContact CD2-CG2 3.5Å; L467-T470 VanDerWaalsContact CD2-CG2 3.5Å; L467-T470 WeakPolarHBondContact CD2-OG1 3.49Å |
| 468 | N | 24.3 | Very low | 37.5 | Very low | 168 Ų | 168 | 91.3 Ų | 91.3 | 90% | 0.898 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -105 | -0.1 | 147.3 | -89.1 | -7.3 | 0 | 0 | 0 | 114.3 | ||
| 469 | N | 25.1 | Very low | 34.8 | Very low | 129 Ų | 129 | 95.5 Ų | 95.5 | 69% | 0.69 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -107.8 | 1.9 | 169.8 | -86.2 | -6.7 | 0 | 0 | 0 | 114.8 | I471 T472 | N469-I471 PolarHBondContact O-N 2.85Å; N469-T472 PolarHBondContact O-N 3.48Å; N469-T472 PolarHBondContact O-OG1 3.4Å |
| 470 | T | 24.2 | Very low | 31.8 | Very low | 62 Ų | 62 | 104.5 Ų | 104.5 | 38% | 0.38 | 60% | 0.598 | S | S | . | * | G | 310 helix | trans | -74 | 1.3 | 175.2 | 14.9 | 0 | 0 | 0 | 0 | 114.9 | L467 N473 | L467-T470 VanDerWaalsContact CA-OG1 3.26Å; L467-T470 WeakPolarHBondContact CA-OG1 3.4Å; L467-T470 HydrophobicContact CD2-CG2 3.5Å; L467-T470 VanDerWaalsContact CD2-CG2 3.5Å; L467-T470 WeakPolarHBondContact CD2-OG1 3.49Å; T470-N473 VanDerWaalsContact CG2-ND2 3.35Å; T470-N473 WeakPolarHBondContact CG2-ND2 3.24Å |
| 471 | I | 26.7 | Very low | 29.2 | Very low | 117 Ų | 117 | 106.3 Ų | 106.3 | 60% | 0.6 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -84.8 | -1.1 | 165.3 | -59.1 | -179.2 | 0 | 0 | 0 | 111.4 | N469 | N469-I471 PolarHBondContact O-N 2.85Š|
| 472 | T | 24.5 | Very low | 27.2 | Very low | 74 Ų | 74 | 110 Ų | 110 | 45% | 0.454 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -134.6 | 52.5 | 173.7 | 60.4 | 0 | 0 | 0 | 0 | 112.4 | N469 G474 | N469-T472 PolarHBondContact O-N 3.48Å; N469-T472 PolarHBondContact O-OG1 3.4Å; T472-G474 PolarHBondContact O-N 3.28Å |
| 473 | N | 24.4 | Very low | 25.9 | Very low | 130 Ų | 130 | 108.2 Ų | 108.2 | 70% | 0.695 | 63% | 0.629 | S | S | * | * | trans | -82.6 | 113.5 | 171.3 | -84.4 | 3.8 | 0 | 0 | 0 | 111.5 | T470 | T470-N473 VanDerWaalsContact CG2-ND2 3.35Å; T470-N473 WeakPolarHBondContact CG2-ND2 3.24Å | ||
| 474 | G | 24.5 | Very low | 25.1 | Very low | 53 Ų | 53 | 109.4 Ų | 109.4 | 55% | 0.546 | 64% | 0.635 | S | S | . | * | S | Bend | trans | 160.8 | 70.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T472 | T472-G474 PolarHBondContact O-N 3.28Š|
| 475 | S | 22.2 | Very low | 24.6 | Very low | 119 Ų | 119 | 115.6 Ų | 115.6 | 83% | 0.832 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 52.5 | 79.5 | 164.9 | 70.2 | 0 | 0 | 0 | 0 | 118.7 | ||
| 476 | V | 23.1 | Very low | 24.2 | Very low | 118 Ų | 118 | 114.1 Ų | 114.1 | 72% | 0.715 | 65% | 0.652 | S | S | * | * | trans | -140.3 | 121.6 | 137.3 | -178.9 | 0 | 0 | 0 | 0 | 106.5 | V478 | V476-V478 HydrophobicContact CG1-CG2 4.38Å; V476-V478 PolarHBondContact O-N 3.09Å | ||
| 477 | A | 22.9 | Very low | 24.1 | Very low | 96 Ų | 96 | 110.6 Ų | 110.6 | 79% | 0.793 | 64% | 0.641 | S | S | * | * | trans | -60 | 84.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | N479 | A477-N479 PolarHBondContact O-N 3.18Š| ||
| 478 | V | 24.5 | Very low | 24.1 | Very low | 125 Ų | 125 | 113.5 Ų | 113.5 | 76% | 0.758 | 65% | 0.652 | S | S | * | * | trans | -71.5 | 102.4 | 167.7 | 178.9 | 0 | 0 | 0 | 0 | 105 | V476 Q480 | V476-V478 HydrophobicContact CG1-CG2 4.38Å; V476-V478 PolarHBondContact O-N 3.09Å; V478-Q480 PolarHBondContact O-N 3.21Å | ||
| 479 | N | 22.5 | Very low | 24.6 | Very low | 140 Ų | 140 | 110.2 Ų | 110.2 | 75% | 0.749 | 64% | 0.642 | S | S | * | * | trans | -16.2 | 111.1 | 176.5 | -72.3 | -31 | 0 | 0 | 0 | 113.7 | A477 Q481 | A477-N479 PolarHBondContact O-N 3.18Å; N479-Q481 PolarHBondContact O-N 3.04Å | ||
| 480 | Q | 23 | Very low | 25.6 | Very low | 190 Ų | 190 | 107.5 Ų | 107.5 | 89% | 0.888 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -64.3 | 49.8 | 177.5 | -67 | 173.9 | -20.4 | 0 | 0 | 113.5 | V478 | V478-Q480 PolarHBondContact O-N 3.21Š|
| 481 | Q | 23.5 | Very low | 26.9 | Very low | 103 Ų | 103 | 105.7 Ų | 105.7 | 48% | 0.481 | 62% | 0.618 | S | S | . | * | trans | -128.9 | 20.2 | -174.3 | -67.3 | -169.8 | -9.7 | 0 | 0 | 115 | N479 S483 S1498 | N479-Q481 PolarHBondContact O-N 3.04Å; Q481-S483 PolarHBondContact O-N 3.31Å; Q481-S1498 PolarHBondContact O-OG 3.44Å | ||
| 482 | S | 24 | Very low | 28.3 | Very low | 99 Ų | 99 | 106.6 Ų | 106.6 | 69% | 0.692 | 62% | 0.618 | S | S | * | * | trans | -89.5 | 92.6 | 163.9 | 55.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 483 | S | 23.1 | Very low | 30.1 | Very low | 68 Ų | 68 | 104.5 Ų | 104.5 | 48% | 0.476 | 61% | 0.605 | S | S | . | * | trans | -51.2 | 128.7 | 173.5 | -175.7 | 0 | 0 | 0 | 0 | 111.8 | Q481 R485 | Q481-S483 PolarHBondContact O-N 3.31Å; S483-R485 VanDerWaalsContact C-N 3.3Å; S483-R485 PolarHBondContact O-N 3.17Å | ||
| 484 | P | 25.4 | Very low | 31.7 | Very low | 65 Ų | 65 | 99.9 Ų | 99.9 | 42% | 0.422 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -83.1 | 63.9 | -169.6 | 35 | -35.9 | 0 | 0 | 0 | 112.2 | ||
| 485 | R | 23.3 | Very low | 33.4 | Very low | 197 Ų | 197 | 102 Ų | 102 | 74% | 0.743 | 58% | 0.579 | S | S | * | * | trans | -104.7 | -0.3 | 173.8 | -81.2 | -170.3 | 176.7 | 175.1 | -0.3 | 115.1 | S483 | S483-R485 VanDerWaalsContact C-N 3.3Å; S483-R485 PolarHBondContact O-N 3.17Å | ||
| 486 | S | 23.7 | Very low | 35 | Very low | 88 Ų | 88 | 100.1 Ų | 100.1 | 62% | 0.615 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -111 | 8.1 | 177.6 | 59.4 | 0 | 0 | 0 | 0 | 115.3 | E488 | S486-E488 PolarHBondContact O-N 3.45Å; S486-E488 VanDerWaalsContact O-N 3.12Å |
| 487 | C | 24.2 | Very low | 37 | Very low | 61 Ų | 61 | 94.7 Ų | 94.7 | 41% | 0.412 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 43.4 | 178 | -67 | 0 | 0 | 0 | 0 | 113.6 | T490 | C487-T490 HydrophobicContact CB-CG2 4.34Å; C487-T490 WeakPolarHBondContact O-CG2 3.39Å; C487-T490 PolarHBondContact O-OG1 2.9Å |
| 488 | E | 27.5 | Very low | 39.4 | Very low | 181 Ų | 181 | 92.9 Ų | 92.9 | 85% | 0.846 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -15.5 | 174 | -80.4 | -173 | 158.2 | 0 | 0 | 113.6 | S486 T490 | S486-E488 PolarHBondContact O-N 3.45Å; S486-E488 VanDerWaalsContact O-N 3.12Å; E488-T490 PolarHBondContact O-N 3.03Å; E488-T490 VanDerWaalsContact O-N 3.1Å |
| 489 | S | 33.6 | Very low | 41.4 | Very low | 99 Ų | 99 | 90.7 Ų | 90.7 | 69% | 0.692 | 49% | 0.491 | S | S | * | . | trans | -84.1 | 34.5 | 173.6 | -61.6 | 0 | 0 | 0 | 0 | 113.9 | L491 | S489-L491 PolarHBondContact O-N 3.21Š| ||
| 490 | T | 45.8 | Very low | 43.5 | Very low | 73 Ų | 73 | 85.8 Ų | 85.8 | 45% | 0.448 | 46% | 0.463 | S | S | . | . | trans | -76.8 | 43.6 | 175.8 | 44 | 0 | 0 | 0 | 0 | 112.8 | C487 E488 F492 | C487-T490 HydrophobicContact CB-CG2 4.34Å; C487-T490 WeakPolarHBondContact O-CG2 3.39Å; C487-T490 PolarHBondContact O-OG1 2.9Å; E488-T490 PolarHBondContact O-N 3.03Å; E488-T490 VanDerWaalsContact O-N 3.1Å; T490-F492 PolarHBondContact O-N 3Å | ||
| 491 | L | 53.1 | Low | 46.3 | Very low | 24 Ų | 24 | 76.8 Ų | 76.8 | 13% | 0.126 | 42% | 0.421 | C | S | . | . | trans | -75.4 | 4 | 174.2 | -62.1 | 172.5 | 0 | 0 | 0 | 113.1 | S489 R559 N599 V602 L603 | S489-L491 PolarHBondContact O-N 3.21Å; L491-R559 HydrophobicContact CD2-CG 4.39Å; L491-N599 HydrophobicContact CD1-CB 3.6Å; L491-N599 HydrophobicContact CD2-CB 4.17Å; L491-V602 HydrophobicContact CD1-CG1 4.34Å; L491-L603 HydrophobicContact CD2-CB 4.32Å; L491-L603 HydrophobicContact CD2-CD2 4.38Å; L491-L603 WeakPolarHBondContact O-CD1 3.06Å | ||
| 492 | F | 55.2 | Low | 48.9 | Very low | 136 Ų | 136 | 76.7 Ų | 76.7 | 60% | 0.596 | 42% | 0.419 | S | S | * | . | trans | -95.8 | 110.2 | 179.1 | -143 | -88.4 | 0 | 0 | 0 | 110.2 | T490 | T490-F492 PolarHBondContact O-N 3Š| ||
| 493 | V | 62.5 | Low | 51.1 | Low | 29 Ų | 29 | 74.9 Ų | 74.9 | 18% | 0.176 | 40% | 0.402 | C | S | . | . | trans | -91.5 | 114.8 | 171.7 | 177.1 | 0 | 0 | 0 | 0 | 106.8 | T497 L563 P566 L603 T607 | V493-T497 WeakPolarHBondContact CG1-OG1 3.26Å; V493-L563 HydrophobicContact CG2-CD2 4.42Å; V493-P566 HydrophobicContact CB-CB 4.49Å; V493-P566 HydrophobicContact CG1-CB 3.73Å; V493-P566 HydrophobicContact CG1-CG 3.94Å; V493-P566 HydrophobicContact CG2-CB 4.15Å; V493-L603 HydrophobicContact CG2-CD1 3.81Å; V493-T607 HydrophobicContact CB-CG2 3.98Å; V493-T607 HydrophobicContact CG1-CG2 4.37Å; V493-T607 HydrophobicContact CG2-CG2 3.78Å | ||
| 494 | S | 58.6 | Low | 53.7 | Low | 34 Ų | 34 | 73.2 Ų | 73.2 | 24% | 0.238 | 39% | 0.386 | C | S | . | . | trans | -74.1 | 157.3 | 176.7 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | S496 T497 L498 | S494-S496 PolarHBondContact O-N 3.49Å; S494-S496 PolarHBondContact OG-OG 3.27Å; S494-T497 PolarHBondContact N-OG1 3.5Å; S494-T497 PolarHBondContact O-N 2.92Å; S494-T497 PolarHBondContact O-OG1 2.8Å; S494-T497 PolarHBondContact OG-N 3.47Å; S494-T497 PolarHBondContact OG-OG1 3.06Å; S494-L498 PolarHBondContact O-N 3.48Å | ||
| 495 | E | 60.2 | Low | 56.5 | Low | 98 Ų | 98 | 71.9 Ų | 71.9 | 46% | 0.458 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.4 | -33.7 | 173.1 | -168 | 163.8 | -170.9 | 0 | 0 | 111.7 | T497 L498 E499 | E495-T497 VanDerWaalsContact C-N 3.35Å; E495-T497 PolarHBondContact O-N 3.19Å; E495-L498 PolarHBondContact O-N 3.44Å; E495-L498 VanDerWaalsContact O-N 3.15Å; E495-E499 PolarHBondContact O-N 3.49Å |
| 496 | S | 55.3 | Low | 59 | Low | 78 Ų | 78 | 69.7 Ų | 69.7 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 173.3 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | S494 L498 E499 E500 | S494-S496 PolarHBondContact O-N 3.49Å; S494-S496 PolarHBondContact OG-OG 3.27Å; S496-L498 VanDerWaalsContact C-N 3.35Å; S496-E499 PolarHBondContact O-N 3.01Å; S496-E500 PolarHBondContact O-N 2.86Å |
| 497 | T | 65.6 | Low | 61.5 | Low | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.1 | -30.9 | 174.6 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | S463 V493 S494 E495 E500 L501 | S463-T497 WeakPolarHBondContact OG-CG2 3.49Å; V493-T497 WeakPolarHBondContact CG1-OG1 3.26Å; S494-T497 PolarHBondContact N-OG1 3.5Å; S494-T497 PolarHBondContact O-N 2.92Å; S494-T497 PolarHBondContact O-OG1 2.8Å; S494-T497 PolarHBondContact OG-N 3.47Å; S494-T497 PolarHBondContact OG-OG1 3.06Å; E495-T497 VanDerWaalsContact C-N 3.35Å; E495-T497 PolarHBondContact O-N 3.19Å; T497-E500 PolarHBondContact O-N 3.39Å; T497-L501 PolarHBondContact O-N 2.93Å |
| 498 | L | 72.6 | Confident | 64.2 | Low | 58 Ų | 58 | 69.8 Ų | 69.8 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.6 | -39.1 | 175.2 | -173.7 | 63.4 | 0 | 0 | 0 | 111.4 | S494 E495 S496 L501 K502 | S494-L498 PolarHBondContact O-N 3.48Å; E495-L498 PolarHBondContact O-N 3.44Å; E495-L498 VanDerWaalsContact O-N 3.15Å; S496-L498 VanDerWaalsContact C-N 3.35Å; L498-L501 PolarHBondContact O-N 3.3Å; L498-K502 WeakPolarHBondContact O-CG 3.33Å; L498-K502 PolarHBondContact O-N 2.96Å; L498-K502 VanDerWaalsContact O-N 3.09Å |
| 499 | E | 67.1 | Low | 66.6 | Low | 78 Ų | 78 | 66.1 Ų | 66.1 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 172.9 | -70.2 | -55.3 | 139.8 | 0 | 0 | 112.2 | E495 S496 L501 K502 L503 | E495-E499 PolarHBondContact O-N 3.49Å; S496-E499 PolarHBondContact O-N 3.01Å; E499-L501 VanDerWaalsContact C-N 3.31Å; E499-L501 PolarHBondContact O-N 3.39Å; E499-K502 WeakPolarHBondContact O-CB 3.39Å; E499-K502 PolarHBondContact O-N 3.07Å; E499-K502 IonicContact OE1-NZ 2.97Å; E499-K502 PolarHBondContact OE1-NZ 3.17Å; E499-K502 IonicContact OE2-NZ 3.54Å; E499-L503 PolarHBondContact O-N 2.98Å; E499-L503 VanDerWaalsContact O-N 3.11Å |
| 500 | E | 67.2 | Low | 69 | Low | 38 Ų | 38 | 61.9 Ų | 61.9 | 18% | 0.178 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.9 | -41.3 | 173.5 | -173.4 | 175.7 | -173.2 | 0 | 0 | 111.8 | L461 S496 T497 K502 L503 Q504 R1306 | L461-E500 HydrophobicContact CD1-CB 4.38Å; L461-E500 HydrophobicContact CD1-CG 4.36Å; L461-E500 HydrophobicContact CD2-CG 3.9Å; S496-E500 PolarHBondContact O-N 2.86Å; T497-E500 PolarHBondContact O-N 3.39Å; E500-K502 PolarHBondContact O-N 3.2Å; E500-L503 WeakPolarHBondContact O-CB 3.39Å; E500-L503 PolarHBondContact O-N 3.36Å; E500-Q504 PolarHBondContact O-N 3.47Å; E500-R1306 IonicContact OE1-CZ 2.98Å; E500-R1306 IonicContact OE1-NE 3.61Å; E500-R1306 IonicContact OE1-NH1 2.89Å |
| 501 | L | 80.8 | Confident | 70.9 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 174.7 | -177.8 | 68.4 | 0 | 0 | 0 | 111.3 | L461 T497 L498 E499 L503 Q504 L505 Q512 L565 P566 Q568 | L461-L501 HydrophobicContact CD1-CB 3.56Å; L461-L501 HydrophobicContact CD1-CD1 3.93Å; L461-L501 HydrophobicContact CD1-CG 4.35Å; T497-L501 PolarHBondContact O-N 2.93Å; L498-L501 PolarHBondContact O-N 3.3Å; E499-L501 VanDerWaalsContact C-N 3.31Å; E499-L501 PolarHBondContact O-N 3.39Å; L501-L503 PolarHBondContact O-N 3.2Å; L501-Q504 PolarHBondContact O-N 3.07Å; L501-Q504 VanDerWaalsContact O-N 3.13Å; L501-L505 HydrophobicContact CD1-CD1 4.29Å; L501-L505 HydrophobicContact CD1-CD2 4.48Å; L501-L505 HydrophobicContact CD1-CG 4.12Å; L501-L505 HydrophobicContact CD2-CD1 4.25Å; L501-L505 HydrophobicContact CG-CD1 3.88Å; L501-L505 HydrophobicContact CG-CG 4.12Å; L501-L505 WeakPolarHBondContact O-CB 3.43Å; L501-L505 VanDerWaalsContact O-CG 3.3Å; L501-L505 WeakPolarHBondContact O-CG 3.3Å; L501-L505 PolarHBondContact O-N 3.2Å; L501-Q512 HydrophobicContact CD1-CB 4.07Å; L501-Q512 HydrophobicContact CD1-CG 3.95Å; L501-L565 HydrophobicContact CD1-CD2 4.07Å; L501-P566 HydrophobicContact CD2-CG 3.92Å; L501-P566 VanDerWaalsContact CD2-O 3.3Å; L501-P566 WeakPolarHBondContact CD2-O 3.29Å; L501-Q568 HydrophobicContact CD2-CG 4.17Å |
| 502 | K | 78.7 | Confident | 72.6 | Confident | 100 Ų | 100 | 58.6 Ų | 58.6 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.2 | -41.8 | 177.7 | -72.1 | 173.3 | -173.5 | 171.3 | 0 | 111.4 | L498 E499 E500 Q506 | L498-K502 WeakPolarHBondContact O-CG 3.33Å; L498-K502 PolarHBondContact O-N 2.96Å; L498-K502 VanDerWaalsContact O-N 3.09Å; E499-K502 WeakPolarHBondContact O-CB 3.39Å; E499-K502 PolarHBondContact O-N 3.07Å; E499-K502 IonicContact OE1-NZ 2.97Å; E499-K502 PolarHBondContact OE1-NZ 3.17Å; E499-K502 IonicContact OE2-NZ 3.54Å; E500-K502 PolarHBondContact O-N 3.2Å; K502-Q506 WeakPolarHBondContact O-CG 3.48Å; K502-Q506 PolarHBondContact O-N 3.11Å |
| 503 | L | 69.4 | Low | 74.2 | Confident | 62 Ų | 62 | 53.5 Ų | 53.5 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 176.7 | -69.2 | 172.6 | 0 | 0 | 0 | 112.1 | E499 E500 L501 L505 Q506 | E499-L503 PolarHBondContact O-N 2.98Å; E499-L503 VanDerWaalsContact O-N 3.11Å; E500-L503 WeakPolarHBondContact O-CB 3.39Å; E500-L503 PolarHBondContact O-N 3.36Å; L501-L503 PolarHBondContact O-N 3.2Å; L503-L505 VanDerWaalsContact C-N 3.35Å; L503-L505 PolarHBondContact O-N 2.97Å; L503-Q506 WeakPolarHBondContact O-CB 3.16Å; L503-Q506 PolarHBondContact O-N 2.67Å |
| 504 | Q | 77.3 | Confident | 75.6 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 15% | 0.154 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.7 | -34.2 | 179.4 | -70.7 | -172.7 | -9.2 | 0 | 0 | 112.6 | L461 E500 L501 Q506 D507 S510 Q512 | L461-Q504 VanDerWaalsContact CD2-NE2 3.28Å; E500-Q504 PolarHBondContact O-N 3.47Å; L501-Q504 PolarHBondContact O-N 3.07Å; L501-Q504 VanDerWaalsContact O-N 3.13Å; Q504-Q506 PolarHBondContact O-N 3.35Å; Q504-D507 PolarHBondContact O-N 3.46Å; Q504-D507 VanDerWaalsContact O-N 3.13Å; Q504-S510 WeakPolarHBondContact O-CB 3.47Å; Q504-S510 PolarHBondContact O-OG 3.21Å; Q504-Q512 HydrophobicContact CB-CB 4.39Å; Q504-Q512 HydrophobicContact CB-CG 4.43Å |
| 505 | L | 84.8 | Confident | 77.3 | Confident | 37 Ų | 37 | 54.3 Ų | 54.3 | 19% | 0.194 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.5 | -21.1 | 175.7 | -69.9 | 178.5 | 0 | 0 | 0 | 113.3 | L501 L503 Q512 L516 L565 | L501-L505 HydrophobicContact CD1-CD1 4.29Å; L501-L505 HydrophobicContact CD1-CD2 4.48Å; L501-L505 HydrophobicContact CD1-CG 4.12Å; L501-L505 HydrophobicContact CD2-CD1 4.25Å; L501-L505 HydrophobicContact CG-CD1 3.88Å; L501-L505 HydrophobicContact CG-CG 4.12Å; L501-L505 WeakPolarHBondContact O-CB 3.43Å; L501-L505 VanDerWaalsContact O-CG 3.3Å; L501-L505 WeakPolarHBondContact O-CG 3.3Å; L501-L505 PolarHBondContact O-N 3.2Å; L503-L505 VanDerWaalsContact C-N 3.35Å; L503-L505 PolarHBondContact O-N 2.97Å; L505-Q512 HydrophobicContact CD2-CB 4.05Å; L505-L516 HydrophobicContact CD1-CD2 4.24Å; L505-L516 HydrophobicContact CD2-CB 4.12Å; L505-L516 HydrophobicContact CD2-CD2 3.73Å; L505-L565 HydrophobicContact CD2-CD2 4.35Å |
| 506 | Q | 76.2 | Confident | 78.8 | Confident | 151 Ų | 151 | 52.4 Ų | 52.4 | 71% | 0.706 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -73.2 | -26.2 | 172.9 | -69.3 | 173.5 | 2.8 | 0 | 0 | 113 | K502 L503 Q504 P508 | K502-Q506 WeakPolarHBondContact O-CG 3.48Å; K502-Q506 PolarHBondContact O-N 3.11Å; L503-Q506 WeakPolarHBondContact O-CB 3.16Å; L503-Q506 PolarHBondContact O-N 2.67Å; Q504-Q506 PolarHBondContact O-N 3.35Å; Q506-P508 WeakPolarHBondContact O-CD 3.39Å |
| 507 | D | 76.3 | Confident | 80.5 | Confident | 72 Ų | 72 | 52.8 Ų | 52.8 | 39% | 0.385 | 28% | 0.276 | S | S | . | . | trans | -85.2 | 112.7 | 174.7 | 177.5 | 10.2 | 0 | 0 | 0 | 110 | Q504 N509 S510 S513 | Q504-D507 PolarHBondContact O-N 3.46Å; Q504-D507 VanDerWaalsContact O-N 3.13Å; D507-N509 PolarHBondContact O-N 3.24Å; D507-N509 VanDerWaalsContact O-N 3.14Å; D507-N509 WeakPolarHBondContact OD1-CB 3.43Å; D507-N509 PolarHBondContact OD1-N 2.64Å; D507-S510 WeakPolarHBondContact O-CB 3.49Å; D507-S510 PolarHBondContact O-N 2.99Å; D507-S510 VanDerWaalsContact O-N 3.07Å; D507-S510 PolarHBondContact O-OG 3.06Å; D507-S513 WeakPolarHBondContact O-CB 3.19Å | ||
| 508 | P | 80.3 | Confident | 81.8 | Confident | 79 Ų | 79 | 53.9 Ų | 53.9 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.9 | 178.8 | 28.7 | -36 | 0 | 0 | 0 | 113.2 | Q506 R514 | Q506-P508 WeakPolarHBondContact O-CD 3.39Å; P508-R514 PolarHBondContact O-NE 3.27Å; P508-R514 PolarHBondContact O-NH2 2.7Å |
| 509 | N | 79.3 | Confident | 82.7 | Confident | 103 Ų | 103 | 51.4 Ų | 51.4 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 0.5 | 177.1 | -63.6 | -37.3 | 0 | 0 | 0 | 113.2 | A423 D507 R514 | A423-N509 VanDerWaalsContact CB-O 3.27Å; A423-N509 WeakPolarHBondContact CB-O 3.17Å; D507-N509 PolarHBondContact O-N 3.24Å; D507-N509 VanDerWaalsContact O-N 3.14Å; D507-N509 WeakPolarHBondContact OD1-CB 3.43Å; D507-N509 PolarHBondContact OD1-N 2.64Å; N509-R514 PolarHBondContact OD1-NH2 2.96Å |
| 510 | S | 82.9 | Confident | 83.9 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -70.7 | 150.1 | 174.5 | 75.7 | 0 | 0 | 0 | 0 | 111.5 | Q504 D507 Q512 S513 R514 | Q504-S510 WeakPolarHBondContact O-CB 3.47Å; Q504-S510 PolarHBondContact O-OG 3.21Å; D507-S510 WeakPolarHBondContact O-CB 3.49Å; D507-S510 PolarHBondContact O-N 2.99Å; D507-S510 VanDerWaalsContact O-N 3.07Å; D507-S510 PolarHBondContact O-OG 3.06Å; S510-Q512 PolarHBondContact O-N 3.25Å; S510-S513 PolarHBondContact O-N 2.96Å; S510-S513 WeakPolarHBondContact OG-CB 3.4Å; S510-S513 PolarHBondContact OG-N 3.17Å; S510-R514 VanDerWaalsContact O-CG 3.28Å; S510-R514 WeakPolarHBondContact O-CG 3.26Å; S510-R514 PolarHBondContact O-N 2.89Å; S510-R514 VanDerWaalsContact O-N 3.12Å |
| 511 | A | 86.4 | Confident | 85 | Confident | 12 Ų | 12 | 52.6 Ų | 52.6 | 10% | 0.099 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -35.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T422 A423 Y426 T459 R514 L515 | T422-A511 HydrophobicContact CG2-CB 3.91Å; A423-A511 HydrophobicContact CB-CB 4.32Å; Y426-A511 HydrophobicContact CD2-CB 4.24Å; Y426-A511 HydrophobicContact CE2-CB 4.04Å; T459-A511 HydrophobicContact CG2-CB 3.98Å; A511-R514 PolarHBondContact O-N 3.14Å; A511-L515 VanDerWaalsContact O-CB 3.29Å; A511-L515 WeakPolarHBondContact O-CB 3.37Å; A511-L515 PolarHBondContact O-N 3.47Å |
| 512 | Q | 89 | Confident | 85.5 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.6 | -42.8 | -179.2 | -65.8 | 72.2 | 13 | 0 | 0 | 111.3 | T459 L501 Q504 L505 S510 L515 L516 L565 | T459-Q512 HydrophobicContact CG2-CG 3.95Å; T459-Q512 PolarHBondContact O-NE2 3.38Å; L501-Q512 HydrophobicContact CD1-CB 4.07Å; L501-Q512 HydrophobicContact CD1-CG 3.95Å; Q504-Q512 HydrophobicContact CB-CB 4.39Å; Q504-Q512 HydrophobicContact CB-CG 4.43Å; L505-Q512 HydrophobicContact CD2-CB 4.05Å; S510-Q512 PolarHBondContact O-N 3.25Å; Q512-L515 PolarHBondContact O-N 2.81Å; Q512-L516 VanDerWaalsContact O-CB 3.31Å; Q512-L516 WeakPolarHBondContact O-CB 3.09Å; Q512-L516 PolarHBondContact O-N 2.99Å; Q512-L565 HydrophobicContact CB-CD2 4.16Å |
| 513 | S | 88.6 | Confident | 85.9 | Confident | 28 Ų | 28 | 48 Ų | 48 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.1 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | D507 S510 L516 S517 | D507-S513 WeakPolarHBondContact O-CB 3.19Å; S510-S513 PolarHBondContact O-N 2.96Å; S510-S513 WeakPolarHBondContact OG-CB 3.4Å; S510-S513 PolarHBondContact OG-N 3.17Å; S513-L516 PolarHBondContact O-N 2.68Å; S513-S517 PolarHBondContact O-N 2.7Å |
| 514 | R | 91.5 | Very high | 86.8 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 30% | 0.298 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 174.3 | -61.5 | -67.7 | 175.7 | 159.8 | 4.8 | 111.9 | Y426 P508 N509 S510 A511 L516 S517 L518 | Y426-R514 HydrophobicContact CD2-CB 4.37Å; Y426-R514 HydrophobicContact CG-CB 4.25Å; P508-R514 PolarHBondContact O-NE 3.27Å; P508-R514 PolarHBondContact O-NH2 2.7Å; N509-R514 PolarHBondContact OD1-NH2 2.96Å; S510-R514 VanDerWaalsContact O-CG 3.28Å; S510-R514 WeakPolarHBondContact O-CG 3.26Å; S510-R514 PolarHBondContact O-N 2.89Å; S510-R514 VanDerWaalsContact O-N 3.12Å; A511-R514 PolarHBondContact O-N 3.14Å; R514-L516 PolarHBondContact O-N 2.99Å; R514-S517 PolarHBondContact O-N 3.18Å; R514-S517 PolarHBondContact O-OG 3.43Å; R514-L518 PolarHBondContact O-N 3.41Å |
| 515 | L | 93.4 | Very high | 87.3 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 174.4 | 175 | 60.1 | 0 | 0 | 0 | 111.8 | Y426 L456 T459 A511 Q512 S517 L518 L519 L522 L561 A564 L565 | Y426-L515 HydrophobicContact CD1-CB 4.3Å; Y426-L515 HydrophobicContact CD1-CD1 4.34Å; Y426-L515 HydrophobicContact CE1-CB 3.89Å; Y426-L515 HydrophobicContact CE1-CD1 3.55Å; Y426-L515 HydrophobicContact CE1-CG 4.18Å; Y426-L515 HydrophobicContact CE2-CB 4.12Å; L456-L515 HydrophobicContact CD2-CD1 3.63Å; L456-L515 HydrophobicContact CD2-CD2 3.76Å; L456-L515 HydrophobicContact CD2-CG 4.37Å; T459-L515 HydrophobicContact CG2-CD2 3.96Å; A511-L515 VanDerWaalsContact O-CB 3.29Å; A511-L515 WeakPolarHBondContact O-CB 3.37Å; A511-L515 PolarHBondContact O-N 3.47Å; Q512-L515 PolarHBondContact O-N 2.81Å; L515-S517 VanDerWaalsContact C-N 3.27Å; L515-S517 PolarHBondContact O-N 3.08Å; L515-L518 CarbonylContact O-C 3.59Å; L515-L518 PolarHBondContact O-N 3.32Å; L515-L518 VanDerWaalsContact O-N 3.08Å; L515-L519 PolarHBondContact O-N 3.07Å; L515-L522 HydrophobicContact CD1-CD2 4.04Å; L515-L561 HydrophobicContact CD1-CD1 3.98Å; L515-L561 HydrophobicContact CD2-CD1 4.18Å; L515-L561 HydrophobicContact CG-CD1 4.32Å; L515-A564 HydrophobicContact CD2-CB 3.67Å; L515-L565 HydrophobicContact CB-CD1 4.48Å; L515-L565 HydrophobicContact CD2-CD1 3.93Å; L515-L565 HydrophobicContact CD2-CD2 4.37Å; L515-L565 HydrophobicContact CD2-CG 3.77Å; L515-L565 HydrophobicContact CG-CD1 3.74Å; L515-L565 HydrophobicContact CG-CG 4.14Å |
| 516 | L | 92.2 | Very high | 87.4 | Confident | 57 Ų | 57 | 50 Ų | 50 | 30% | 0.298 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 177.7 | -176.5 | 64.7 | 0 | 0 | 0 | 111.4 | L505 Q512 S513 R514 L518 L519 L565 Q568 | L505-L516 HydrophobicContact CD1-CD2 4.24Å; L505-L516 HydrophobicContact CD2-CB 4.12Å; L505-L516 HydrophobicContact CD2-CD2 3.73Å; Q512-L516 VanDerWaalsContact O-CB 3.31Å; Q512-L516 WeakPolarHBondContact O-CB 3.09Å; Q512-L516 PolarHBondContact O-N 2.99Å; S513-L516 PolarHBondContact O-N 2.68Å; R514-L516 PolarHBondContact O-N 2.99Å; L516-L518 VanDerWaalsContact C-N 3.29Å; L516-L518 PolarHBondContact O-N 3.04Å; L516-L519 HydrophobicContact CD1-CD2 3.89Å; L516-L519 VanDerWaalsContact O-CB 3.23Å; L516-L519 WeakPolarHBondContact O-CB 3.42Å; L516-L519 PolarHBondContact O-N 3.35Å; L516-L565 HydrophobicContact CB-CD1 4.25Å; L516-L565 HydrophobicContact CB-CD2 4.48Å; L516-L565 HydrophobicContact CD1-CD1 4.14Å; L516-Q568 HydrophobicContact CD1-CB 4.15Å; L516-Q568 HydrophobicContact CD1-CG 4.38Å |
| 517 | S | 91.5 | Very high | 87.8 | Confident | 86 Ų | 86 | 45.8 Ų | 45.8 | 60% | 0.601 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -65.2 | -30.7 | 175.6 | 76.8 | 0 | 0 | 0 | 0 | 113.5 | S513 R514 L515 | S513-S517 PolarHBondContact O-N 2.7Å; R514-S517 PolarHBondContact O-N 3.18Å; R514-S517 PolarHBondContact O-OG 3.43Å; L515-S517 VanDerWaalsContact C-N 3.27Å; L515-S517 PolarHBondContact O-N 3.08Å |
| 518 | L | 92.3 | Very high | 88.1 | Confident | 28 Ų | 28 | 47.2 Ų | 47.2 | 15% | 0.147 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -88.6 | -11 | 177.4 | -71.6 | 179.1 | 0 | 0 | 0 | 113.8 | Y426 A430 P431 I434 R514 L515 L516 P520 T521 L522 | Y426-L518 HydrophobicContact CD1-CD1 4.07Å; Y426-L518 WeakPolarHBondContact O-CD1 3.36Å; A430-L518 HydrophobicContact CB-CD1 3.79Å; P431-L518 HydrophobicContact CG-CD1 4.38Å; P431-L518 HydrophobicContact CG-CD2 4.28Å; I434-L518 HydrophobicContact CD1-CB 4.46Å; I434-L518 HydrophobicContact CD1-CD1 4.49Å; R514-L518 PolarHBondContact O-N 3.41Å; L515-L518 CarbonylContact O-C 3.59Å; L515-L518 PolarHBondContact O-N 3.32Å; L515-L518 VanDerWaalsContact O-N 3.08Å; L516-L518 VanDerWaalsContact C-N 3.29Å; L516-L518 PolarHBondContact O-N 3.04Å; L518-P520 VanDerWaalsContact C-CD 3.42Å; L518-T521 PolarHBondContact O-N 3.13Å; L518-T521 VanDerWaalsContact O-N 3.14Å; L518-L522 WeakPolarHBondContact O-CB 3.41Å; L518-L522 PolarHBondContact O-N 3.38Å |
| 519 | L | 92.5 | Very high | 88 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -51.1 | -44 | -174.1 | 178 | 63.4 | 0 | 0 | 0 | 113.7 | L515 L516 T521 L522 Y523 L561 L565 L569 Y572 | L515-L519 PolarHBondContact O-N 3.07Å; L516-L519 HydrophobicContact CD1-CD2 3.89Å; L516-L519 VanDerWaalsContact O-CB 3.23Å; L516-L519 WeakPolarHBondContact O-CB 3.42Å; L516-L519 PolarHBondContact O-N 3.35Å; L519-T521 PolarHBondContact O-N 2.73Å; L519-L522 PolarHBondContact O-N 3.28Å; L519-Y523 WeakPolarHBondContact O-CB 3.45Å; L519-Y523 PolarHBondContact O-N 3.39Å; L519-L561 HydrophobicContact CD1-CD1 4Å; L519-L561 HydrophobicContact CD1-CD2 3.63Å; L519-L561 HydrophobicContact CD1-CG 4.09Å; L519-L565 HydrophobicContact CD2-CD1 4.37Å; L519-L569 HydrophobicContact CD1-CD2 3.64Å; L519-L569 HydrophobicContact CD2-CD2 4.27Å; L519-Y572 HydrophobicContact CD1-CE2 4.28Å; L519-Y572 HydrophobicContact CD2-CD2 4.39Å; L519-Y572 HydrophobicContact CD2-CE2 3.75Å; L519-Y572 HydrophobicContact CG-CD2 4.35Å; L519-Y572 HydrophobicContact CG-CE2 3.64Å |
| 520 | P | 91.7 | Very high | 87.7 | Confident | 62 Ų | 62 | 40 Ų | 40 | 40% | 0.403 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 179.1 | -20.3 | 32.2 | 0 | 0 | 0 | 113.4 | L518 R524 Y572 | L518-P520 VanDerWaalsContact C-CD 3.42Å; P520-R524 WeakPolarHBondContact O-CB 3.16Å; P520-R524 PolarHBondContact O-N 3.07Å; P520-R524 VanDerWaalsContact O-N 3.08Å; P520-Y572 WeakPolarHBondContact CA-OH 3.2Å; P520-Y572 WeakPolarHBondContact CB-OH 3.43Å; P520-Y572 WeakPolarHBondContact CG-OH 3.46Å |
| 521 | T | 90.3 | Very high | 86.9 | Confident | 78 Ų | 78 | 41.8 Ų | 41.8 | 48% | 0.479 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.1 | -43 | 179.6 | -46.3 | 0 | 0 | 0 | 0 | 110.6 | I434 L518 L519 R524 G525 | I434-T521 HydrophobicContact CG2-CG2 3.82Å; L518-T521 PolarHBondContact O-N 3.13Å; L518-T521 VanDerWaalsContact O-N 3.14Å; L519-T521 PolarHBondContact O-N 2.73Å; T521-R524 PolarHBondContact O-N 3.46Å; T521-G525 PolarHBondContact O-N 3.49Å |
| 522 | L | 90.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -49.6 | 177.4 | 173.9 | 56.6 | 0 | 0 | 0 | 111.4 | I434 F437 L452 L456 L515 L518 L519 G525 I526 L561 | I434-L522 HydrophobicContact CD1-CB 3.86Å; I434-L522 HydrophobicContact CD1-CD1 4.2Å; I434-L522 HydrophobicContact CG1-CB 4.38Å; I434-L522 HydrophobicContact CG1-CD1 3.92Å; F437-L522 HydrophobicContact CE2-CD1 4.2Å; F437-L522 HydrophobicContact CZ-CD1 3.95Å; L452-L522 HydrophobicContact CD2-CD1 3.43Å; L452-L522 VanDerWaalsContact CD2-CD1 3.43Å; L456-L522 HydrophobicContact CD2-CD2 4.48Å; L515-L522 HydrophobicContact CD1-CD2 4.04Å; L518-L522 WeakPolarHBondContact O-CB 3.41Å; L518-L522 PolarHBondContact O-N 3.38Å; L519-L522 PolarHBondContact O-N 3.28Å; L522-G525 WeakPolarHBondContact O-CA 3.32Å; L522-G525 PolarHBondContact O-N 3.08Å; L522-G525 VanDerWaalsContact O-N 3.15Å; L522-I526 HydrophobicContact CD1-CD1 4.19Å; L522-I526 HydrophobicContact CD1-CG1 4.36Å; L522-I526 HydrophobicContact CG-CD1 4.22Å; L522-I526 WeakPolarHBondContact O-CG1 3.4Å; L522-I526 PolarHBondContact O-N 3.06Å; L522-L561 HydrophobicContact CD2-CD1 3.77Å; L522-L561 HydrophobicContact CD2-CD2 4.27Å |
| 523 | Y | 88.5 | Confident | 83.5 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -43.6 | -178.4 | -170.8 | -90.3 | 0 | 0 | 0 | 112 | L519 G525 I526 E527 Y572 N575 I576 | L519-Y523 WeakPolarHBondContact O-CB 3.45Å; L519-Y523 PolarHBondContact O-N 3.39Å; Y523-G525 PolarHBondContact O-N 3.48Å; Y523-I526 PolarHBondContact O-N 3.5Å; Y523-E527 HydrophobicContact CE1-CB 4.15Å; Y523-E527 WeakPolarHBondContact O-CB 3.36Å; Y523-E527 PolarHBondContact O-N 2.89Å; Y523-Y572 AromaticContact CD1-CD1 3.14Å; Y523-Y572 HydrophobicContact CD1-CD1 3.14Å; Y523-Y572 AromaticContact CD1-CE1 3.93Å; Y523-Y572 HydrophobicContact CD1-CE1 3.93Å; Y523-Y572 AromaticContact CD1-CG 3.6Å; Y523-Y572 HydrophobicContact CD1-CG 3.6Å; Y523-Y572 HydrophobicContact CD2-CD1 4.25Å; Y523-Y572 HydrophobicContact CD2-CD2 4.44Å; Y523-Y572 AromaticContact CD2-CG 3.86Å; Y523-Y572 HydrophobicContact CD2-CG 3.86Å; Y523-Y572 AromaticContact CE1-CD1 3.78Å; Y523-Y572 HydrophobicContact CE1-CD1 3.78Å; Y523-Y572 HydrophobicContact CE1-CG 4.06Å; Y523-Y572 HydrophobicContact CE2-CG 4.29Å; Y523-Y572 AromaticContact CG-CD1 3.43Å; Y523-Y572 HydrophobicContact CG-CD1 3.43Å; Y523-Y572 VanDerWaalsContact CG-CD1 3.43Å; Y523-Y572 HydrophobicContact CG-CD2 4.2Å; Y523-Y572 HydrophobicContact CG-CE1 4.08Å; Y523-Y572 AromaticContact CG-CG 3.5Å; Y523-Y572 HydrophobicContact CG-CG 3.5Å; Y523-Y572 VanDerWaalsContact CG-CG 3.5Å; Y523-Y572 PolarHBondContact OH-O 3.22Å; Y523-N575 HydrophobicContact CE1-CB 3.76Å; Y523-N575 VanDerWaalsContact OH-C 3.3Å; Y523-N575 WeakPolarHBondContact OH-CB 3.26Å; Y523-I576 HydrophobicContact CE2-CD1 3.96Å; Y523-I576 HydrophobicContact CE2-CG1 3.56Å; Y523-I576 WeakPolarHBondContact OH-CG1 3.28Å; Y523-I576 PolarHBondContact OH-N 2.98Å |
| 524 | R | 88 | Confident | 81.4 | Confident | 162 Ų | 162 | 52.2 Ų | 52.2 | 61% | 0.611 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -55.7 | -38.8 | 173.1 | -175.6 | -175.8 | -70.2 | 168.3 | -4 | 111.3 | P520 T521 K528 | P520-R524 WeakPolarHBondContact O-CB 3.16Å; P520-R524 PolarHBondContact O-N 3.07Å; P520-R524 VanDerWaalsContact O-N 3.08Å; T521-R524 PolarHBondContact O-N 3.46Å; R524-K528 WeakPolarHBondContact O-CG 3.23Å; R524-K528 PolarHBondContact O-N 3.11Å; R524-K528 VanDerWaalsContact O-N 3.11Å |
| 525 | G | 86.7 | Confident | 79.1 | Confident | 9 Ų | 9 | 53.5 Ų | 53.5 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -53.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | F437 T521 L522 Y523 E527 K528 Q529 | F437-G525 VanDerWaalsContact CD2-C 3.47Å; T521-G525 PolarHBondContact O-N 3.49Å; L522-G525 WeakPolarHBondContact O-CA 3.32Å; L522-G525 PolarHBondContact O-N 3.08Å; L522-G525 VanDerWaalsContact O-N 3.15Å; Y523-G525 PolarHBondContact O-N 3.48Å; G525-E527 VanDerWaalsContact C-N 3.32Å; G525-E527 PolarHBondContact O-N 3.44Å; G525-K528 PolarHBondContact O-N 3.13Å; G525-Q529 WeakPolarHBondContact O-CG 3.44Å; G525-Q529 PolarHBondContact O-N 2.87Å |
| 526 | I | 87.9 | Confident | 76.7 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 179.4 | -63.7 | 170.8 | 0 | 0 | 0 | 111.1 | F437 L522 Y523 K528 Q529 A554 L557 | F437-I526 HydrophobicContact CE2-CG1 4.01Å; L522-I526 HydrophobicContact CD1-CD1 4.19Å; L522-I526 HydrophobicContact CD1-CG1 4.36Å; L522-I526 HydrophobicContact CG-CD1 4.22Å; L522-I526 WeakPolarHBondContact O-CG1 3.4Å; L522-I526 PolarHBondContact O-N 3.06Å; Y523-I526 PolarHBondContact O-N 3.5Å; I526-K528 PolarHBondContact O-N 3.26Å; I526-Q529 WeakPolarHBondContact O-CB 3.02Å; I526-Q529 PolarHBondContact O-N 2.98Å; I526-A554 HydrophobicContact CG2-CB 3.93Å; I526-L557 HydrophobicContact CD1-CB 4Å; I526-L557 HydrophobicContact CG1-CD1 4.3Å |
| 527 | E | 84.1 | Confident | 74.1 | Confident | 61 Ų | 61 | 66 Ų | 66 | 29% | 0.285 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | -179.7 | -179.8 | 170.8 | -147.9 | 0 | 0 | 112.2 | Y523 G525 Q529 T530 S531 N575 | Y523-E527 HydrophobicContact CE1-CB 4.15Å; Y523-E527 WeakPolarHBondContact O-CB 3.36Å; Y523-E527 PolarHBondContact O-N 2.89Å; G525-E527 VanDerWaalsContact C-N 3.32Å; G525-E527 PolarHBondContact O-N 3.44Å; E527-Q529 VanDerWaalsContact C-N 3.28Å; E527-Q529 PolarHBondContact O-N 3.37Å; E527-T530 PolarHBondContact O-N 3.33Å; E527-T530 PolarHBondContact O-OG1 3.48Å; E527-S531 WeakPolarHBondContact O-CB 3.3Å; E527-S531 PolarHBondContact O-N 2.97Å; E527-S531 PolarHBondContact O-OG 3.37Å; E527-N575 VanDerWaalsContact CD-ND2 3.31Å; E527-N575 PolarHBondContact OE1-ND2 3.29Å; E527-N575 PolarHBondContact OE2-ND2 3.2Å |
| 528 | K | 82.2 | Confident | 71.5 | Confident | 103 Ų | 103 | 68.3 Ų | 68.3 | 45% | 0.448 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.5 | -40.7 | 176.1 | -78.2 | -177.5 | 177.9 | -170.8 | 0 | 112.2 | R524 G525 I526 T530 S531 Q532 | R524-K528 WeakPolarHBondContact O-CG 3.23Å; R524-K528 PolarHBondContact O-N 3.11Å; R524-K528 VanDerWaalsContact O-N 3.11Å; G525-K528 PolarHBondContact O-N 3.13Å; I526-K528 PolarHBondContact O-N 3.26Å; K528-T530 PolarHBondContact O-N 3.38Å; K528-S531 PolarHBondContact O-N 3.06Å; K528-Q532 WeakPolarHBondContact O-CG 3.36Å; K528-Q532 PolarHBondContact O-N 3.42Å |
| 529 | Q | 78 | Confident | 69 | Low | 7 Ų | 7 | 76 Ų | 76 | 3% | 0.033 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.9 | -23.8 | 179.3 | -61.4 | -56.8 | -50.5 | 0 | 0 | 113.6 | F437 R445 F449 G525 I526 E527 | F437-Q529 HydrophobicContact CD2-CG 4.33Å; F437-Q529 PolarHBondContact O-NE2 3.38Å; R445-Q529 VanDerWaalsContact CD-OE1 3.24Å; F449-Q529 HydrophobicContact CE1-CG 4.39Å; F449-Q529 HydrophobicContact CZ-CG 3.81Å; G525-Q529 WeakPolarHBondContact O-CG 3.44Å; G525-Q529 PolarHBondContact O-N 2.87Å; I526-Q529 WeakPolarHBondContact O-CB 3.02Å; I526-Q529 PolarHBondContact O-N 2.98Å; E527-Q529 VanDerWaalsContact C-N 3.28Å; E527-Q529 PolarHBondContact O-N 3.37Å |
| 530 | T | 74 | Confident | 67.1 | Low | 22 Ų | 22 | 79.4 Ų | 79.4 | 14% | 0.135 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -98.4 | -26.2 | -179.2 | 65 | 0 | 0 | 0 | 0 | 112.4 | E527 K528 A554 M579 | E527-T530 PolarHBondContact O-N 3.33Å; E527-T530 PolarHBondContact O-OG1 3.48Å; K528-T530 PolarHBondContact O-N 3.38Å; T530-A554 HydrophobicContact CG2-CB 3.72Å; T530-M579 HydrophobicContact CG2-CE 3.56Å; T530-M579 HydrophobicContact CG2-CG 3.95Å; T530-M579 HydrophobicContact CG2-SD 3.69Å |
| 531 | S | 66.4 | Low | 65.3 | Low | 49 Ų | 49 | 84.6 Ų | 84.6 | 34% | 0.343 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -88.4 | -23.4 | -174.2 | -57.2 | 0 | 0 | 0 | 0 | 114.4 | E527 K528 S533 I534 | E527-S531 WeakPolarHBondContact O-CB 3.3Å; E527-S531 PolarHBondContact O-N 2.97Å; E527-S531 PolarHBondContact O-OG 3.37Å; K528-S531 PolarHBondContact O-N 3.06Å; S531-S533 PolarHBondContact O-N 3.13Å; S531-I534 PolarHBondContact O-N 3.34Å |
| 532 | Q | 57.6 | Low | 63.6 | Low | 102 Ų | 102 | 86.5 Ų | 86.5 | 48% | 0.477 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -13.6 | -177.9 | -82.5 | 170.7 | -0.2 | 0 | 0 | 114.7 | K528 | K528-Q532 WeakPolarHBondContact O-CG 3.36Å; K528-Q532 PolarHBondContact O-N 3.42Å |
| 533 | S | 46.4 | Very low | 62.1 | Low | 48 Ų | 48 | 89 Ų | 89 | 34% | 0.336 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -17.4 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 115.5 | S531 S535 N536 | S531-S533 PolarHBondContact O-N 3.13Å; S533-S535 PolarHBondContact O-N 3.3Å; S533-N536 PolarHBondContact O-N 3.01Å |
| 534 | I | 45 | Very low | 60.8 | Low | 125 Ų | 125 | 92.4 Ų | 92.4 | 64% | 0.641 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -30.6 | -174.6 | -62.3 | 175.4 | 0 | 0 | 0 | 110.9 | S531 | S531-I534 PolarHBondContact O-N 3.34Š|
| 535 | S | 42.9 | Very low | 59.5 | Low | 107 Ų | 107 | 94 Ų | 94 | 75% | 0.748 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -35.7 | -179.4 | -170.4 | 0 | 0 | 0 | 0 | 113.9 | S533 K537 | S533-S535 PolarHBondContact O-N 3.3Å; S535-K537 PolarHBondContact O-N 2.85Å |
| 536 | N | 43.2 | Very low | 58.5 | Low | 125 Ų | 125 | 95.6 Ų | 95.6 | 67% | 0.668 | 49% | 0.491 | S | S | * | . | trans | -104.8 | 70.3 | -167.1 | -66.9 | -2.6 | 0 | 0 | 0 | 111.4 | S533 I538 | S533-N536 PolarHBondContact O-N 3.01Å; N536-I538 PolarHBondContact O-N 3.1Å | ||
| 537 | K | 37 | Very low | 57.6 | Low | 195 Ų | 195 | 96.6 Ų | 96.6 | 85% | 0.848 | 50% | 0.497 | S | S | * | . | trans | -80.6 | 15.4 | -175.3 | -123.4 | -179.8 | -174.5 | 179.5 | 0 | 115.3 | S535 | S535-K537 PolarHBondContact O-N 2.85Š| ||
| 538 | I | 37.3 | Very low | 57.1 | Low | 136 Ų | 136 | 94.2 Ų | 94.2 | 70% | 0.697 | 49% | 0.487 | S | S | * | . | trans | -134.2 | 118.4 | -169 | -61.7 | 177.6 | 0 | 0 | 0 | 110.9 | N536 | N536-I538 PolarHBondContact O-N 3.1Š| ||
| 539 | K | 39.7 | Very low | 56.9 | Low | 188 Ų | 188 | 91.5 Ų | 91.5 | 82% | 0.817 | 48% | 0.479 | S | S | * | . | trans | 93.7 | 131.3 | 161.7 | -64.5 | 157.4 | -173.6 | -174.5 | 0 | 119 | ||||
| 540 | S | 52.1 | Low | 57 | Low | 79 Ų | 79 | 92.1 Ų | 92.1 | 55% | 0.552 | 48% | 0.481 | S | S | * | . | trans | 93.5 | 128.7 | 162.8 | -173.6 | 0 | 0 | 0 | 0 | 119.8 | N542 A543 | S540-N542 VanDerWaalsContact C-N 3.27Å; S540-N542 PolarHBondContact O-N 3.46Å; S540-N542 PolarHBondContact OG-N 2.85Å; S540-A543 WeakPolarHBondContact O-CB 3.48Å; S540-A543 PolarHBondContact O-N 2.85Å | ||
| 541 | Q | 54 | Low | 57.2 | Low | 172 Ų | 172 | 92 Ų | 92 | 80% | 0.804 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.9 | -28.5 | 170.3 | -72.4 | -179 | -7.8 | 0 | 0 | 112.9 | A543 N544 | Q541-A543 VanDerWaalsContact C-N 3.32Å; Q541-A543 PolarHBondContact O-N 3.31Å; Q541-N544 PolarHBondContact O-N 3.47Å |
| 542 | N | 55.3 | Low | 57.9 | Low | 117 Ų | 117 | 92.1 Ų | 92.1 | 63% | 0.626 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.6 | -34.7 | 177.2 | -81.2 | -13.2 | 0 | 0 | 0 | 111.7 | S540 N544 R545 V546 | S540-N542 VanDerWaalsContact C-N 3.27Å; S540-N542 PolarHBondContact O-N 3.46Å; S540-N542 PolarHBondContact OG-N 2.85Å; N542-N544 VanDerWaalsContact C-N 3.28Å; N542-N544 PolarHBondContact O-N 3.29Å; N542-R545 PolarHBondContact O-N 3.43Å; N542-V546 WeakPolarHBondContact O-CG2 3.5Å; N542-V546 PolarHBondContact O-N 3.2Å; N542-V546 VanDerWaalsContact O-N 3.16Å |
| 543 | A | 57.8 | Low | 59.1 | Low | 53 Ų | 53 | 88.4 Ų | 88.4 | 44% | 0.438 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60 | -38 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | S540 Q541 L547 | S540-A543 WeakPolarHBondContact O-CB 3.48Å; S540-A543 PolarHBondContact O-N 2.85Å; Q541-A543 VanDerWaalsContact C-N 3.32Å; Q541-A543 PolarHBondContact O-N 3.31Å; A543-L547 VanDerWaalsContact O-CB 3.25Å; A543-L547 WeakPolarHBondContact O-CB 3.36Å; A543-L547 PolarHBondContact O-N 3.03Å |
| 544 | N | 60.7 | Low | 61 | Low | 78 Ų | 78 | 86.3 Ų | 86.3 | 42% | 0.417 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 177.6 | -74.3 | -19.3 | 0 | 0 | 0 | 112.7 | Q541 N542 S548 | Q541-N544 PolarHBondContact O-N 3.47Å; N542-N544 VanDerWaalsContact C-N 3.28Å; N542-N544 PolarHBondContact O-N 3.29Å; N544-S548 PolarHBondContact O-N 3.21Å; N544-S548 VanDerWaalsContact O-N 3.14Å |
| 545 | R | 61.9 | Low | 63.1 | Low | 195 Ų | 195 | 80.4 Ų | 80.4 | 74% | 0.736 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.4 | -48.9 | 179 | -177 | -180 | 175.3 | -176.9 | -2.2 | 111 | N542 L547 S548 V549 | N542-R545 PolarHBondContact O-N 3.43Å; R545-L547 VanDerWaalsContact C-N 3.33Å; R545-L547 PolarHBondContact O-N 3.09Å; R545-S548 WeakPolarHBondContact O-CB 3.4Å; R545-S548 PolarHBondContact O-N 3.48Å; R545-V549 PolarHBondContact O-N 2.5Å |
| 546 | V | 65.4 | Low | 65.2 | Low | 42 Ų | 42 | 77.6 Ų | 77.6 | 26% | 0.255 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.5 | -44.9 | 179.6 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | N542 S548 V549 Y550 | N542-V546 WeakPolarHBondContact O-CG2 3.5Å; N542-V546 PolarHBondContact O-N 3.2Å; N542-V546 VanDerWaalsContact O-N 3.16Å; V546-S548 VanDerWaalsContact C-N 3.33Å; V546-S548 PolarHBondContact O-N 3.4Å; V546-V549 PolarHBondContact O-N 3Å; V546-V549 VanDerWaalsContact O-N 3.11Å; V546-Y550 HydrophobicContact CG1-CD2 3.93Å; V546-Y550 HydrophobicContact CG1-CE2 3.19Å; V546-Y550 WeakPolarHBondContact O-CD2 3.33Å; V546-Y550 PolarHBondContact O-N 3.33Å |
| 547 | L | 69.1 | Low | 67.4 | Low | 25 Ų | 25 | 71.9 Ų | 71.9 | 13% | 0.131 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.3 | -38 | 177.8 | -174.2 | 61.2 | 0 | 0 | 0 | 113.1 | A543 R545 V549 Y550 R551 | A543-L547 VanDerWaalsContact O-CB 3.25Å; A543-L547 WeakPolarHBondContact O-CB 3.36Å; A543-L547 PolarHBondContact O-N 3.03Å; R545-L547 VanDerWaalsContact C-N 3.33Å; R545-L547 PolarHBondContact O-N 3.09Å; L547-V549 VanDerWaalsContact C-N 3.29Å; L547-V549 PolarHBondContact O-N 3.44Å; L547-Y550 PolarHBondContact O-N 3.34Å; L547-R551 VanDerWaalsContact CD2-NH2 3.27Å; L547-R551 WeakPolarHBondContact O-CG 3.44Å; L547-R551 PolarHBondContact O-N 3.47Å |
| 548 | S | 73.1 | Confident | 69.9 | Low | 10 Ų | 10 | 62.6 Ų | 62.6 | 7% | 0.07 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.5 | -34.9 | 176 | -178.9 | 0 | 0 | 0 | 0 | 112.3 | N544 R545 V546 H552 | N544-S548 PolarHBondContact O-N 3.21Å; N544-S548 VanDerWaalsContact O-N 3.14Å; R545-S548 WeakPolarHBondContact O-CB 3.4Å; R545-S548 PolarHBondContact O-N 3.48Å; V546-S548 VanDerWaalsContact C-N 3.33Å; V546-S548 PolarHBondContact O-N 3.4Å; S548-H552 WeakPolarHBondContact O-CB 3.49Å; S548-H552 PolarHBondContact O-N 3.28Å |
| 549 | V | 78.8 | Confident | 72.4 | Confident | 46 Ų | 46 | 58 Ų | 58 | 28% | 0.279 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.9 | -47.9 | 178.8 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | L446 R545 V546 L547 R551 H552 T553 | L446-V549 HydrophobicContact CD1-CG1 4.02Å; L446-V549 HydrophobicContact CD2-CG1 3.61Å; L446-V549 HydrophobicContact CG-CG1 4.45Å; R545-V549 PolarHBondContact O-N 2.5Å; V546-V549 PolarHBondContact O-N 3Å; V546-V549 VanDerWaalsContact O-N 3.11Å; L547-V549 VanDerWaalsContact C-N 3.29Å; L547-V549 PolarHBondContact O-N 3.44Å; V549-R551 PolarHBondContact O-N 3.28Å; V549-H552 WeakPolarHBondContact O-CB 3.1Å; V549-H552 PolarHBondContact O-N 3.36Å; V549-T553 PolarHBondContact O-N 3.04Å; V549-T553 PolarHBondContact O-OG1 3.47Å; V549-T553 VanDerWaalsContact O-OG1 3.1Å |
| 550 | Y | 78.6 | Confident | 74.7 | Confident | 20 Ų | 20 | 49 Ų | 49 | 8% | 0.078 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | -179.8 | -60.6 | -41.2 | 0 | 0 | 0 | 113.5 | E442 R445 L446 F449 V546 L547 H552 T553 A554 | E442-Y550 WeakPolarHBondContact CA-OH 3.48Å; E442-Y550 VanDerWaalsContact CB-OH 3.26Å; E442-Y550 WeakPolarHBondContact CB-OH 3.29Å; E442-Y550 HydrophobicContact CG-CE1 3.99Å; E442-Y550 WeakPolarHBondContact CG-OH 3.5Å; R445-Y550 VanDerWaalsContact NH1-CE2 3.25Å; R445-Y550 PolarHBondContact NH1-OH 3.14Å; L446-Y550 HydrophobicContact CD2-CD1 4.42Å; L446-Y550 HydrophobicContact CD2-CE1 4.43Å; F449-Y550 HydrophobicContact CE2-CD1 4.16Å; V546-Y550 HydrophobicContact CG1-CD2 3.93Å; V546-Y550 HydrophobicContact CG1-CE2 3.19Å; V546-Y550 WeakPolarHBondContact O-CD2 3.33Å; V546-Y550 PolarHBondContact O-N 3.33Å; L547-Y550 PolarHBondContact O-N 3.34Å; Y550-H552 VanDerWaalsContact C-N 3.35Å; Y550-T553 PolarHBondContact O-N 3.45Å; Y550-A554 VanDerWaalsContact O-CB 3.28Å; Y550-A554 WeakPolarHBondContact O-CB 3.38Å; Y550-A554 PolarHBondContact O-N 2.9Å |
| 551 | R | 79.2 | Confident | 76.6 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -44.3 | 173.8 | -73.2 | 173.1 | -179.6 | 162.1 | 2 | 111.5 | L547 V549 T553 A554 F555 M579 S583 D586 | L547-R551 VanDerWaalsContact CD2-NH2 3.27Å; L547-R551 WeakPolarHBondContact O-CG 3.44Å; L547-R551 PolarHBondContact O-N 3.47Å; V549-R551 PolarHBondContact O-N 3.28Å; R551-T553 PolarHBondContact O-N 2.97Å; R551-A554 PolarHBondContact O-N 3.41Å; R551-F555 HydrophobicContact CB-CE2 4.38Å; R551-F555 WeakPolarHBondContact O-CD2 3.4Å; R551-F555 WeakPolarHBondContact O-CG 3.47Å; R551-F555 PolarHBondContact O-N 3.08Å; R551-M579 HydrophobicContact CB-CE 4.23Å; R551-M579 HydrophobicContact CG-CE 4.49Å; R551-M579 VanDerWaalsContact O-CE 3.26Å; R551-M579 WeakPolarHBondContact O-CE 3.46Å; R551-S583 WeakPolarHBondContact CD-OG 3.49Å; R551-D586 IonicContact CZ-OD2 3.96Å; R551-D586 IonicContact NH1-OD2 3.47Å; R551-D586 PolarHBondContact NH1-OD2 3.08Å |
| 552 | H | 81.8 | Confident | 78.2 | Confident | 52 Ų | 52 | 37.1 Ų | 37.1 | 24% | 0.241 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -47.3 | 176.1 | 178.9 | 56 | 0 | 0 | 0 | 111.5 | S548 V549 Y550 A554 F555 M556 A593 | S548-H552 WeakPolarHBondContact O-CB 3.49Å; S548-H552 PolarHBondContact O-N 3.28Å; V549-H552 WeakPolarHBondContact O-CB 3.1Å; V549-H552 PolarHBondContact O-N 3.36Å; Y550-H552 VanDerWaalsContact C-N 3.35Å; H552-A554 VanDerWaalsContact C-N 3.33Å; H552-A554 PolarHBondContact O-N 3.26Å; H552-F555 PolarHBondContact O-N 3.34Å; H552-M556 WeakPolarHBondContact O-CG 3.48Å; H552-M556 PolarHBondContact O-N 3.36Å; H552-A593 HydrophobicContact CB-CB 4.04Å |
| 553 | T | 82.3 | Confident | 79.7 | Confident | 24 Ų | 24 | 32.6 Ų | 32.6 | 15% | 0.147 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.7 | -37.3 | 178 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | F449 V549 Y550 R551 M556 L557 | F449-T553 HydrophobicContact CB-CG2 3.4Å; F449-T553 VanDerWaalsContact CB-CG2 3.4Å; F449-T553 HydrophobicContact CD2-CG2 3.39Å; F449-T553 HydrophobicContact CE2-CG2 4.36Å; F449-T553 HydrophobicContact CG-CG2 3.66Å; V549-T553 PolarHBondContact O-N 3.04Å; V549-T553 PolarHBondContact O-OG1 3.47Å; V549-T553 VanDerWaalsContact O-OG1 3.1Å; Y550-T553 PolarHBondContact O-N 3.45Å; R551-T553 PolarHBondContact O-N 2.97Å; T553-M556 WeakPolarHBondContact O-CB 3.23Å; T553-M556 PolarHBondContact O-N 2.63Å; T553-L557 HydrophobicContact CG2-CD1 4.48Å; T553-L557 WeakPolarHBondContact O-CG 3.31Å; T553-L557 PolarHBondContact O-N 2.99Å |
| 554 | A | 86.8 | Confident | 81 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.033 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.2 | -37.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I526 T530 Y550 R551 H552 L557 N558 M579 | I526-A554 HydrophobicContact CG2-CB 3.93Å; T530-A554 HydrophobicContact CG2-CB 3.72Å; Y550-A554 VanDerWaalsContact O-CB 3.28Å; Y550-A554 WeakPolarHBondContact O-CB 3.38Å; Y550-A554 PolarHBondContact O-N 2.9Å; R551-A554 PolarHBondContact O-N 3.41Å; H552-A554 VanDerWaalsContact C-N 3.33Å; H552-A554 PolarHBondContact O-N 3.26Å; A554-L557 PolarHBondContact O-N 2.84Å; A554-N558 WeakPolarHBondContact O-CB 3.2Å; A554-N558 PolarHBondContact O-N 3.49Å; A554-N558 PolarHBondContact O-ND2 3.15Å; A554-M579 HydrophobicContact CB-CE 3.39Å; A554-M579 HydrophobicContact CB-SD 4.19Å |
| 555 | F | 88.3 | Confident | 82.4 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.1 | -42.8 | 171.2 | -67.1 | -49.8 | 0 | 0 | 0 | 111.8 | R551 H552 L557 N558 R559 M579 I580 S583 E596 M597 V600 | R551-F555 HydrophobicContact CB-CE2 4.38Å; R551-F555 WeakPolarHBondContact O-CD2 3.4Å; R551-F555 WeakPolarHBondContact O-CG 3.47Å; R551-F555 PolarHBondContact O-N 3.08Å; H552-F555 PolarHBondContact O-N 3.34Å; F555-L557 PolarHBondContact O-N 3.4Å; F555-N558 PolarHBondContact O-N 3Å; F555-R559 WeakPolarHBondContact O-CB 3.22Å; F555-R559 PolarHBondContact O-N 3.29Å; F555-M579 HydrophobicContact CD1-CE 3.65Å; F555-M579 HydrophobicContact CD1-SD 4.05Å; F555-M579 HydrophobicContact CD2-CE 4.11Å; F555-M579 HydrophobicContact CE1-CE 3.45Å; F555-M579 VanDerWaalsContact CE1-CE 3.45Å; F555-M579 HydrophobicContact CE1-CG 4.09Å; F555-M579 HydrophobicContact CE1-SD 3.68Å; F555-M579 HydrophobicContact CE2-CE 3.94Å; F555-M579 HydrophobicContact CG-CE 3.96Å; F555-M579 HydrophobicContact CZ-CE 3.61Å; F555-M579 HydrophobicContact CZ-CG 4.27Å; F555-M579 HydrophobicContact CZ-SD 4.27Å; F555-I580 HydrophobicContact CE1-CG1 3.69Å; F555-I580 HydrophobicContact CZ-CG1 4.38Å; F555-S583 WeakPolarHBondContact CZ-OG 3.26Å; F555-E596 HydrophobicContact CB-CB 3.98Å; F555-M597 HydrophobicContact CD1-CB 4.47Å; F555-M597 HydrophobicContact CD2-CB 4.22Å; F555-M597 HydrophobicContact CE1-CB 4.29Å; F555-M597 HydrophobicContact CE1-CG 4.06Å; F555-M597 HydrophobicContact CE2-CB 4.02Å; F555-M597 HydrophobicContact CE2-CG 4.27Å; F555-M597 HydrophobicContact CG-CB 4.45Å; F555-M597 HydrophobicContact CZ-CB 4.05Å; F555-M597 HydrophobicContact CZ-CG 3.84Å; F555-M597 HydrophobicContact CZ-SD 4.29Å; F555-V600 HydrophobicContact CB-CG2 4.45Å; F555-V600 VanDerWaalsContact O-CG2 3.28Å; F555-V600 WeakPolarHBondContact O-CG2 3.4Å |
| 556 | M | 86.5 | Confident | 83.6 | Confident | 49 Ų | 49 | 17.2 Ų | 17.2 | 24% | 0.241 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.6 | -68.9 | -72.4 | -73.7 | 0 | 0 | 111.8 | H552 T553 R559 D560 E596 | H552-M556 WeakPolarHBondContact O-CG 3.48Å; H552-M556 PolarHBondContact O-N 3.36Å; T553-M556 WeakPolarHBondContact O-CB 3.23Å; T553-M556 PolarHBondContact O-N 2.63Å; M556-R559 WeakPolarHBondContact O-CB 3.47Å; M556-R559 PolarHBondContact O-N 3.15Å; M556-R559 PolarHBondContact SD-NH1 3.36Å; M556-D560 WeakPolarHBondContact O-CB 3.42Å; M556-D560 PolarHBondContact O-N 2.99Å; M556-E596 HydrophobicContact CG-CG 4.35Å; M556-E596 HydrophobicContact SD-CG 3.65Å |
| 557 | L | 90.1 | Very high | 84.5 | Confident | 4 Ų | 4 | 16.4 Ų | 16.4 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64 | -43.6 | 176.3 | -72.3 | 174.2 | 0 | 0 | 0 | 111.8 | F449 L452 L456 I526 T553 A554 F555 R559 D560 L561 | F449-L557 HydrophobicContact CB-CD1 4.32Å; F449-L557 HydrophobicContact CD1-CD1 3.91Å; F449-L557 HydrophobicContact CG-CD1 4.18Å; L452-L557 HydrophobicContact CD2-CD2 4.2Å; L452-L557 HydrophobicContact CG-CD2 4.41Å; L456-L557 HydrophobicContact CD1-CD2 4Å; I526-L557 HydrophobicContact CD1-CB 4Å; I526-L557 HydrophobicContact CG1-CD1 4.3Å; T553-L557 HydrophobicContact CG2-CD1 4.48Å; T553-L557 WeakPolarHBondContact O-CG 3.31Å; T553-L557 PolarHBondContact O-N 2.99Å; A554-L557 PolarHBondContact O-N 2.84Å; F555-L557 PolarHBondContact O-N 3.4Å; L557-R559 VanDerWaalsContact C-N 3.32Å; L557-R559 PolarHBondContact O-N 3.32Å; L557-D560 PolarHBondContact O-N 3.49Å; L557-L561 WeakPolarHBondContact O-CB 3.4Å; L557-L561 PolarHBondContact O-N 2.85Å |
| 558 | N | 90.3 | Very high | 85.4 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.2 | -40 | 175.9 | -82 | -65.5 | 0 | 0 | 0 | 112 | A554 F555 L561 A562 V600 | A554-N558 WeakPolarHBondContact O-CB 3.2Å; A554-N558 PolarHBondContact O-N 3.49Å; A554-N558 PolarHBondContact O-ND2 3.15Å; F555-N558 PolarHBondContact O-N 3Å; N558-L561 PolarHBondContact O-N 3.34Å; N558-A562 VanDerWaalsContact O-CB 3.23Å; N558-A562 WeakPolarHBondContact O-CB 3.29Å; N558-A562 PolarHBondContact O-N 3.13Å; N558-V600 HydrophobicContact CB-CG1 4.27Å; N558-V600 HydrophobicContact CB-CG2 4.41Å |
| 559 | R | 88.7 | Confident | 86.2 | Confident | 39 Ų | 39 | 18.2 Ų | 18.2 | 15% | 0.147 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.9 | -50.5 | 174.5 | -173.6 | -166.2 | 65.9 | -173.3 | 3.9 | 110.9 | L491 F555 M556 L557 L561 A562 L563 E596 V600 L603 | L491-R559 HydrophobicContact CD2-CG 4.39Å; F555-R559 WeakPolarHBondContact O-CB 3.22Å; F555-R559 PolarHBondContact O-N 3.29Å; M556-R559 WeakPolarHBondContact O-CB 3.47Å; M556-R559 PolarHBondContact O-N 3.15Å; M556-R559 PolarHBondContact SD-NH1 3.36Å; L557-R559 VanDerWaalsContact C-N 3.32Å; L557-R559 PolarHBondContact O-N 3.32Å; R559-L561 PolarHBondContact O-N 3.22Å; R559-A562 PolarHBondContact O-N 3.45Å; R559-L563 HydrophobicContact CG-CD1 4.26Å; R559-L563 WeakPolarHBondContact O-CG 3.15Å; R559-L563 PolarHBondContact O-N 2.65Å; R559-E596 WeakPolarHBondContact CD-OE2 3.46Å; R559-E596 IonicContact CZ-OE2 3.3Å; R559-E596 IonicContact NE-OE2 3.34Å; R559-E596 IonicContact NH1-OE1 2.99Å; R559-E596 PolarHBondContact NH1-OE1 3.28Å; R559-E596 IonicContact NH1-OE2 2.8Å; R559-E596 PolarHBondContact NH1-OE2 2.93Å; R559-V600 HydrophobicContact CB-CG2 3.65Å; R559-V600 HydrophobicContact CG-CG2 4.45Å; R559-L603 HydrophobicContact CG-CD2 4.24Å |
| 560 | D | 88.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.2 | -37.2 | -178.7 | -66.4 | -7.9 | 0 | 0 | 0 | 111 | S453 L456 R460 M556 L557 L563 A564 | S453-D560 WeakPolarHBondContact CB-OD2 3.39Å; S453-D560 PolarHBondContact OG-OD2 2.89Å; L456-D560 HydrophobicContact CB-CB 3.88Å; L456-D560 HydrophobicContact CD1-CB 4Å; R460-D560 IonicContact CZ-OD1 3.33Å; R460-D560 IonicContact NH2-OD1 3.46Å; R460-D560 PolarHBondContact NH2-OD1 3.3Å; M556-D560 WeakPolarHBondContact O-CB 3.42Å; M556-D560 PolarHBondContact O-N 2.99Å; L557-D560 PolarHBondContact O-N 3.49Å; D560-L563 PolarHBondContact O-N 3.12Å; D560-A564 VanDerWaalsContact O-CB 3.3Å; D560-A564 WeakPolarHBondContact O-CB 3.42Å; D560-A564 PolarHBondContact O-N 3.14Å |
| 561 | L | 90.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -68.8 | -42.3 | 174.8 | -171.8 | 64.3 | 0 | 0 | 0 | 112.3 | L456 L515 L519 L522 L557 N558 R559 L563 A564 L565 L569 | L456-L561 HydrophobicContact CD1-CB 4.46Å; L456-L561 HydrophobicContact CD2-CD1 3.93Å; L515-L561 HydrophobicContact CD1-CD1 3.98Å; L515-L561 HydrophobicContact CD2-CD1 4.18Å; L515-L561 HydrophobicContact CG-CD1 4.32Å; L519-L561 HydrophobicContact CD1-CD1 4Å; L519-L561 HydrophobicContact CD1-CD2 3.63Å; L519-L561 HydrophobicContact CD1-CG 4.09Å; L522-L561 HydrophobicContact CD2-CD1 3.77Å; L522-L561 HydrophobicContact CD2-CD2 4.27Å; L557-L561 WeakPolarHBondContact O-CB 3.4Å; L557-L561 PolarHBondContact O-N 2.85Å; N558-L561 PolarHBondContact O-N 3.34Å; R559-L561 PolarHBondContact O-N 3.22Å; L561-L563 VanDerWaalsContact C-N 3.28Å; L561-L563 PolarHBondContact O-N 3.07Å; L561-A564 PolarHBondContact O-N 2.89Å; L561-L565 HydrophobicContact CD1-CD1 4.44Å; L561-L565 PolarHBondContact O-N 3.5Å; L561-L569 HydrophobicContact CD2-CD1 4.46Å; L561-L569 HydrophobicContact CD2-CD2 3.68Å; L561-L569 HydrophobicContact CG-CD1 4.35Å; L561-L569 HydrophobicContact CG-CD2 3.93Å |
| 562 | A | 88.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.6 | -31.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N558 R559 L565 P566 L569 L603 L604 | N558-A562 VanDerWaalsContact O-CB 3.23Å; N558-A562 WeakPolarHBondContact O-CB 3.29Å; N558-A562 PolarHBondContact O-N 3.13Å; R559-A562 PolarHBondContact O-N 3.45Å; A562-L565 CarbonylContact O-C 3.6Å; A562-P566 WeakPolarHBondContact O-CA 3.38Å; A562-P566 VanDerWaalsContact O-N 3.12Å; A562-L569 HydrophobicContact CB-CD1 3.72Å; A562-L603 HydrophobicContact CB-CD2 3.48Å; A562-L603 VanDerWaalsContact CB-CD2 3.48Å; A562-L603 HydrophobicContact CB-CG 4.02Å; A562-L604 HydrophobicContact CB-CD2 4.31Å |
| 563 | L | 85.7 | Confident | 87.6 | Confident | 21 Ų | 21 | 18.5 Ų | 18.5 | 11% | 0.11 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -78.8 | -31 | 172.9 | -69.1 | 173.9 | 0 | 0 | 0 | 112.8 | R460 V493 R559 D560 L561 L603 | R460-L563 HydrophobicContact CG-CB 4.02Å; V493-L563 HydrophobicContact CG2-CD2 4.42Å; R559-L563 HydrophobicContact CG-CD1 4.26Å; R559-L563 WeakPolarHBondContact O-CG 3.15Å; R559-L563 PolarHBondContact O-N 2.65Å; D560-L563 PolarHBondContact O-N 3.12Å; L561-L563 VanDerWaalsContact C-N 3.28Å; L561-L563 PolarHBondContact O-N 3.07Å; L563-L603 HydrophobicContact CD2-CD1 3.83Å; L563-L603 HydrophobicContact CD2-CD2 3.72Å; L563-L603 HydrophobicContact CD2-CG 4.46Å; L563-L603 HydrophobicContact CG-CD2 3.69Å |
| 564 | A | 86.7 | Confident | 87.8 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -77.6 | -32.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T459 L515 D560 L561 | T459-A564 HydrophobicContact CG2-CB 4.32Å; L515-A564 HydrophobicContact CD2-CB 3.67Å; D560-A564 VanDerWaalsContact O-CB 3.3Å; D560-A564 WeakPolarHBondContact O-CB 3.42Å; D560-A564 PolarHBondContact O-N 3.14Å; L561-A564 PolarHBondContact O-N 2.89Å |
| 565 | L | 89.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -133.6 | 64.6 | 179.8 | -64 | 178.8 | 0 | 0 | 0 | 111.8 | L501 L505 Q512 L515 L516 L519 L561 A562 G567 Q568 | L501-L565 HydrophobicContact CD1-CD2 4.07Å; L505-L565 HydrophobicContact CD2-CD2 4.35Å; Q512-L565 HydrophobicContact CB-CD2 4.16Å; L515-L565 HydrophobicContact CB-CD1 4.48Å; L515-L565 HydrophobicContact CD2-CD1 3.93Å; L515-L565 HydrophobicContact CD2-CD2 4.37Å; L515-L565 HydrophobicContact CD2-CG 3.77Å; L515-L565 HydrophobicContact CG-CD1 3.74Å; L515-L565 HydrophobicContact CG-CG 4.14Å; L516-L565 HydrophobicContact CB-CD1 4.25Å; L516-L565 HydrophobicContact CB-CD2 4.48Å; L516-L565 HydrophobicContact CD1-CD1 4.14Å; L519-L565 HydrophobicContact CD2-CD1 4.37Å; L561-L565 HydrophobicContact CD1-CD1 4.44Å; L561-L565 PolarHBondContact O-N 3.5Å; A562-L565 CarbonylContact O-C 3.6Å; L565-G567 PolarHBondContact O-N 3.48Å; L565-Q568 HydrophobicContact CB-CB 3.96Å; L565-Q568 HydrophobicContact CB-CG 4.1Å; L565-Q568 PolarHBondContact O-N 2.85Å |
| 566 | P | 86.5 | Confident | 87.8 | Confident | 4 Ų | 4 | 23.5 Ų | 23.5 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 132.8 | 179.5 | 20.7 | -31.7 | 0 | 0 | 0 | 112.1 | V493 L501 A562 Q568 T607 | V493-P566 HydrophobicContact CB-CB 4.49Å; V493-P566 HydrophobicContact CG1-CB 3.73Å; V493-P566 HydrophobicContact CG1-CG 3.94Å; V493-P566 HydrophobicContact CG2-CB 4.15Å; L501-P566 HydrophobicContact CD2-CG 3.92Å; L501-P566 VanDerWaalsContact CD2-O 3.3Å; L501-P566 WeakPolarHBondContact CD2-O 3.29Å; A562-P566 WeakPolarHBondContact O-CA 3.38Å; A562-P566 VanDerWaalsContact O-N 3.12Å; P566-Q568 VanDerWaalsContact C-N 3.27Å; P566-Q568 PolarHBondContact O-N 2.97Å; P566-T607 HydrophobicContact CB-CG2 3.78Å |
| 567 | G | 85.2 | Confident | 87.9 | Confident | 25 Ų | 25 | 21.2 Ų | 21.2 | 26% | 0.258 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | -3.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L565 T607 H608 | L565-G567 PolarHBondContact O-N 3.48Å; G567-T607 WeakPolarHBondContact CA-O 3.25Å; G567-H608 VanDerWaalsContact C-NE2 3.27Å; G567-H608 WeakPolarHBondContact CA-NE2 3.5Å; G567-H608 PolarHBondContact O-NE2 3.3Å |
| 568 | Q | 88.7 | Confident | 87.7 | Confident | 72 Ų | 72 | 26 Ų | 26 | 34% | 0.336 | 15% | 0.149 | S | C | . | . | trans | -95.2 | -0.6 | -177 | -56 | -58.9 | -41.1 | 0 | 0 | 114.3 | L501 L516 L565 P566 | L501-Q568 HydrophobicContact CD2-CG 4.17Å; L516-Q568 HydrophobicContact CD1-CB 4.15Å; L516-Q568 HydrophobicContact CD1-CG 4.38Å; L565-Q568 HydrophobicContact CB-CB 3.96Å; L565-Q568 HydrophobicContact CB-CG 4.1Å; L565-Q568 PolarHBondContact O-N 2.85Å; P566-Q568 VanDerWaalsContact C-N 3.27Å; P566-Q568 PolarHBondContact O-N 2.97Å | ||
| 569 | L | 88.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -91.3 | 8.5 | -177.2 | -65.8 | -179.7 | 0 | 0 | 0 | 114.2 | L519 L561 A562 A571 Y572 L573 I576 L604 H608 | L519-L569 HydrophobicContact CD1-CD2 3.64Å; L519-L569 HydrophobicContact CD2-CD2 4.27Å; L561-L569 HydrophobicContact CD2-CD1 4.46Å; L561-L569 HydrophobicContact CD2-CD2 3.68Å; L561-L569 HydrophobicContact CG-CD1 4.35Å; L561-L569 HydrophobicContact CG-CD2 3.93Å; A562-L569 HydrophobicContact CB-CD1 3.72Å; L569-A571 VanDerWaalsContact C-N 3.3Å; L569-A571 PolarHBondContact O-N 3.11Å; L569-Y572 HydrophobicContact CD2-CD2 4.32Å; L569-Y572 PolarHBondContact O-N 3.33Å; L569-L573 PolarHBondContact O-N 3.03Å; L569-L573 VanDerWaalsContact O-N 3.14Å; L569-I576 HydrophobicContact CD1-CD1 4.44Å; L569-L604 HydrophobicContact CB-CD2 4.22Å; L569-L604 HydrophobicContact CD1-CD2 4.07Å; L569-H608 PolarHBondContact N-NE2 3.24Å | ||
| 570 | G | 85.3 | Confident | 87.4 | Confident | 14 Ų | 14 | 24.6 Ų | 24.6 | 14% | 0.144 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -55.1 | -38.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y572 L573 H608 | G570-Y572 PolarHBondContact O-N 3.25Å; G570-L573 PolarHBondContact O-N 3.3Å; G570-H608 PolarHBondContact N-NE2 3.06Å |
| 571 | A | 86.4 | Confident | 87.3 | Confident | 83 Ų | 83 | 29.2 Ų | 29.2 | 69% | 0.686 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -65.5 | -25.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L569 | L569-A571 VanDerWaalsContact C-N 3.3Å; L569-A571 PolarHBondContact O-N 3.11Å |
| 572 | Y | 89.1 | Confident | 87 | Confident | 45 Ų | 45 | 32.5 Ų | 32.5 | 18% | 0.176 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -105.3 | -5.5 | -173.7 | -53 | -68.1 | 0 | 0 | 0 | 113.1 | L519 P520 Y523 L569 G570 N574 N575 I576 | L519-Y572 HydrophobicContact CD1-CE2 4.28Å; L519-Y572 HydrophobicContact CD2-CD2 4.39Å; L519-Y572 HydrophobicContact CD2-CE2 3.75Å; L519-Y572 HydrophobicContact CG-CD2 4.35Å; L519-Y572 HydrophobicContact CG-CE2 3.64Å; P520-Y572 WeakPolarHBondContact CA-OH 3.2Å; P520-Y572 WeakPolarHBondContact CB-OH 3.43Å; P520-Y572 WeakPolarHBondContact CG-OH 3.46Å; Y523-Y572 AromaticContact CD1-CD1 3.14Å; Y523-Y572 HydrophobicContact CD1-CD1 3.14Å; Y523-Y572 AromaticContact CD1-CE1 3.93Å; Y523-Y572 HydrophobicContact CD1-CE1 3.93Å; Y523-Y572 AromaticContact CD1-CG 3.6Å; Y523-Y572 HydrophobicContact CD1-CG 3.6Å; Y523-Y572 HydrophobicContact CD2-CD1 4.25Å; Y523-Y572 HydrophobicContact CD2-CD2 4.44Å; Y523-Y572 AromaticContact CD2-CG 3.86Å; Y523-Y572 HydrophobicContact CD2-CG 3.86Å; Y523-Y572 AromaticContact CE1-CD1 3.78Å; Y523-Y572 HydrophobicContact CE1-CD1 3.78Å; Y523-Y572 HydrophobicContact CE1-CG 4.06Å; Y523-Y572 HydrophobicContact CE2-CG 4.29Å; Y523-Y572 AromaticContact CG-CD1 3.43Å; Y523-Y572 HydrophobicContact CG-CD1 3.43Å; Y523-Y572 VanDerWaalsContact CG-CD1 3.43Å; Y523-Y572 HydrophobicContact CG-CD2 4.2Å; Y523-Y572 HydrophobicContact CG-CE1 4.08Å; Y523-Y572 AromaticContact CG-CG 3.5Å; Y523-Y572 HydrophobicContact CG-CG 3.5Å; Y523-Y572 VanDerWaalsContact CG-CG 3.5Å; Y523-Y572 PolarHBondContact OH-O 3.22Å; L569-Y572 HydrophobicContact CD2-CD2 4.32Å; L569-Y572 PolarHBondContact O-N 3.33Å; G570-Y572 PolarHBondContact O-N 3.25Å; Y572-N574 VanDerWaalsContact C-N 3.3Å; Y572-N574 PolarHBondContact O-N 3.27Å; Y572-N575 WeakPolarHBondContact O-CB 3.47Å; Y572-N575 PolarHBondContact O-N 3.42Å; Y572-I576 PolarHBondContact O-N 3.41Å; Y572-I576 VanDerWaalsContact O-N 3.11Å |
| 573 | L | 87.3 | Confident | 86.7 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.8 | -39.6 | -172.1 | -176.7 | 66.5 | 0 | 0 | 0 | 113.2 | L569 G570 N575 I576 L577 L604 Y612 F613 | L569-L573 PolarHBondContact O-N 3.03Å; L569-L573 VanDerWaalsContact O-N 3.14Å; G570-L573 PolarHBondContact O-N 3.3Å; L573-N575 VanDerWaalsContact C-N 3.26Å; L573-N575 PolarHBondContact O-N 3.44Å; L573-I576 PolarHBondContact O-N 2.95Å; L573-L577 HydrophobicContact CD1-CD1 4.39Å; L573-L577 HydrophobicContact CD1-CG 4.36Å; L573-L577 HydrophobicContact CG-CD1 3.99Å; L573-L577 HydrophobicContact CG-CG 4.36Å; L573-L577 WeakPolarHBondContact O-CB 3.42Å; L573-L577 VanDerWaalsContact O-CG 3.25Å; L573-L577 WeakPolarHBondContact O-CG 3.49Å; L573-L577 PolarHBondContact O-N 3.35Å; L573-L604 HydrophobicContact CD1-CB 4.12Å; L573-L604 HydrophobicContact CD1-CD1 3.72Å; L573-L604 HydrophobicContact CD1-CD2 4.33Å; L573-L604 HydrophobicContact CD1-CG 4.28Å; L573-Y612 HydrophobicContact CD2-CD1 4.45Å; L573-Y612 HydrophobicContact CD2-CG 4.31Å; L573-F613 HydrophobicContact CD1-CE1 3.79Å; L573-F613 HydrophobicContact CD1-CZ 3.85Å; L573-F613 HydrophobicContact CD2-CD1 4.21Å; L573-F613 HydrophobicContact CD2-CD2 4.38Å; L573-F613 HydrophobicContact CD2-CE1 3.78Å; L573-F613 HydrophobicContact CD2-CE2 3.96Å; L573-F613 HydrophobicContact CD2-CZ 3.64Å; L573-F613 HydrophobicContact CG-CE1 4.19Å; L573-F613 HydrophobicContact CG-CZ 4.33Å |
| 574 | N | 87 | Confident | 86.7 | Confident | 78 Ų | 78 | 32.4 Ų | 32.4 | 42% | 0.417 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.9 | -37 | 178.3 | -81.7 | -37.8 | 0 | 0 | 0 | 112.5 | Y572 M578 | Y572-N574 VanDerWaalsContact C-N 3.3Å; Y572-N574 PolarHBondContact O-N 3.27Å; N574-M578 PolarHBondContact O-N 3.17Å |
| 575 | N | 86.8 | Confident | 86.5 | Confident | 54 Ų | 54 | 36.6 Ų | 36.6 | 29% | 0.289 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -74.9 | -40.5 | -178.3 | -58.6 | 19.6 | 0 | 0 | 0 | 109.2 | Y523 E527 Y572 L573 L577 M578 M579 | Y523-N575 HydrophobicContact CE1-CB 3.76Å; Y523-N575 VanDerWaalsContact OH-C 3.3Å; Y523-N575 WeakPolarHBondContact OH-CB 3.26Å; E527-N575 VanDerWaalsContact CD-ND2 3.31Å; E527-N575 PolarHBondContact OE1-ND2 3.29Å; E527-N575 PolarHBondContact OE2-ND2 3.2Å; Y572-N575 WeakPolarHBondContact O-CB 3.47Å; Y572-N575 PolarHBondContact O-N 3.42Å; L573-N575 VanDerWaalsContact C-N 3.26Å; L573-N575 PolarHBondContact O-N 3.44Å; N575-L577 PolarHBondContact O-N 3.3Å; N575-M578 WeakPolarHBondContact O-CB 3.08Å; N575-M578 PolarHBondContact O-N 3.4Å; N575-M579 PolarHBondContact O-N 3Å |
| 576 | I | 88.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 172.5 | -58.2 | 174.8 | 0 | 0 | 0 | 110.2 | Y523 L569 Y572 L573 M578 M579 I580 V600 L604 | Y523-I576 HydrophobicContact CE2-CD1 3.96Å; Y523-I576 HydrophobicContact CE2-CG1 3.56Å; Y523-I576 WeakPolarHBondContact OH-CG1 3.28Å; Y523-I576 PolarHBondContact OH-N 2.98Å; L569-I576 HydrophobicContact CD1-CD1 4.44Å; Y572-I576 PolarHBondContact O-N 3.41Å; Y572-I576 VanDerWaalsContact O-N 3.11Å; L573-I576 PolarHBondContact O-N 2.95Å; I576-M578 VanDerWaalsContact C-N 3.28Å; I576-M578 PolarHBondContact O-N 3.05Å; I576-M579 WeakPolarHBondContact O-CB 3.48Å; I576-M579 PolarHBondContact O-N 2.7Å; I576-M579 VanDerWaalsContact O-N 3.17Å; I576-I580 HydrophobicContact CG2-CD1 4Å; I576-I580 HydrophobicContact CG2-CG1 4.39Å; I576-I580 VanDerWaalsContact O-CG1 3.3Å; I576-I580 WeakPolarHBondContact O-CG1 3.45Å; I576-I580 PolarHBondContact O-N 3.27Å; I576-V600 HydrophobicContact CG2-CG1 4.12Å; I576-L604 HydrophobicContact CD1-CD1 4.11Å; I576-L604 HydrophobicContact CG2-CD1 3.93Å |
| 577 | L | 88 | Confident | 85.8 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.7 | -33.9 | 179.3 | -69.1 | 173.3 | 0 | 0 | 0 | 112.2 | L573 N575 I580 K581 L601 F613 K616 L619 L620 | L573-L577 HydrophobicContact CD1-CD1 4.39Å; L573-L577 HydrophobicContact CD1-CG 4.36Å; L573-L577 HydrophobicContact CG-CD1 3.99Å; L573-L577 HydrophobicContact CG-CG 4.36Å; L573-L577 WeakPolarHBondContact O-CB 3.42Å; L573-L577 VanDerWaalsContact O-CG 3.25Å; L573-L577 WeakPolarHBondContact O-CG 3.49Å; L573-L577 PolarHBondContact O-N 3.35Å; N575-L577 PolarHBondContact O-N 3.3Å; L577-I580 HydrophobicContact CD2-CD1 4.34Å; L577-K581 PolarHBondContact O-N 3.18Å; L577-L601 HydrophobicContact CD2-CD1 3.64Å; L577-F613 HydrophobicContact CD1-CD1 4.07Å; L577-F613 HydrophobicContact CD1-CE1 4.33Å; L577-F613 HydrophobicContact CD2-CE1 4.46Å; L577-K616 HydrophobicContact CD1-CB 3.9Å; L577-K616 HydrophobicContact CD1-CG 3.76Å; L577-L619 HydrophobicContact CB-CD2 4.35Å; L577-L619 WeakPolarHBondContact O-CD2 3.48Å; L577-L620 HydrophobicContact CD2-CD2 4.28Å |
| 578 | M | 85.9 | Confident | 85.4 | Confident | 104 Ų | 104 | 46.1 Ų | 46.1 | 51% | 0.512 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 173.5 | -168.3 | -178.9 | -62.4 | 0 | 0 | 111.6 | N574 N575 I576 I580 K581 I582 | N574-M578 PolarHBondContact O-N 3.17Å; N575-M578 WeakPolarHBondContact O-CB 3.08Å; N575-M578 PolarHBondContact O-N 3.4Å; I576-M578 VanDerWaalsContact C-N 3.28Å; I576-M578 PolarHBondContact O-N 3.05Å; M578-I580 VanDerWaalsContact C-N 3.35Å; M578-I580 PolarHBondContact O-N 3.1Å; M578-K581 WeakPolarHBondContact O-CB 3.15Å; M578-K581 PolarHBondContact O-N 3.32Å; M578-I582 HydrophobicContact CG-CD1 4.27Å; M578-I582 WeakPolarHBondContact O-CG1 3.25Å; M578-I582 PolarHBondContact O-N 3.32Å |
| 579 | M | 85.5 | Confident | 85.2 | Confident | 11 Ų | 11 | 43 Ų | 43 | 5% | 0.054 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.9 | -43.2 | 175 | -178.6 | -158.5 | 166.9 | 0 | 0 | 112 | T530 R551 A554 F555 N575 I576 K581 I582 S583 | T530-M579 HydrophobicContact CG2-CE 3.56Å; T530-M579 HydrophobicContact CG2-CG 3.95Å; T530-M579 HydrophobicContact CG2-SD 3.69Å; R551-M579 HydrophobicContact CB-CE 4.23Å; R551-M579 HydrophobicContact CG-CE 4.49Å; R551-M579 VanDerWaalsContact O-CE 3.26Å; R551-M579 WeakPolarHBondContact O-CE 3.46Å; A554-M579 HydrophobicContact CB-CE 3.39Å; A554-M579 HydrophobicContact CB-SD 4.19Å; F555-M579 HydrophobicContact CD1-CE 3.65Å; F555-M579 HydrophobicContact CD1-SD 4.05Å; F555-M579 HydrophobicContact CD2-CE 4.11Å; F555-M579 HydrophobicContact CE1-CE 3.45Å; F555-M579 VanDerWaalsContact CE1-CE 3.45Å; F555-M579 HydrophobicContact CE1-CG 4.09Å; F555-M579 HydrophobicContact CE1-SD 3.68Å; F555-M579 HydrophobicContact CE2-CE 3.94Å; F555-M579 HydrophobicContact CG-CE 3.96Å; F555-M579 HydrophobicContact CZ-CE 3.61Å; F555-M579 HydrophobicContact CZ-CG 4.27Å; F555-M579 HydrophobicContact CZ-SD 4.27Å; N575-M579 PolarHBondContact O-N 3Å; I576-M579 WeakPolarHBondContact O-CB 3.48Å; I576-M579 PolarHBondContact O-N 2.7Å; I576-M579 VanDerWaalsContact O-N 3.17Å; M579-K581 VanDerWaalsContact C-N 3.34Å; M579-K581 PolarHBondContact O-N 2.72Å; M579-I582 PolarHBondContact O-N 3.11Å; M579-S583 WeakPolarHBondContact O-CB 3.45Å; M579-S583 PolarHBondContact O-N 3.29Å; M579-S583 PolarHBondContact O-OG 3.32Å |
| 580 | I | 88.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.9 | -47.2 | 174.1 | -71.2 | 176.7 | 0 | 0 | 0 | 110.1 | F555 I576 L577 M578 S583 S584 M597 L601 L623 | F555-I580 HydrophobicContact CE1-CG1 3.69Å; F555-I580 HydrophobicContact CZ-CG1 4.38Å; I576-I580 HydrophobicContact CG2-CD1 4Å; I576-I580 HydrophobicContact CG2-CG1 4.39Å; I576-I580 VanDerWaalsContact O-CG1 3.3Å; I576-I580 WeakPolarHBondContact O-CG1 3.45Å; I576-I580 PolarHBondContact O-N 3.27Å; L577-I580 HydrophobicContact CD2-CD1 4.34Å; M578-I580 VanDerWaalsContact C-N 3.35Å; M578-I580 PolarHBondContact O-N 3.1Å; I580-S583 PolarHBondContact O-N 2.93Å; I580-S584 WeakPolarHBondContact O-CB 3.43Å; I580-S584 PolarHBondContact O-N 3.16Å; I580-M597 HydrophobicContact CB-CG 4.06Å; I580-M597 HydrophobicContact CB-SD 4.38Å; I580-M597 HydrophobicContact CD1-CG 4.49Å; I580-M597 HydrophobicContact CG1-CG 3.81Å; I580-M597 HydrophobicContact CG2-CG 3.64Å; I580-M597 HydrophobicContact CG2-SD 3.78Å; I580-L601 HydrophobicContact CD1-CB 4.32Å; I580-L623 HydrophobicContact CG2-CD1 3.35Å; I580-L623 HydrophobicContact CG2-CD2 4.2Å; I580-L623 HydrophobicContact CG2-CG 4.43Å |
| 581 | K | 85.4 | Confident | 85 | Confident | 97 Ų | 97 | 50.7 Ų | 50.7 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.7 | -52.9 | 178.3 | -176 | 173.2 | -177.9 | 179.3 | 0 | 112.1 | L577 M578 M579 S583 S584 D585 L619 | L577-K581 PolarHBondContact O-N 3.18Å; M578-K581 WeakPolarHBondContact O-CB 3.15Å; M578-K581 PolarHBondContact O-N 3.32Å; M579-K581 VanDerWaalsContact C-N 3.34Å; M579-K581 PolarHBondContact O-N 2.72Å; K581-S583 VanDerWaalsContact C-N 3.26Å; K581-S583 PolarHBondContact O-N 3.13Å; K581-S584 PolarHBondContact O-N 3.41Å; K581-D585 PolarHBondContact O-N 3.4Å; K581-L619 HydrophobicContact CB-CD1 3.67Å; K581-L619 HydrophobicContact CB-CD2 3.84Å; K581-L619 HydrophobicContact CB-CG 4.41Å; K581-L619 HydrophobicContact CD-CD1 3.99Å; K581-L619 HydrophobicContact CD-CD2 4.5Å; K581-L619 HydrophobicContact CG-CD1 3.64Å; K581-L619 HydrophobicContact CG-CD2 4.49Å |
| 582 | I | 83.8 | Confident | 84.9 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 35% | 0.354 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.8 | -42.3 | -179.6 | -66.6 | 165.9 | 0 | 0 | 0 | 110.9 | M578 M579 D586 | M578-I582 HydrophobicContact CG-CD1 4.27Å; M578-I582 WeakPolarHBondContact O-CG1 3.25Å; M578-I582 PolarHBondContact O-N 3.32Å; M579-I582 PolarHBondContact O-N 3.11Å; I582-D586 PolarHBondContact O-N 3.1Å |
| 583 | S | 83.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.4 | -29.9 | -178.4 | -53.9 | 0 | 0 | 0 | 0 | 112.8 | R551 F555 M579 I580 K581 T589 | R551-S583 WeakPolarHBondContact CD-OG 3.49Å; F555-S583 WeakPolarHBondContact CZ-OG 3.26Å; M579-S583 WeakPolarHBondContact O-CB 3.45Å; M579-S583 PolarHBondContact O-N 3.29Å; M579-S583 PolarHBondContact O-OG 3.32Å; I580-S583 PolarHBondContact O-N 2.93Å; K581-S583 VanDerWaalsContact C-N 3.26Å; K581-S583 PolarHBondContact O-N 3.13Å; S583-T589 WeakPolarHBondContact O-CB 3.5Å; S583-T589 PolarHBondContact O-OG1 3.16Å |
| 584 | S | 84.8 | Confident | 84.8 | Confident | 20 Ų | 20 | 50 Ų | 50 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -75.3 | -35 | 176.9 | -163.1 | 0 | 0 | 0 | 0 | 112.8 | I580 K581 D586 L623 Q626 | I580-S584 WeakPolarHBondContact O-CB 3.43Å; I580-S584 PolarHBondContact O-N 3.16Å; K581-S584 PolarHBondContact O-N 3.41Å; S584-D586 PolarHBondContact O-N 3.46Å; S584-L623 WeakPolarHBondContact OG-CD2 3.37Å; S584-Q626 PolarHBondContact OG-OE1 3.06Å |
| 585 | D | 82.5 | Confident | 84.8 | Confident | 87 Ų | 87 | 47.7 Ų | 47.7 | 47% | 0.465 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -73.1 | -15.9 | 177.5 | -67.9 | -25.5 | 0 | 0 | 0 | 112 | K581 P587 | K581-D585 PolarHBondContact O-N 3.4Å; D585-P587 WeakPolarHBondContact O-CD 3.48Å |
| 586 | D | 81.5 | Confident | 84.8 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | trans | -81.6 | 115 | 176 | -173.1 | -11.7 | 0 | 0 | 0 | 111.9 | R551 I582 S584 N588 T589 | R551-D586 IonicContact CZ-OD2 3.96Å; R551-D586 IonicContact NH1-OD2 3.47Å; R551-D586 PolarHBondContact NH1-OD2 3.08Å; I582-D586 PolarHBondContact O-N 3.1Å; S584-D586 PolarHBondContact O-N 3.46Å; D586-N588 PolarHBondContact O-N 3.41Å; D586-N588 WeakPolarHBondContact OD1-CB 3.48Å; D586-N588 PolarHBondContact OD1-N 3.02Å; D586-T589 PolarHBondContact O-N 2.68Å; D586-T589 PolarHBondContact O-OG1 3.34Å | ||
| 587 | P | 78.5 | Confident | 84.8 | Confident | 109 Ų | 109 | 46.9 Ų | 46.9 | 71% | 0.708 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.7 | -179.7 | 27.6 | -35.1 | 0 | 0 | 0 | 113.2 | D585 T589 | D585-P587 WeakPolarHBondContact O-CD 3.48Å; P587-T589 VanDerWaalsContact C-N 3.27Å; P587-T589 PolarHBondContact O-N 3.04Å |
| 588 | N | 78.4 | Confident | 84.8 | Confident | 94 Ų | 94 | 47 Ų | 47 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -2.7 | -178.2 | -60.6 | -48.3 | 0 | 0 | 0 | 113.2 | D586 N590 | D586-N588 PolarHBondContact O-N 3.41Å; D586-N588 WeakPolarHBondContact OD1-CB 3.48Å; D586-N588 PolarHBondContact OD1-N 3.02Å; N588-N590 PolarHBondContact O-N 3.42Å; N588-N590 VanDerWaalsContact O-N 3.16Å |
| 589 | T | 82.8 | Confident | 84.9 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | trans | -64.6 | 117.7 | 179.1 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | S583 D586 P587 A593 K594 | S583-T589 WeakPolarHBondContact O-CB 3.5Å; S583-T589 PolarHBondContact O-OG1 3.16Å; D586-T589 PolarHBondContact O-N 2.68Å; D586-T589 PolarHBondContact O-OG1 3.34Å; P587-T589 VanDerWaalsContact C-N 3.27Å; P587-T589 PolarHBondContact O-N 3.04Å; T589-A593 HydrophobicContact CG2-CB 3.74Å; T589-K594 HydrophobicContact CG2-CG 3.89Å; T589-K594 WeakPolarHBondContact O-CE 3.22Å; T589-K594 PolarHBondContact O-NZ 3.46Å; T589-K594 VanDerWaalsContact O-NZ 3.11Å | ||
| 590 | N | 83.9 | Confident | 85.1 | Confident | 92 Ų | 92 | 42.3 Ų | 42.3 | 49% | 0.492 | 23% | 0.225 | S | C | . | . | trans | -56.7 | 151 | 179.5 | -71 | -18.4 | 0 | 0 | 0 | 112.7 | N588 T592 A593 K594 | N588-N590 PolarHBondContact O-N 3.42Å; N588-N590 VanDerWaalsContact O-N 3.16Å; N590-T592 VanDerWaalsContact C-N 3.28Å; N590-T592 PolarHBondContact O-N 3.27Å; N590-A593 PolarHBondContact O-N 3.36Å; N590-A593 VanDerWaalsContact O-N 3.11Å; N590-K594 PolarHBondContact O-N 3.14Å | ||
| 591 | H | 86 | Confident | 85.1 | Confident | 83 Ų | 83 | 42.3 Ų | 42.3 | 38% | 0.384 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.5 | -36.8 | -179.9 | -65 | -67.9 | 0 | 0 | 0 | 113.3 | K594 M595 F632 V635 | H591-K594 PolarHBondContact O-N 3.39Å; H591-M595 WeakPolarHBondContact O-CG 3.39Å; H591-M595 PolarHBondContact O-N 3.06Å; H591-F632 HydrophobicContact CB-CD1 4.09Å; H591-V635 HydrophobicContact CB-CG2 4.35Å |
| 592 | T | 84.9 | Confident | 85.2 | Confident | 78 Ų | 78 | 38.3 Ų | 38.3 | 48% | 0.479 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 176.3 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | N590 M595 E596 | N590-T592 VanDerWaalsContact C-N 3.28Å; N590-T592 PolarHBondContact O-N 3.27Å; T592-M595 PolarHBondContact O-N 3.35Å; T592-E596 WeakPolarHBondContact O-CG 3.35Å; T592-E596 PolarHBondContact O-N 3.23Å |
| 593 | A | 85.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.9 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | H552 T589 N590 M595 E596 M597 | H552-A593 HydrophobicContact CB-CB 4.04Å; T589-A593 HydrophobicContact CG2-CB 3.74Å; N590-A593 PolarHBondContact O-N 3.36Å; N590-A593 VanDerWaalsContact O-N 3.11Å; A593-M595 VanDerWaalsContact C-N 3.33Å; A593-M595 PolarHBondContact O-N 3.49Å; A593-E596 PolarHBondContact O-N 3.41Å; A593-M597 WeakPolarHBondContact O-CB 3.43Å; A593-M597 PolarHBondContact O-N 3.44Å |
| 594 | K | 88.1 | Confident | 85.5 | Confident | 39 Ų | 39 | 35 Ų | 35 | 17% | 0.17 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -39.4 | 174.8 | -70.9 | 176.1 | 175.7 | 159 | 0 | 112.3 | T589 N590 H591 I598 V635 | T589-K594 HydrophobicContact CG2-CG 3.89Å; T589-K594 WeakPolarHBondContact O-CE 3.22Å; T589-K594 PolarHBondContact O-NZ 3.46Å; T589-K594 VanDerWaalsContact O-NZ 3.11Å; N590-K594 PolarHBondContact O-N 3.14Å; H591-K594 PolarHBondContact O-N 3.39Å; K594-I598 WeakPolarHBondContact O-CD1 3.18Å; K594-I598 VanDerWaalsContact O-CG1 3.27Å; K594-I598 WeakPolarHBondContact O-CG1 3.11Å; K594-I598 PolarHBondContact O-N 2.88Å; K594-V635 HydrophobicContact CB-CG1 4.4Å; K594-V635 HydrophobicContact CB-CG2 4.29Å |
| 595 | M | 87.4 | Confident | 85.5 | Confident | 29 Ų | 29 | 34.6 Ų | 34.6 | 14% | 0.143 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.7 | -52.4 | 174.5 | -69.1 | 168.5 | 151.4 | 0 | 0 | 111.7 | H591 T592 A593 M597 I598 N599 F632 R634 V635 E638 | H591-M595 WeakPolarHBondContact O-CG 3.39Å; H591-M595 PolarHBondContact O-N 3.06Å; T592-M595 PolarHBondContact O-N 3.35Å; A593-M595 VanDerWaalsContact C-N 3.33Å; A593-M595 PolarHBondContact O-N 3.49Å; M595-M597 PolarHBondContact O-N 2.77Å; M595-I598 PolarHBondContact O-N 2.85Å; M595-N599 WeakPolarHBondContact O-CB 3.48Å; M595-N599 PolarHBondContact O-N 3.22Å; M595-N599 PolarHBondContact O-OD1 3.26Å; M595-F632 HydrophobicContact CE-CD1 4.1Å; M595-F632 HydrophobicContact CE-CE1 3.69Å; M595-R634 VanDerWaalsContact CE-C 3.44Å; M595-R634 HydrophobicContact CE-CB 2.99Å; M595-R634 HydrophobicContact CE-CG 4.12Å; M595-V635 HydrophobicContact CE-CG2 4.2Å; M595-V635 HydrophobicContact CG-CG2 3.84Å; M595-E638 HydrophobicContact CG-CG 4.38Å |
| 596 | E | 86.8 | Confident | 85.5 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 13% | 0.131 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.4 | -37.1 | -179.8 | -68.6 | -57.8 | 157.1 | 0 | 0 | 112.1 | F555 M556 R559 T592 A593 I598 N599 V600 | F555-E596 HydrophobicContact CB-CB 3.98Å; M556-E596 HydrophobicContact CG-CG 4.35Å; M556-E596 HydrophobicContact SD-CG 3.65Å; R559-E596 WeakPolarHBondContact CD-OE2 3.46Å; R559-E596 IonicContact CZ-OE2 3.3Å; R559-E596 IonicContact NE-OE2 3.34Å; R559-E596 IonicContact NH1-OE1 2.99Å; R559-E596 PolarHBondContact NH1-OE1 3.28Å; R559-E596 IonicContact NH1-OE2 2.8Å; R559-E596 PolarHBondContact NH1-OE2 2.93Å; T592-E596 WeakPolarHBondContact O-CG 3.35Å; T592-E596 PolarHBondContact O-N 3.23Å; A593-E596 PolarHBondContact O-N 3.41Å; E596-I598 PolarHBondContact O-N 2.63Å; E596-N599 PolarHBondContact O-N 3.05Å; E596-V600 WeakPolarHBondContact O-CB 3.34Å; E596-V600 VanDerWaalsContact O-CG2 3.23Å; E596-V600 WeakPolarHBondContact O-CG2 3.44Å; E596-V600 PolarHBondContact O-N 3.25Å |
| 597 | M | 88.9 | Confident | 85.5 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 173.1 | -176.6 | -174.3 | 72.4 | 0 | 0 | 112.2 | F555 I580 A593 M595 L601 L623 | F555-M597 HydrophobicContact CD1-CB 4.47Å; F555-M597 HydrophobicContact CD2-CB 4.22Å; F555-M597 HydrophobicContact CE1-CB 4.29Å; F555-M597 HydrophobicContact CE1-CG 4.06Å; F555-M597 HydrophobicContact CE2-CB 4.02Å; F555-M597 HydrophobicContact CE2-CG 4.27Å; F555-M597 HydrophobicContact CG-CB 4.45Å; F555-M597 HydrophobicContact CZ-CB 4.05Å; F555-M597 HydrophobicContact CZ-CG 3.84Å; F555-M597 HydrophobicContact CZ-SD 4.29Å; I580-M597 HydrophobicContact CB-CG 4.06Å; I580-M597 HydrophobicContact CB-SD 4.38Å; I580-M597 HydrophobicContact CD1-CG 4.49Å; I580-M597 HydrophobicContact CG1-CG 3.81Å; I580-M597 HydrophobicContact CG2-CG 3.64Å; I580-M597 HydrophobicContact CG2-SD 3.78Å; A593-M597 WeakPolarHBondContact O-CB 3.43Å; A593-M597 PolarHBondContact O-N 3.44Å; M595-M597 PolarHBondContact O-N 2.77Å; M597-L601 PolarHBondContact O-N 3.03Å; M597-L623 HydrophobicContact CE-CD2 4.15Å |
| 598 | I | 89.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 27.9 Ų | 27.9 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.7 | -39.3 | 177.5 | -61.6 | 161.3 | 0 | 0 | 0 | 110.7 | K594 M595 E596 V600 L601 V602 S627 V635 E638 L642 | K594-I598 WeakPolarHBondContact O-CD1 3.18Å; K594-I598 VanDerWaalsContact O-CG1 3.27Å; K594-I598 WeakPolarHBondContact O-CG1 3.11Å; K594-I598 PolarHBondContact O-N 2.88Å; M595-I598 PolarHBondContact O-N 2.85Å; E596-I598 PolarHBondContact O-N 2.63Å; I598-V600 PolarHBondContact O-N 3.01Å; I598-L601 CarbonylContact O-C 3.36Å; I598-L601 WeakPolarHBondContact O-CA 3.21Å; I598-L601 WeakPolarHBondContact O-CB 3.35Å; I598-L601 PolarHBondContact O-N 3.33Å; I598-V602 HydrophobicContact CG2-CG2 4.08Å; I598-V602 WeakPolarHBondContact O-CB 3.33Å; I598-V602 WeakPolarHBondContact O-CG2 3.32Å; I598-V602 PolarHBondContact O-N 3.04Å; I598-S627 VanDerWaalsContact CD1-CB 3.45Å; I598-V635 HydrophobicContact CD1-CG1 4.07Å; I598-E638 HydrophobicContact CB-CB 4.02Å; I598-E638 HydrophobicContact CD1-CB 3.99Å; I598-E638 HydrophobicContact CG2-CB 3.69Å; I598-E638 WeakPolarHBondContact CG2-O 3.35Å; I598-L642 HydrophobicContact CG2-CB 4.01Å; I598-L642 HydrophobicContact CG2-CD2 4.35Å |
| 599 | N | 86.7 | Confident | 86 | Confident | 16 Ų | 16 | 27.1 Ų | 27.1 | 9% | 0.086 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 179.1 | -71.5 | -9.9 | 0 | 0 | 0 | 112.1 | L491 M595 E596 L601 V602 L603 E638 | L491-N599 HydrophobicContact CD1-CB 3.6Å; L491-N599 HydrophobicContact CD2-CB 4.17Å; M595-N599 WeakPolarHBondContact O-CB 3.48Å; M595-N599 PolarHBondContact O-N 3.22Å; M595-N599 PolarHBondContact O-OD1 3.26Å; E596-N599 PolarHBondContact O-N 3.05Å; N599-L601 VanDerWaalsContact C-N 3.27Å; N599-L601 PolarHBondContact O-N 2.9Å; N599-V602 PolarHBondContact O-N 3.34Å; N599-L603 VanDerWaalsContact O-CB 3.22Å; N599-L603 WeakPolarHBondContact O-CB 3.4Å; N599-L603 PolarHBondContact O-N 2.93Å; N599-E638 PolarHBondContact OD1-OE2 2.95Å |
| 600 | V | 89.4 | Confident | 85.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.1 | -44.1 | 171.5 | 170.4 | 0 | 0 | 0 | 0 | 109.9 | F555 N558 R559 I576 E596 I598 L603 L604 | F555-V600 HydrophobicContact CB-CG2 4.45Å; F555-V600 VanDerWaalsContact O-CG2 3.28Å; F555-V600 WeakPolarHBondContact O-CG2 3.4Å; N558-V600 HydrophobicContact CB-CG1 4.27Å; N558-V600 HydrophobicContact CB-CG2 4.41Å; R559-V600 HydrophobicContact CB-CG2 3.65Å; R559-V600 HydrophobicContact CG-CG2 4.45Å; I576-V600 HydrophobicContact CG2-CG1 4.12Å; E596-V600 WeakPolarHBondContact O-CB 3.34Å; E596-V600 VanDerWaalsContact O-CG2 3.23Å; E596-V600 WeakPolarHBondContact O-CG2 3.44Å; E596-V600 PolarHBondContact O-N 3.25Å; I598-V600 PolarHBondContact O-N 3.01Å; V600-L603 PolarHBondContact O-N 3.03Å; V600-L604 HydrophobicContact CG1-CD1 3.59Å; V600-L604 HydrophobicContact CG1-CG 4.22Å; V600-L604 WeakPolarHBondContact O-CB 3.47Å; V600-L604 WeakPolarHBondContact O-CG 3.46Å; V600-L604 PolarHBondContact O-N 2.99Å |
| 601 | L | 89.7 | Confident | 85.9 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.5 | -45.6 | -178.6 | -176.9 | 59.2 | 0 | 0 | 0 | 113 | L577 I580 M597 I598 N599 L603 L604 L605 F613 L620 L623 L642 | L577-L601 HydrophobicContact CD2-CD1 3.64Å; I580-L601 HydrophobicContact CD1-CB 4.32Å; M597-L601 PolarHBondContact O-N 3.03Å; I598-L601 CarbonylContact O-C 3.36Å; I598-L601 WeakPolarHBondContact O-CA 3.21Å; I598-L601 WeakPolarHBondContact O-CB 3.35Å; I598-L601 PolarHBondContact O-N 3.33Å; N599-L601 VanDerWaalsContact C-N 3.27Å; N599-L601 PolarHBondContact O-N 2.9Å; L601-L603 VanDerWaalsContact C-N 3.31Å; L601-L603 PolarHBondContact O-N 3.39Å; L601-L604 PolarHBondContact O-N 3.07Å; L601-L605 HydrophobicContact CD1-CD1 4.39Å; L601-L605 HydrophobicContact CG-CD1 4.21Å; L601-L605 WeakPolarHBondContact O-CB 3.49Å; L601-L605 WeakPolarHBondContact O-CG 3.29Å; L601-L605 PolarHBondContact O-N 3.11Å; L601-F613 HydrophobicContact CD1-CE1 4.29Å; L601-L620 HydrophobicContact CD1-CD2 3.56Å; L601-L620 HydrophobicContact CD2-CD2 3.72Å; L601-L620 HydrophobicContact CG-CD2 4.12Å; L601-L623 HydrophobicContact CD2-CD1 4.05Å; L601-L642 HydrophobicContact CD2-CD1 3.67Å; L601-L642 HydrophobicContact CD2-CD2 3.66Å; L601-L642 HydrophobicContact CD2-CG 4.33Å; L601-L642 HydrophobicContact CG-CD1 3.79Å |
| 602 | V | 87 | Confident | 85.7 | Confident | 12 Ų | 12 | 29 Ų | 29 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.3 | -46.9 | 174 | 161 | 0 | 0 | 0 | 0 | 110.2 | L491 I598 N599 L605 S606 L642 I645 | L491-V602 HydrophobicContact CD1-CG1 4.34Å; I598-V602 HydrophobicContact CG2-CG2 4.08Å; I598-V602 WeakPolarHBondContact O-CB 3.33Å; I598-V602 WeakPolarHBondContact O-CG2 3.32Å; I598-V602 PolarHBondContact O-N 3.04Å; N599-V602 PolarHBondContact O-N 3.34Å; V602-L605 PolarHBondContact O-N 3.4Å; V602-S606 PolarHBondContact O-N 3.19Å; V602-S606 PolarHBondContact O-OG 3.4Å; V602-L642 HydrophobicContact CG2-CB 4.05Å; V602-L642 HydrophobicContact CG2-CD1 4.26Å; V602-I645 HydrophobicContact CB-CD1 4.37Å; V602-I645 HydrophobicContact CG1-CD1 3.67Å |
| 603 | L | 85 | Confident | 85.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.8 | -39.5 | 178.1 | 179.2 | 61.8 | 0 | 0 | 0 | 112.6 | L491 V493 R559 A562 L563 N599 V600 L601 S606 T607 | L491-L603 HydrophobicContact CD2-CB 4.32Å; L491-L603 HydrophobicContact CD2-CD2 4.38Å; L491-L603 WeakPolarHBondContact O-CD1 3.06Å; V493-L603 HydrophobicContact CG2-CD1 3.81Å; R559-L603 HydrophobicContact CG-CD2 4.24Å; A562-L603 HydrophobicContact CB-CD2 3.48Å; A562-L603 VanDerWaalsContact CB-CD2 3.48Å; A562-L603 HydrophobicContact CB-CG 4.02Å; L563-L603 HydrophobicContact CD2-CD1 3.83Å; L563-L603 HydrophobicContact CD2-CD2 3.72Å; L563-L603 HydrophobicContact CD2-CG 4.46Å; L563-L603 HydrophobicContact CG-CD2 3.69Å; N599-L603 VanDerWaalsContact O-CB 3.22Å; N599-L603 WeakPolarHBondContact O-CB 3.4Å; N599-L603 PolarHBondContact O-N 2.93Å; V600-L603 PolarHBondContact O-N 3.03Å; L601-L603 VanDerWaalsContact C-N 3.31Å; L601-L603 PolarHBondContact O-N 3.39Å; L603-S606 WeakPolarHBondContact CA-OG 3.35Å; L603-S606 PolarHBondContact O-N 3.42Å; L603-S606 PolarHBondContact O-OG 3.46Å; L603-T607 HydrophobicContact CD1-CG2 3.94Å; L603-T607 WeakPolarHBondContact O-CB 3.44Å; L603-T607 VanDerWaalsContact O-CG2 3.26Å; L603-T607 WeakPolarHBondContact O-CG2 3.49Å; L603-T607 PolarHBondContact O-N 2.91Å; L603-T607 VanDerWaalsContact O-N 3.1Å; L603-T607 PolarHBondContact O-OG1 3.33Å |
| 604 | L | 88.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.3 | -40.2 | 178.2 | -70.8 | 169.9 | 0 | 0 | 0 | 111.5 | A562 L569 L573 I576 V600 L601 S606 T607 H608 F613 | A562-L604 HydrophobicContact CB-CD2 4.31Å; L569-L604 HydrophobicContact CB-CD2 4.22Å; L569-L604 HydrophobicContact CD1-CD2 4.07Å; L573-L604 HydrophobicContact CD1-CB 4.12Å; L573-L604 HydrophobicContact CD1-CD1 3.72Å; L573-L604 HydrophobicContact CD1-CD2 4.33Å; L573-L604 HydrophobicContact CD1-CG 4.28Å; I576-L604 HydrophobicContact CD1-CD1 4.11Å; I576-L604 HydrophobicContact CG2-CD1 3.93Å; V600-L604 HydrophobicContact CG1-CD1 3.59Å; V600-L604 HydrophobicContact CG1-CG 4.22Å; V600-L604 WeakPolarHBondContact O-CB 3.47Å; V600-L604 WeakPolarHBondContact O-CG 3.46Å; V600-L604 PolarHBondContact O-N 2.99Å; L601-L604 PolarHBondContact O-N 3.07Å; L604-S606 VanDerWaalsContact C-N 3.31Å; L604-S606 PolarHBondContact O-N 2.81Å; L604-T607 PolarHBondContact O-N 3.46Å; L604-T607 PolarHBondContact O-OG1 3.01Å; L604-H608 WeakPolarHBondContact O-CB 3.37Å; L604-H608 PolarHBondContact O-N 3.07Å; L604-H608 PolarHBondContact O-ND1 3.48Å; L604-F613 HydrophobicContact CB-CE1 4.49Å; L604-F613 HydrophobicContact CB-CZ 4.02Å |
| 605 | L | 85.8 | Confident | 85.8 | Confident | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65 | -32.9 | 175 | -78.2 | 166.8 | 0 | 0 | 0 | 112.6 | L601 V602 F613 L620 L642 I645 | L601-L605 HydrophobicContact CD1-CD1 4.39Å; L601-L605 HydrophobicContact CG-CD1 4.21Å; L601-L605 WeakPolarHBondContact O-CB 3.49Å; L601-L605 WeakPolarHBondContact O-CG 3.29Å; L601-L605 PolarHBondContact O-N 3.11Å; V602-L605 PolarHBondContact O-N 3.4Å; L605-F613 HydrophobicContact CD2-CB 4.29Å; L605-F613 HydrophobicContact CD2-CD1 3.75Å; L605-F613 HydrophobicContact CD2-CD2 3.64Å; L605-F613 HydrophobicContact CD2-CE1 3.87Å; L605-F613 HydrophobicContact CD2-CE2 3.77Å; L605-F613 HydrophobicContact CD2-CG 3.62Å; L605-F613 HydrophobicContact CD2-CZ 3.88Å; L605-F613 HydrophobicContact CG-CD1 4.36Å; L605-F613 HydrophobicContact CG-CE1 4.06Å; L605-F613 HydrophobicContact CG-CE2 4.37Å; L605-F613 HydrophobicContact CG-CZ 4.07Å; L605-L620 HydrophobicContact CD2-CD1 4.34Å; L605-L642 HydrophobicContact CD1-CD1 3.55Å; L605-I645 HydrophobicContact CB-CG2 3.87Å; L605-I645 HydrophobicContact CD1-CG2 4.38Å |
| 606 | S | 80.7 | Confident | 85.8 | Confident | 51 Ų | 51 | 35.9 Ų | 35.9 | 36% | 0.357 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -79.9 | -23.7 | 177.9 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | V602 L603 L604 | V602-S606 PolarHBondContact O-N 3.19Å; V602-S606 PolarHBondContact O-OG 3.4Å; L603-S606 WeakPolarHBondContact CA-OG 3.35Å; L603-S606 PolarHBondContact O-N 3.42Å; L603-S606 PolarHBondContact O-OG 3.46Å; L604-S606 VanDerWaalsContact C-N 3.31Å; L604-S606 PolarHBondContact O-N 2.81Å |
| 607 | T | 81.4 | Confident | 85.8 | Confident | 20 Ų | 20 | 35 Ų | 35 | 12% | 0.123 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -102.1 | -17.4 | -175.1 | 53.8 | 0 | 0 | 0 | 0 | 114.6 | V493 P566 G567 L603 L604 | V493-T607 HydrophobicContact CB-CG2 3.98Å; V493-T607 HydrophobicContact CG1-CG2 4.37Å; V493-T607 HydrophobicContact CG2-CG2 3.78Å; P566-T607 HydrophobicContact CB-CG2 3.78Å; G567-T607 WeakPolarHBondContact CA-O 3.25Å; L603-T607 HydrophobicContact CD1-CG2 3.94Å; L603-T607 WeakPolarHBondContact O-CB 3.44Å; L603-T607 VanDerWaalsContact O-CG2 3.26Å; L603-T607 WeakPolarHBondContact O-CG2 3.49Å; L603-T607 PolarHBondContact O-N 2.91Å; L603-T607 VanDerWaalsContact O-N 3.1Å; L603-T607 PolarHBondContact O-OG1 3.33Å; L604-T607 PolarHBondContact O-N 3.46Å; L604-T607 PolarHBondContact O-OG1 3.01Å |
| 608 | H | 85.6 | Confident | 85.9 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -118.9 | 151.7 | -177.3 | -62.2 | 73.7 | 0 | 0 | 0 | 111.9 | G567 L569 G570 L604 F613 | G567-H608 VanDerWaalsContact C-NE2 3.27Å; G567-H608 WeakPolarHBondContact CA-NE2 3.5Å; G567-H608 PolarHBondContact O-NE2 3.3Å; L569-H608 PolarHBondContact N-NE2 3.24Å; G570-H608 PolarHBondContact N-NE2 3.06Å; L604-H608 WeakPolarHBondContact O-CB 3.37Å; L604-H608 PolarHBondContact O-N 3.07Å; L604-H608 PolarHBondContact O-ND1 3.48Å; H608-F613 HydrophobicContact CB-CE2 4.13Å |
| 609 | P | 82.9 | Confident | 85.8 | Confident | 78 Ų | 78 | 39.9 Ų | 39.9 | 51% | 0.506 | 22% | 0.222 | S | C | . | . | trans | -58.8 | 139.9 | 175.2 | -23 | 32.8 | 0 | 0 | 0 | 112.7 | S611 Y612 | P609-S611 PolarHBondContact O-N 3.01Å; P609-Y612 HydrophobicContact CB-CD2 4.17Å; P609-Y612 HydrophobicContact CB-CE2 4.43Å; P609-Y612 HydrophobicContact CG-CD2 4.29Å; P609-Y612 HydrophobicContact CG-CE2 4.15Å; P609-Y612 PolarHBondContact O-N 3.21Å | ||
| 610 | A | 80.9 | Confident | 86 | Confident | 17 Ų | 17 | 39.1 Ų | 39.1 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -56.7 | -27.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y612 F613 N649 S652 L653 | A610-Y612 PolarHBondContact O-N 2.89Å; A610-Y612 VanDerWaalsContact O-N 3.11Å; A610-F613 PolarHBondContact O-N 3.36Å; A610-N649 HydrophobicContact CB-CB 4.41Å; A610-S652 WeakPolarHBondContact CB-OG 3.43Å; A610-L653 HydrophobicContact CB-CD2 4.23Å; A610-L653 HydrophobicContact CB-CG 4.42Å; A610-L653 WeakPolarHBondContact O-CD2 3.22Å |
| 611 | S | 83.2 | Confident | 86.2 | Confident | 87 Ų | 87 | 39.4 Ų | 39.4 | 61% | 0.608 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -54 | -33.5 | 179.5 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | P609 F613 K614 | P609-S611 PolarHBondContact O-N 3.01Å; S611-F613 PolarHBondContact O-N 3.39Å; S611-K614 PolarHBondContact O-N 3.43Å |
| 612 | Y | 82.9 | Confident | 86.3 | Confident | 119 Ų | 119 | 42.7 Ų | 42.7 | 47% | 0.467 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -64.7 | -26.8 | 179.1 | -79.4 | -87 | 0 | 0 | 0 | 113.6 | L573 P609 A610 | L573-Y612 HydrophobicContact CD2-CD1 4.45Å; L573-Y612 HydrophobicContact CD2-CG 4.31Å; P609-Y612 HydrophobicContact CB-CD2 4.17Å; P609-Y612 HydrophobicContact CB-CE2 4.43Å; P609-Y612 HydrophobicContact CG-CD2 4.29Å; P609-Y612 HydrophobicContact CG-CE2 4.15Å; P609-Y612 PolarHBondContact O-N 3.21Å; A610-Y612 PolarHBondContact O-N 2.89Å; A610-Y612 VanDerWaalsContact O-N 3.11Å |
| 613 | F | 88.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -94.3 | -7.2 | -174 | -63.7 | -89.2 | 0 | 0 | 0 | 113.6 | L573 L577 L601 L604 L605 H608 A610 S611 S615 K616 L617 L620 L653 | L573-F613 HydrophobicContact CD1-CE1 3.79Å; L573-F613 HydrophobicContact CD1-CZ 3.85Å; L573-F613 HydrophobicContact CD2-CD1 4.21Å; L573-F613 HydrophobicContact CD2-CD2 4.38Å; L573-F613 HydrophobicContact CD2-CE1 3.78Å; L573-F613 HydrophobicContact CD2-CE2 3.96Å; L573-F613 HydrophobicContact CD2-CZ 3.64Å; L573-F613 HydrophobicContact CG-CE1 4.19Å; L573-F613 HydrophobicContact CG-CZ 4.33Å; L577-F613 HydrophobicContact CD1-CD1 4.07Å; L577-F613 HydrophobicContact CD1-CE1 4.33Å; L577-F613 HydrophobicContact CD2-CE1 4.46Å; L601-F613 HydrophobicContact CD1-CE1 4.29Å; L604-F613 HydrophobicContact CB-CE1 4.49Å; L604-F613 HydrophobicContact CB-CZ 4.02Å; L605-F613 HydrophobicContact CD2-CB 4.29Å; L605-F613 HydrophobicContact CD2-CD1 3.75Å; L605-F613 HydrophobicContact CD2-CD2 3.64Å; L605-F613 HydrophobicContact CD2-CE1 3.87Å; L605-F613 HydrophobicContact CD2-CE2 3.77Å; L605-F613 HydrophobicContact CD2-CG 3.62Å; L605-F613 HydrophobicContact CD2-CZ 3.88Å; L605-F613 HydrophobicContact CG-CD1 4.36Å; L605-F613 HydrophobicContact CG-CE1 4.06Å; L605-F613 HydrophobicContact CG-CE2 4.37Å; L605-F613 HydrophobicContact CG-CZ 4.07Å; H608-F613 HydrophobicContact CB-CE2 4.13Å; A610-F613 PolarHBondContact O-N 3.36Å; S611-F613 PolarHBondContact O-N 3.39Å; F613-S615 VanDerWaalsContact C-N 3.31Å; F613-S615 PolarHBondContact O-N 2.95Å; F613-K616 CarbonylContact O-C 3.58Å; F613-K616 PolarHBondContact O-N 3.27Å; F613-L617 PolarHBondContact O-N 2.98Å; F613-L617 VanDerWaalsContact O-N 3.1Å; F613-L620 HydrophobicContact CB-CD1 3.96Å; F613-L620 HydrophobicContact CD1-CD1 4.18Å; F613-L620 HydrophobicContact CG-CD1 4.42Å; F613-L653 HydrophobicContact CB-CD2 3.81Å |
| 614 | K | 85.8 | Confident | 86.9 | Confident | 127 Ų | 127 | 42.4 Ų | 42.4 | 55% | 0.552 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -56.9 | -40 | -173.9 | -174.3 | 166.7 | -174.1 | 175.2 | 0 | 113.6 | S611 K616 L653 | S611-K614 PolarHBondContact O-N 3.43Å; K614-K616 VanDerWaalsContact C-N 3.27Å; K614-K616 PolarHBondContact O-N 3.41Å; K614-L653 HydrophobicContact CB-CD2 4.44Å |
| 615 | S | 85.5 | Confident | 87.2 | Confident | 95 Ų | 95 | 43.9 Ų | 43.9 | 66% | 0.664 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -73.4 | -16.6 | 179.1 | 63 | 0 | 0 | 0 | 0 | 113.8 | F613 | F613-S615 VanDerWaalsContact C-N 3.31Å; F613-S615 PolarHBondContact O-N 2.95Å |
| 616 | K | 86.2 | Confident | 87.4 | Confident | 67 Ų | 67 | 47 Ų | 47 | 29% | 0.291 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -114.5 | 9.9 | -176.3 | -59.5 | -61.9 | -174.5 | 179.6 | 0 | 113 | L577 F613 K614 D618 L619 L620 | L577-K616 HydrophobicContact CD1-CB 3.9Å; L577-K616 HydrophobicContact CD1-CG 3.76Å; F613-K616 CarbonylContact O-C 3.58Å; F613-K616 PolarHBondContact O-N 3.27Å; K614-K616 VanDerWaalsContact C-N 3.27Å; K614-K616 PolarHBondContact O-N 3.41Å; K616-D618 PolarHBondContact O-N 3.06Å; K616-L619 WeakPolarHBondContact O-CB 3.26Å; K616-L619 PolarHBondContact O-N 3.47Å; K616-L620 PolarHBondContact O-N 3.39Å; K616-L620 VanDerWaalsContact O-N 3.13Å |
| 617 | L | 88.8 | Confident | 88 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -54.1 | -38.6 | -178.6 | 177.1 | 64.6 | 0 | 0 | 0 | 113.1 | F613 L619 L620 V621 L646 L650 L653 Y658 | F613-L617 PolarHBondContact O-N 2.98Å; F613-L617 VanDerWaalsContact O-N 3.1Å; L617-L619 VanDerWaalsContact C-N 3.27Å; L617-L619 PolarHBondContact O-N 3.17Å; L617-L620 WeakPolarHBondContact O-CB 3.38Å; L617-L620 PolarHBondContact O-N 3.49Å; L617-L620 VanDerWaalsContact O-N 3.12Å; L617-V621 HydrophobicContact CD1-CG2 4.11Å; L617-V621 HydrophobicContact CG-CG2 4.33Å; L617-V621 WeakPolarHBondContact O-CG2 3.45Å; L617-V621 PolarHBondContact O-N 3.45Å; L617-L646 HydrophobicContact CD1-CD1 3.93Å; L617-L650 HydrophobicContact CD1-CD1 4.17Å; L617-L653 HydrophobicContact CD1-CB 4.29Å; L617-L653 HydrophobicContact CD1-CD1 4.06Å; L617-L653 HydrophobicContact CD2-CB 4.26Å; L617-Y658 HydrophobicContact CD2-CD2 3.78Å; L617-Y658 HydrophobicContact CD2-CE2 3.75Å; L617-Y658 HydrophobicContact CG-CD2 4.13Å; L617-Y658 HydrophobicContact CG-CE2 4.04Å |
| 618 | D | 90 | Very high | 88.6 | Confident | 102 Ų | 102 | 43.9 Ų | 43.9 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.9 | -41.9 | 178.6 | -144.1 | 35 | 0 | 0 | 0 | 111.6 | K616 Q622 Y658 | K616-D618 PolarHBondContact O-N 3.06Å; D618-Q622 WeakPolarHBondContact O-CB 3.2Å; D618-Q622 PolarHBondContact O-N 3.11Å; D618-Y658 VanDerWaalsContact CG-OH 3.31Å; D618-Y658 WeakPolarHBondContact OD1-CE1 3.26Å; D618-Y658 PolarHBondContact OD1-OH 2.84Å |
| 619 | L | 88.3 | Confident | 88.9 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.7 | -44.9 | 174.7 | 173.8 | 64.8 | 0 | 0 | 0 | 111.3 | L577 K581 K616 L617 V621 Q622 L623 | L577-L619 HydrophobicContact CB-CD2 4.35Å; L577-L619 WeakPolarHBondContact O-CD2 3.48Å; K581-L619 HydrophobicContact CB-CD1 3.67Å; K581-L619 HydrophobicContact CB-CD2 3.84Å; K581-L619 HydrophobicContact CB-CG 4.41Å; K581-L619 HydrophobicContact CD-CD1 3.99Å; K581-L619 HydrophobicContact CD-CD2 4.5Å; K581-L619 HydrophobicContact CG-CD1 3.64Å; K581-L619 HydrophobicContact CG-CD2 4.49Å; K616-L619 WeakPolarHBondContact O-CB 3.26Å; K616-L619 PolarHBondContact O-N 3.47Å; L617-L619 VanDerWaalsContact C-N 3.27Å; L617-L619 PolarHBondContact O-N 3.17Å; L619-V621 VanDerWaalsContact C-N 3.3Å; L619-V621 PolarHBondContact O-N 2.95Å; L619-Q622 PolarHBondContact O-N 3.02Å; L619-L623 HydrophobicContact CD1-CD1 3.95Å; L619-L623 HydrophobicContact CD1-CD2 4.38Å; L619-L623 HydrophobicContact CD1-CG 3.95Å; L619-L623 HydrophobicContact CD2-CD1 4.49Å; L619-L623 HydrophobicContact CG-CD1 3.82Å; L619-L623 HydrophobicContact CG-CG 4.27Å; L619-L623 VanDerWaalsContact O-CG 3.23Å; L619-L623 WeakPolarHBondContact O-CG 3.32Å; L619-L623 PolarHBondContact O-N 3.15Å |
| 620 | L | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.8 | -47.9 | 178.4 | -60.5 | -177 | 0 | 0 | 0 | 110.9 | L577 L601 L605 F613 K616 L617 Q622 L623 T624 L646 | L577-L620 HydrophobicContact CD2-CD2 4.28Å; L601-L620 HydrophobicContact CD1-CD2 3.56Å; L601-L620 HydrophobicContact CD2-CD2 3.72Å; L601-L620 HydrophobicContact CG-CD2 4.12Å; L605-L620 HydrophobicContact CD2-CD1 4.34Å; F613-L620 HydrophobicContact CB-CD1 3.96Å; F613-L620 HydrophobicContact CD1-CD1 4.18Å; F613-L620 HydrophobicContact CG-CD1 4.42Å; K616-L620 PolarHBondContact O-N 3.39Å; K616-L620 VanDerWaalsContact O-N 3.13Å; L617-L620 WeakPolarHBondContact O-CB 3.38Å; L617-L620 PolarHBondContact O-N 3.49Å; L617-L620 VanDerWaalsContact O-N 3.12Å; L620-Q622 PolarHBondContact O-N 3.15Å; L620-L623 PolarHBondContact O-N 3.23Å; L620-T624 WeakPolarHBondContact O-CB 3.43Å; L620-T624 PolarHBondContact O-N 2.9Å; L620-T624 PolarHBondContact O-OG1 3.02Å; L620-L646 HydrophobicContact CD1-CD1 4.27Å |
| 621 | V | 93 | Very high | 89.6 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 178.5 | 171.6 | 0 | 0 | 0 | 0 | 111 | L617 L619 L623 T624 V625 L646 Y658 V661 L662 | L617-V621 HydrophobicContact CD1-CG2 4.11Å; L617-V621 HydrophobicContact CG-CG2 4.33Å; L617-V621 WeakPolarHBondContact O-CG2 3.45Å; L617-V621 PolarHBondContact O-N 3.45Å; L619-V621 VanDerWaalsContact C-N 3.3Å; L619-V621 PolarHBondContact O-N 2.95Å; V621-L623 PolarHBondContact O-N 3.35Å; V621-T624 PolarHBondContact O-N 3.13Å; V621-V625 VanDerWaalsContact O-CG2 3.28Å; V621-V625 WeakPolarHBondContact O-CG2 3.14Å; V621-V625 PolarHBondContact O-N 3.49Å; V621-L646 HydrophobicContact CG2-CD2 4.2Å; V621-Y658 HydrophobicContact CB-CD1 4.24Å; V621-Y658 HydrophobicContact CB-CG 4.4Å; V621-Y658 HydrophobicContact CG1-CD1 3.82Å; V621-Y658 HydrophobicContact CG1-CG 4.19Å; V621-Y658 HydrophobicContact CG2-CD1 4.05Å; V621-Y658 HydrophobicContact CG2-CD2 4.11Å; V621-Y658 HydrophobicContact CG2-CG 3.72Å; V621-V661 HydrophobicContact CG1-CG1 4.09Å; V621-L662 HydrophobicContact CB-CD2 4.25Å; V621-L662 HydrophobicContact CG1-CD2 3.8Å; V621-L662 HydrophobicContact CG1-CG 4.12Å; V621-L662 HydrophobicContact CG2-CD1 4.28Å; V621-L662 HydrophobicContact CG2-CD2 4.24Å; V621-L662 HydrophobicContact CG2-CG 4.38Å |
| 622 | Q | 91.9 | Very high | 89.9 | Confident | 71 Ų | 71 | 48.8 Ų | 48.8 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.9 | -47.9 | 177 | -175.6 | -173.3 | -13.5 | 0 | 0 | 111.6 | D618 L619 L620 T624 V625 Q626 | D618-Q622 WeakPolarHBondContact O-CB 3.2Å; D618-Q622 PolarHBondContact O-N 3.11Å; L619-Q622 PolarHBondContact O-N 3.02Å; L620-Q622 PolarHBondContact O-N 3.15Å; Q622-T624 PolarHBondContact O-N 3.05Å; Q622-V625 PolarHBondContact O-N 2.88Å; Q622-Q626 VanDerWaalsContact NE2-NE2 3.18Å; Q622-Q626 WeakPolarHBondContact O-CB 3.49Å; Q622-Q626 VanDerWaalsContact O-CG 3.32Å; Q622-Q626 WeakPolarHBondContact O-CG 3.39Å; Q622-Q626 PolarHBondContact O-N 3.11Å |
| 623 | L | 90.6 | Very high | 90.3 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 179.3 | -67.4 | 170.6 | 0 | 0 | 0 | 112.1 | I580 S584 M597 L601 L619 L620 V621 Q626 S627 | I580-L623 HydrophobicContact CG2-CD1 3.35Å; I580-L623 HydrophobicContact CG2-CD2 4.2Å; I580-L623 HydrophobicContact CG2-CG 4.43Å; S584-L623 WeakPolarHBondContact OG-CD2 3.37Å; M597-L623 HydrophobicContact CE-CD2 4.15Å; L601-L623 HydrophobicContact CD2-CD1 4.05Å; L619-L623 HydrophobicContact CD1-CD1 3.95Å; L619-L623 HydrophobicContact CD1-CD2 4.38Å; L619-L623 HydrophobicContact CD1-CG 3.95Å; L619-L623 HydrophobicContact CD2-CD1 4.49Å; L619-L623 HydrophobicContact CG-CD1 3.82Å; L619-L623 HydrophobicContact CG-CG 4.27Å; L619-L623 VanDerWaalsContact O-CG 3.23Å; L619-L623 WeakPolarHBondContact O-CG 3.32Å; L619-L623 PolarHBondContact O-N 3.15Å; L620-L623 PolarHBondContact O-N 3.23Å; V621-L623 PolarHBondContact O-N 3.35Å; L623-Q626 PolarHBondContact O-N 3.49Å; L623-S627 VanDerWaalsContact O-CB 3.3Å; L623-S627 WeakPolarHBondContact O-CB 3.4Å; L623-S627 PolarHBondContact O-N 3.09Å; L623-S627 PolarHBondContact O-OG 3.44Å |
| 624 | T | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 175.4 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | L620 V621 Q622 S627 I628 L642 L643 L662 | L620-T624 WeakPolarHBondContact O-CB 3.43Å; L620-T624 PolarHBondContact O-N 2.9Å; L620-T624 PolarHBondContact O-OG1 3.02Å; V621-T624 PolarHBondContact O-N 3.13Å; Q622-T624 PolarHBondContact O-N 3.05Å; T624-S627 WeakPolarHBondContact CA-OG 3.3Å; T624-S627 PolarHBondContact O-OG 2.91Å; T624-I628 HydrophobicContact CG2-CD1 3.72Å; T624-I628 WeakPolarHBondContact O-CB 3.47Å; T624-I628 WeakPolarHBondContact O-CD1 3.49Å; T624-I628 WeakPolarHBondContact O-CG1 3.23Å; T624-I628 PolarHBondContact O-N 3.05Å; T624-I628 VanDerWaalsContact O-N 3.09Å; T624-L642 VanDerWaalsContact OG1-CD2 3.31Å; T624-L642 WeakPolarHBondContact OG1-CD2 3.14Å; T624-L642 WeakPolarHBondContact OG1-CG 3.38Å; T624-L643 HydrophobicContact CG2-CB 3.6Å; T624-L643 HydrophobicContact CG2-CD1 3.99Å; T624-L643 HydrophobicContact CG2-CG 4.28Å; T624-L662 HydrophobicContact CG2-CD2 3.91Å |
| 625 | V | 94.1 | Very high | 90.6 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 20% | 0.2 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66 | -43.2 | 179 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | V621 Q622 N629 V661 L662 P665 | V621-V625 VanDerWaalsContact O-CG2 3.28Å; V621-V625 WeakPolarHBondContact O-CG2 3.14Å; V621-V625 PolarHBondContact O-N 3.49Å; Q622-V625 PolarHBondContact O-N 2.88Å; V625-N629 WeakPolarHBondContact O-CB 3.17Å; V625-N629 PolarHBondContact O-N 3.17Å; V625-N629 PolarHBondContact O-ND2 3.11Å; V625-N629 VanDerWaalsContact O-ND2 3.15Å; V625-V661 HydrophobicContact CG2-CG1 4.19Å; V625-L662 HydrophobicContact CG2-CD2 4.35Å; V625-P665 HydrophobicContact CG1-CG 4.3Å; V625-P665 HydrophobicContact CG2-CG 4.17Å |
| 626 | Q | 91.2 | Very high | 91 | Very high | 75 Ų | 75 | 39.7 Ų | 39.7 | 35% | 0.35 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 179.3 | -74.1 | 179.4 | -9.1 | 0 | 0 | 112.4 | S584 Q622 L623 N630 | S584-Q626 PolarHBondContact OG-OE1 3.06Å; Q622-Q626 VanDerWaalsContact NE2-NE2 3.18Å; Q622-Q626 WeakPolarHBondContact O-CB 3.49Å; Q622-Q626 VanDerWaalsContact O-CG 3.32Å; Q622-Q626 WeakPolarHBondContact O-CG 3.39Å; Q622-Q626 PolarHBondContact O-N 3.11Å; L623-Q626 PolarHBondContact O-N 3.49Å; Q626-N630 PolarHBondContact O-N 3.32Å |
| 627 | S | 92 | Very high | 91.2 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.4 | -44.3 | 179.9 | 52 | 0 | 0 | 0 | 0 | 112.4 | I598 L623 T624 N629 N630 A636 G639 | I598-S627 VanDerWaalsContact CD1-CB 3.45Å; L623-S627 VanDerWaalsContact O-CB 3.3Å; L623-S627 WeakPolarHBondContact O-CB 3.4Å; L623-S627 PolarHBondContact O-N 3.09Å; L623-S627 PolarHBondContact O-OG 3.44Å; T624-S627 WeakPolarHBondContact CA-OG 3.3Å; T624-S627 PolarHBondContact O-OG 2.91Å; S627-N629 VanDerWaalsContact C-N 3.28Å; S627-N629 PolarHBondContact O-N 3.41Å; S627-N630 WeakPolarHBondContact O-CB 3.16Å; S627-N630 PolarHBondContact O-N 2.9Å; S627-N630 VanDerWaalsContact O-N 3.12Å; S627-A636 VanDerWaalsContact O-CA 3.29Å; S627-A636 WeakPolarHBondContact O-CA 3.29Å; S627-G639 WeakPolarHBondContact OG-CA 3.32Å |
| 628 | I | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -35.8 | 177.5 | -66.4 | 168.3 | 0 | 0 | 0 | 111.9 | T624 N630 L640 L643 P665 Q669 | T624-I628 HydrophobicContact CG2-CD1 3.72Å; T624-I628 WeakPolarHBondContact O-CB 3.47Å; T624-I628 WeakPolarHBondContact O-CD1 3.49Å; T624-I628 WeakPolarHBondContact O-CG1 3.23Å; T624-I628 PolarHBondContact O-N 3.05Å; T624-I628 VanDerWaalsContact O-N 3.09Å; I628-N630 VanDerWaalsContact C-N 3.27Å; I628-N630 PolarHBondContact O-N 3.16Å; I628-L640 HydrophobicContact CD1-CD2 4.13Å; I628-L640 HydrophobicContact CG1-CD2 4.13Å; I628-L640 HydrophobicContact CG1-CG 4.42Å; I628-L640 HydrophobicContact CG2-CD2 4.37Å; I628-L643 HydrophobicContact CD1-CB 4.06Å; I628-L643 HydrophobicContact CD1-CD2 3.66Å; I628-L643 HydrophobicContact CD1-CG 4.44Å; I628-P665 HydrophobicContact CB-CB 4.34Å; I628-P665 HydrophobicContact CG2-CB 3.91Å; I628-Q669 HydrophobicContact CG2-CG 3.6Å; I628-Q669 PolarHBondContact O-NE2 2.99Å |
| 629 | N | 92.8 | Very high | 91.5 | Very high | 87 Ų | 87 | 33.5 Ų | 33.5 | 47% | 0.465 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 4.7 | 179.2 | -71.6 | -36.1 | 0 | 0 | 0 | 113.8 | V625 S627 | V625-N629 WeakPolarHBondContact O-CB 3.17Å; V625-N629 PolarHBondContact O-N 3.17Å; V625-N629 PolarHBondContact O-ND2 3.11Å; V625-N629 VanDerWaalsContact O-ND2 3.15Å; S627-N629 VanDerWaalsContact C-N 3.28Å; S627-N629 PolarHBondContact O-N 3.41Å |
| 630 | N | 90.6 | Very high | 91.7 | Very high | 24 Ų | 24 | 32.8 Ų | 32.8 | 13% | 0.128 | 17% | 0.166 | C | C | . | . | trans | -63.3 | 145.9 | -178.8 | -158 | -73.3 | 0 | 0 | 0 | 111.8 | Q626 S627 I628 F632 V635 | Q626-N630 PolarHBondContact O-N 3.32Å; S627-N630 WeakPolarHBondContact O-CB 3.16Å; S627-N630 PolarHBondContact O-N 2.9Å; S627-N630 VanDerWaalsContact O-N 3.12Å; I628-N630 VanDerWaalsContact C-N 3.27Å; I628-N630 PolarHBondContact O-N 3.16Å; N630-F632 VanDerWaalsContact C-N 3.3Å; N630-F632 PolarHBondContact O-N 3.44Å; N630-F632 PolarHBondContact OD1-N 2.96Å; N630-V635 HydrophobicContact CB-CB 4Å; N630-V635 HydrophobicContact CB-CG1 3.75Å | ||
| 631 | S | 88 | Confident | 91.4 | Very high | 111 Ų | 111 | 35 Ų | 35 | 78% | 0.776 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -67.4 | -32 | 176.8 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 632 | F | 89.7 | Confident | 91.3 | Very high | 74 Ų | 74 | 34.8 Ų | 34.8 | 33% | 0.325 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -86.5 | 112.6 | 178.6 | -170.5 | -121 | 0 | 0 | 0 | 110.6 | H591 M595 N630 R634 V635 A636 | H591-F632 HydrophobicContact CB-CD1 4.09Å; M595-F632 HydrophobicContact CE-CD1 4.1Å; M595-F632 HydrophobicContact CE-CE1 3.69Å; N630-F632 VanDerWaalsContact C-N 3.3Å; N630-F632 PolarHBondContact O-N 3.44Å; N630-F632 PolarHBondContact OD1-N 2.96Å; F632-R634 HydrophobicContact CD1-CB 4.07Å; F632-R634 HydrophobicContact CE1-CB 3.66Å; F632-R634 HydrophobicContact CE1-CG 4Å; F632-R634 HydrophobicContact CZ-CB 4.22Å; F632-R634 HydrophobicContact CZ-CG 4.05Å; F632-R634 PolarHBondContact O-N 3.01Å; F632-R634 VanDerWaalsContact O-N 3.1Å; F632-V635 HydrophobicContact CD1-CG2 4.05Å; F632-V635 PolarHBondContact O-N 3.35Å; F632-A636 PolarHBondContact O-N 3.31Å |
| 633 | Y | 91 | Very high | 91.4 | Very high | 50 Ų | 50 | 31.4 Ų | 31.4 | 20% | 0.196 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.7 | -32.9 | -169.9 | 81 | -85.8 | 0 | 0 | 0 | 113.9 | V635 A636 L637 D676 | Y633-V635 PolarHBondContact O-N 2.97Å; Y633-A636 CarbonylContact O-C 3.58Å; Y633-A636 WeakPolarHBondContact O-CA 3.29Å; Y633-A636 WeakPolarHBondContact O-CB 3.4Å; Y633-A636 PolarHBondContact O-N 3.24Å; Y633-A636 VanDerWaalsContact O-N 3.13Å; Y633-L637 HydrophobicContact CD2-CD1 4.06Å; Y633-L637 HydrophobicContact CE2-CD1 4.1Å; Y633-L637 PolarHBondContact O-N 3.37Å; Y633-D676 HydrophobicContact CD2-CB 4.03Å; Y633-D676 HydrophobicContact CE2-CB 4.45Å; Y633-D676 HydrophobicContact CG-CB 4.27Å |
| 634 | R | 89.9 | Confident | 91.3 | Very high | 99 Ų | 99 | 33 Ų | 33 | 37% | 0.374 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -70.2 | -30.7 | 179.7 | -61 | -172.1 | 177.6 | -166.3 | -3.2 | 113 | M595 F632 A636 L637 E638 | M595-R634 VanDerWaalsContact CE-C 3.44Å; M595-R634 HydrophobicContact CE-CB 2.99Å; M595-R634 HydrophobicContact CE-CG 4.12Å; F632-R634 HydrophobicContact CD1-CB 4.07Å; F632-R634 HydrophobicContact CE1-CB 3.66Å; F632-R634 HydrophobicContact CE1-CG 4Å; F632-R634 HydrophobicContact CZ-CB 4.22Å; F632-R634 HydrophobicContact CZ-CG 4.05Å; F632-R634 PolarHBondContact O-N 3.01Å; F632-R634 VanDerWaalsContact O-N 3.1Å; R634-A636 VanDerWaalsContact C-N 3.3Å; R634-L637 PolarHBondContact O-N 2.99Å; R634-E638 PolarHBondContact O-N 2.63Å |
| 635 | V | 91.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.2 | -35.1 | 170.5 | 172.6 | 0 | 0 | 0 | 0 | 110.1 | H591 K594 M595 I598 N630 F632 Y633 L637 E638 G639 | H591-V635 HydrophobicContact CB-CG2 4.35Å; K594-V635 HydrophobicContact CB-CG1 4.4Å; K594-V635 HydrophobicContact CB-CG2 4.29Å; M595-V635 HydrophobicContact CE-CG2 4.2Å; M595-V635 HydrophobicContact CG-CG2 3.84Å; I598-V635 HydrophobicContact CD1-CG1 4.07Å; N630-V635 HydrophobicContact CB-CB 4Å; N630-V635 HydrophobicContact CB-CG1 3.75Å; F632-V635 HydrophobicContact CD1-CG2 4.05Å; F632-V635 PolarHBondContact O-N 3.35Å; Y633-V635 PolarHBondContact O-N 2.97Å; V635-L637 VanDerWaalsContact C-N 3.33Å; V635-E638 PolarHBondContact O-N 2.85Å; V635-G639 PolarHBondContact O-N 3.29Å |
| 636 | A | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67 | -32.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S627 F632 Y633 R634 G639 L640 L679 | S627-A636 VanDerWaalsContact O-CA 3.29Å; S627-A636 WeakPolarHBondContact O-CA 3.29Å; F632-A636 PolarHBondContact O-N 3.31Å; Y633-A636 CarbonylContact O-C 3.58Å; Y633-A636 WeakPolarHBondContact O-CA 3.29Å; Y633-A636 WeakPolarHBondContact O-CB 3.4Å; Y633-A636 PolarHBondContact O-N 3.24Å; Y633-A636 VanDerWaalsContact O-N 3.13Å; R634-A636 VanDerWaalsContact C-N 3.3Å; A636-G639 PolarHBondContact O-N 3.19Å; A636-L640 WeakPolarHBondContact O-CG 3.27Å; A636-L640 PolarHBondContact O-N 2.92Å; A636-L679 HydrophobicContact CB-CD1 3.92Å; A636-L679 HydrophobicContact CB-CD2 4.25Å |
| 637 | L | 90.5 | Very high | 90.3 | Very high | 16 Ų | 16 | 29.2 Ų | 29.2 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.2 | -51.6 | 171.4 | -74.7 | 171.9 | 0 | 0 | 0 | 111.3 | Y633 R634 V635 G639 L640 D641 E678 L679 K682 | Y633-L637 HydrophobicContact CD2-CD1 4.06Å; Y633-L637 HydrophobicContact CE2-CD1 4.1Å; Y633-L637 PolarHBondContact O-N 3.37Å; R634-L637 PolarHBondContact O-N 2.99Å; V635-L637 VanDerWaalsContact C-N 3.33Å; L637-G639 PolarHBondContact O-N 3.19Å; L637-L640 WeakPolarHBondContact O-CA 3.41Å; L637-L640 WeakPolarHBondContact O-CB 3.39Å; L637-L640 PolarHBondContact O-N 3.23Å; L637-D641 PolarHBondContact O-N 3.41Å; L637-E678 HydrophobicContact CD1-CB 4.46Å; L637-E678 VanDerWaalsContact CD1-CD 3.46Å; L637-E678 HydrophobicContact CD1-CG 3.84Å; L637-E678 HydrophobicContact CD2-CG 4.1Å; L637-L679 HydrophobicContact CD2-CB 4.3Å; L637-L679 HydrophobicContact CD2-CD1 3.92Å; L637-L679 HydrophobicContact CG-CD1 4.17Å; L637-K682 HydrophobicContact CD2-CB 3.77Å; L637-K682 HydrophobicContact CD2-CG 4.03Å |
| 638 | E | 90.7 | Very high | 89.7 | Confident | 32 Ų | 32 | 30 Ų | 30 | 15% | 0.15 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.4 | -36.2 | 177 | -56 | -58.1 | 172.2 | 0 | 0 | 111.6 | M595 I598 N599 R634 V635 L640 D641 L642 | M595-E638 HydrophobicContact CG-CG 4.38Å; I598-E638 HydrophobicContact CB-CB 4.02Å; I598-E638 HydrophobicContact CD1-CB 3.99Å; I598-E638 HydrophobicContact CG2-CB 3.69Å; I598-E638 WeakPolarHBondContact CG2-O 3.35Å; N599-E638 PolarHBondContact OD1-OE2 2.95Å; R634-E638 PolarHBondContact O-N 2.63Å; V635-E638 PolarHBondContact O-N 2.85Å; E638-L640 VanDerWaalsContact C-N 3.32Å; E638-L640 PolarHBondContact O-N 3.08Å; E638-D641 WeakPolarHBondContact O-CB 3.41Å; E638-D641 PolarHBondContact O-N 3.22Å; E638-L642 PolarHBondContact O-N 2.91Å |
| 639 | G | 93.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -37 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S627 V635 A636 L637 L643 | S627-G639 WeakPolarHBondContact OG-CA 3.32Å; V635-G639 PolarHBondContact O-N 3.29Å; A636-G639 PolarHBondContact O-N 3.19Å; L637-G639 PolarHBondContact O-N 3.19Å; G639-L643 PolarHBondContact O-N 2.69Å |
| 640 | L | 91.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -71 | -35.3 | 174.2 | -73.4 | 178.1 | 0 | 0 | 0 | 112.1 | I628 A636 L637 E638 L643 Q644 L666 L679 K682 A683 V686 | I628-L640 HydrophobicContact CD1-CD2 4.13Å; I628-L640 HydrophobicContact CG1-CD2 4.13Å; I628-L640 HydrophobicContact CG1-CG 4.42Å; I628-L640 HydrophobicContact CG2-CD2 4.37Å; A636-L640 WeakPolarHBondContact O-CG 3.27Å; A636-L640 PolarHBondContact O-N 2.92Å; L637-L640 WeakPolarHBondContact O-CA 3.41Å; L637-L640 WeakPolarHBondContact O-CB 3.39Å; L637-L640 PolarHBondContact O-N 3.23Å; E638-L640 VanDerWaalsContact C-N 3.32Å; E638-L640 PolarHBondContact O-N 3.08Å; L640-L643 PolarHBondContact O-N 3.19Å; L640-Q644 WeakPolarHBondContact O-CB 3.42Å; L640-Q644 PolarHBondContact O-N 3.27Å; L640-L666 HydrophobicContact CD2-CD1 3.76Å; L640-L679 HydrophobicContact CD1-CD1 3.58Å; L640-K682 HydrophobicContact CB-CG 3.85Å; L640-K682 HydrophobicContact CD1-CB 3.95Å; L640-K682 HydrophobicContact CD1-CG 3.75Å; L640-K682 HydrophobicContact CG-CG 4.49Å; L640-A683 HydrophobicContact CD1-CB 4.16Å; L640-V686 HydrophobicContact CB-CG2 4.11Å; L640-V686 HydrophobicContact CD2-CG1 4.42Å |
| 641 | D | 86.5 | Confident | 88.5 | Confident | 47 Ų | 47 | 30.1 Ų | 30.1 | 25% | 0.251 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.6 | -45.6 | 171.9 | -87.1 | -57.5 | 0 | 0 | 0 | 111.9 | L637 E638 L643 Q644 I645 K682 | L637-D641 PolarHBondContact O-N 3.41Å; E638-D641 WeakPolarHBondContact O-CB 3.41Å; E638-D641 PolarHBondContact O-N 3.22Å; D641-L643 VanDerWaalsContact C-N 3.33Å; D641-L643 PolarHBondContact O-N 3.04Å; D641-Q644 WeakPolarHBondContact O-CB 3.35Å; D641-Q644 PolarHBondContact O-N 3.32Å; D641-I645 PolarHBondContact O-N 2.84Å; D641-K682 VanDerWaalsContact CG-CE 3.41Å; D641-K682 VanDerWaalsContact CG-NZ 3.33Å; D641-K682 WeakPolarHBondContact OD1-CE 3.5Å; D641-K682 IonicContact OD1-NZ 3.48Å; D641-K682 PolarHBondContact OD1-NZ 3.24Å; D641-K682 VanDerWaalsContact OD2-CE 3.23Å; D641-K682 WeakPolarHBondContact OD2-CE 3.38Å; D641-K682 IonicContact OD2-NZ 2.83Å; D641-K682 PolarHBondContact OD2-NZ 3.41Å |
| 642 | L | 91 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.3 | -44 | 173.2 | 179.9 | 61.5 | 0 | 0 | 0 | 111.7 | I598 L601 V602 L605 T624 E638 Q644 I645 L646 | I598-L642 HydrophobicContact CG2-CB 4.01Å; I598-L642 HydrophobicContact CG2-CD2 4.35Å; L601-L642 HydrophobicContact CD2-CD1 3.67Å; L601-L642 HydrophobicContact CD2-CD2 3.66Å; L601-L642 HydrophobicContact CD2-CG 4.33Å; L601-L642 HydrophobicContact CG-CD1 3.79Å; V602-L642 HydrophobicContact CG2-CB 4.05Å; V602-L642 HydrophobicContact CG2-CD1 4.26Å; L605-L642 HydrophobicContact CD1-CD1 3.55Å; T624-L642 VanDerWaalsContact OG1-CD2 3.31Å; T624-L642 WeakPolarHBondContact OG1-CD2 3.14Å; T624-L642 WeakPolarHBondContact OG1-CG 3.38Å; E638-L642 PolarHBondContact O-N 2.91Å; L642-Q644 VanDerWaalsContact C-N 3.33Å; L642-Q644 PolarHBondContact O-N 3.02Å; L642-I645 PolarHBondContact O-N 3.49Å; L642-L646 VanDerWaalsContact O-CB 3.31Å; L642-L646 WeakPolarHBondContact O-CB 3.43Å; L642-L646 PolarHBondContact O-N 3.32Å |
| 643 | L | 93.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 176.4 | 179.1 | 56.8 | 0 | 0 | 0 | 111.8 | T624 I628 G639 L640 D641 I645 L646 C647 L662 L666 V686 F690 | T624-L643 HydrophobicContact CG2-CB 3.6Å; T624-L643 HydrophobicContact CG2-CD1 3.99Å; T624-L643 HydrophobicContact CG2-CG 4.28Å; I628-L643 HydrophobicContact CD1-CB 4.06Å; I628-L643 HydrophobicContact CD1-CD2 3.66Å; I628-L643 HydrophobicContact CD1-CG 4.44Å; G639-L643 PolarHBondContact O-N 2.69Å; L640-L643 PolarHBondContact O-N 3.19Å; D641-L643 VanDerWaalsContact C-N 3.33Å; D641-L643 PolarHBondContact O-N 3.04Å; L643-I645 PolarHBondContact O-N 2.88Å; L643-L646 PolarHBondContact O-N 2.82Å; L643-C647 PolarHBondContact O-N 3.04Å; L643-C647 PolarHBondContact O-SG 2.93Å; L643-L662 HydrophobicContact CD1-CB 3.91Å; L643-L662 HydrophobicContact CD1-CD1 4.16Å; L643-L662 HydrophobicContact CD1-CD2 4.08Å; L643-L662 HydrophobicContact CD1-CG 4.29Å; L643-L666 HydrophobicContact CD2-CB 3.87Å; L643-L666 HydrophobicContact CD2-CD1 4.11Å; L643-L666 HydrophobicContact CD2-CD2 3.95Å; L643-L666 HydrophobicContact CD2-CG 4.19Å; L643-V686 HydrophobicContact CB-CG1 4.26Å; L643-V686 HydrophobicContact CD2-CG1 3.88Å; L643-V686 HydrophobicContact CG-CG1 3.93Å; L643-F690 HydrophobicContact CD1-CD2 4.44Å |
| 644 | Q | 88.4 | Confident | 87.7 | Confident | 37 Ų | 37 | 24.7 Ų | 24.7 | 17% | 0.173 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.7 | -46.8 | -178.7 | -166.1 | -178.2 | -59.4 | 0 | 0 | 111.6 | L640 D641 L642 C647 V686 V689 | L640-Q644 WeakPolarHBondContact O-CB 3.42Å; L640-Q644 PolarHBondContact O-N 3.27Å; D641-Q644 WeakPolarHBondContact O-CB 3.35Å; D641-Q644 PolarHBondContact O-N 3.32Å; L642-Q644 VanDerWaalsContact C-N 3.33Å; L642-Q644 PolarHBondContact O-N 3.02Å; Q644-C647 PolarHBondContact O-N 3.22Å; Q644-V686 HydrophobicContact CB-CG1 4.39Å; Q644-V686 HydrophobicContact CB-CG2 4.04Å; Q644-V686 HydrophobicContact CG-CG2 4.36Å; Q644-V689 HydrophobicContact CG-CB 4.15Å; Q644-V689 HydrophobicContact CG-CG1 3.95Å; Q644-V689 HydrophobicContact CG-CG2 4.13Å |
| 645 | I | 84.1 | Confident | 87.4 | Confident | 28 Ų | 28 | 20 Ų | 20 | 14% | 0.144 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.1 | -37 | 177.1 | -63.3 | 176.9 | 0 | 0 | 0 | 111.4 | V602 L605 D641 L642 L643 C647 T648 N649 | V602-I645 HydrophobicContact CB-CD1 4.37Å; V602-I645 HydrophobicContact CG1-CD1 3.67Å; L605-I645 HydrophobicContact CB-CG2 3.87Å; L605-I645 HydrophobicContact CD1-CG2 4.38Å; D641-I645 PolarHBondContact O-N 2.84Å; L642-I645 PolarHBondContact O-N 3.49Å; L643-I645 PolarHBondContact O-N 2.88Å; I645-C647 VanDerWaalsContact C-N 3.29Å; I645-C647 PolarHBondContact O-N 2.93Å; I645-T648 PolarHBondContact O-N 3.32Å; I645-T648 PolarHBondContact O-OG1 2.87Å; I645-N649 PolarHBondContact O-N 2.98Å; I645-N649 PolarHBondContact O-ND2 3.47Å |
| 646 | L | 88 | Confident | 87 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.5 | -35.3 | 177.1 | -170.2 | 63 | 0 | 0 | 0 | 111.2 | L617 L620 V621 L642 L643 T648 N649 L650 L653 L662 | L617-L646 HydrophobicContact CD1-CD1 3.93Å; L620-L646 HydrophobicContact CD1-CD1 4.27Å; V621-L646 HydrophobicContact CG2-CD2 4.2Å; L642-L646 VanDerWaalsContact O-CB 3.31Å; L642-L646 WeakPolarHBondContact O-CB 3.43Å; L642-L646 PolarHBondContact O-N 3.32Å; L643-L646 PolarHBondContact O-N 2.82Å; L646-T648 PolarHBondContact O-N 3.35Å; L646-N649 CarbonylContact O-C 3.59Å; L646-N649 PolarHBondContact O-N 3.48Å; L646-L650 HydrophobicContact CD1-CD1 4.48Å; L646-L650 HydrophobicContact CG-CD1 4.26Å; L646-L650 WeakPolarHBondContact O-CA 3.42Å; L646-L650 VanDerWaalsContact O-CB 3.29Å; L646-L650 WeakPolarHBondContact O-CB 3.19Å; L646-L650 PolarHBondContact O-N 3.27Å; L646-L653 HydrophobicContact CD1-CD1 3.73Å; L646-L662 HydrophobicContact CD2-CD1 3.74Å; L646-L662 HydrophobicContact CD2-CD2 4.13Å; L646-L662 HydrophobicContact CG-CD1 4.39Å |
| 647 | C | 85 | Confident | 86.7 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 178.3 | -69.4 | 0 | 0 | 0 | 0 | 113.1 | L643 Q644 I645 N649 F690 I694 | L643-C647 PolarHBondContact O-N 3.04Å; L643-C647 PolarHBondContact O-SG 2.93Å; Q644-C647 PolarHBondContact O-N 3.22Å; I645-C647 VanDerWaalsContact C-N 3.29Å; I645-C647 PolarHBondContact O-N 2.93Å; C647-N649 VanDerWaalsContact C-N 3.33Å; C647-F690 WeakPolarHBondContact SG-CD2 3.45Å; C647-I694 HydrophobicContact CB-CD1 4.27Å |
| 648 | T | 80.9 | Confident | 86.7 | Confident | 22 Ų | 22 | 33.1 Ų | 33.1 | 14% | 0.135 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69 | -36.8 | 177.7 | 59 | 0 | 0 | 0 | 0 | 110.8 | I645 L646 V689 Q693 | I645-T648 PolarHBondContact O-N 3.32Å; I645-T648 PolarHBondContact O-OG1 2.87Å; L646-T648 PolarHBondContact O-N 3.35Å; T648-V689 HydrophobicContact CG2-CG1 4.32Å; T648-Q693 HydrophobicContact CG2-CG 4.27Å |
| 649 | N | 82.9 | Confident | 86.6 | Confident | 25 Ų | 25 | 31.6 Ų | 31.6 | 13% | 0.134 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -92.2 | -5 | -177.8 | -69.4 | -73.4 | 0 | 0 | 0 | 115 | A610 I645 L646 C647 K651 S652 L653 | A610-N649 HydrophobicContact CB-CB 4.41Å; I645-N649 PolarHBondContact O-N 2.98Å; I645-N649 PolarHBondContact O-ND2 3.47Å; L646-N649 CarbonylContact O-C 3.59Å; L646-N649 PolarHBondContact O-N 3.48Å; C647-N649 VanDerWaalsContact C-N 3.33Å; N649-K651 VanDerWaalsContact C-N 3.28Å; N649-K651 PolarHBondContact O-N 3.45Å; N649-S652 PolarHBondContact O-N 3.19Å; N649-S652 PolarHBondContact O-OG 3.26Å; N649-L653 HydrophobicContact CB-CD1 3.97Å; N649-L653 HydrophobicContact CB-CG 4.47Å; N649-L653 WeakPolarHBondContact O-CD1 3.44Å; N649-L653 VanDerWaalsContact O-CG 3.27Å; N649-L653 WeakPolarHBondContact O-CG 3.23Å; N649-L653 PolarHBondContact O-N 2.97Å |
| 650 | L | 86.2 | Confident | 86.5 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -37.2 | -168.2 | -165.6 | 66.4 | 0 | 0 | 0 | 112.6 | L617 L646 L653 G654 G655 A659 L662 I694 | L617-L650 HydrophobicContact CD1-CD1 4.17Å; L646-L650 HydrophobicContact CD1-CD1 4.48Å; L646-L650 HydrophobicContact CG-CD1 4.26Å; L646-L650 WeakPolarHBondContact O-CA 3.42Å; L646-L650 VanDerWaalsContact O-CB 3.29Å; L646-L650 WeakPolarHBondContact O-CB 3.19Å; L646-L650 PolarHBondContact O-N 3.27Å; L650-L653 PolarHBondContact O-N 2.86Å; L650-G654 PolarHBondContact O-N 3.34Å; L650-G655 PolarHBondContact O-N 3.17Å; L650-A659 HydrophobicContact CD2-CB 4.39Å; L650-L662 HydrophobicContact CD1-CD1 4.25Å; L650-L662 HydrophobicContact CD2-CD1 4.36Å; L650-I694 HydrophobicContact CB-CD1 4.48Å; L650-I694 HydrophobicContact CD2-CD1 3.55Å |
| 651 | K | 82.9 | Confident | 86.5 | Confident | 88 Ų | 88 | 38.8 Ų | 38.8 | 38% | 0.383 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -46.5 | 177.6 | -65.3 | -176.4 | -167.9 | 173 | 0 | 111.8 | N649 L653 G654 Q693 I694 Y696 | N649-K651 VanDerWaalsContact C-N 3.28Å; N649-K651 PolarHBondContact O-N 3.45Å; K651-L653 PolarHBondContact O-N 2.67Å; K651-G654 PolarHBondContact O-N 3.36Å; K651-Q693 WeakPolarHBondContact CE-O 3.44Å; K651-Q693 PolarHBondContact NZ-O 2.84Å; K651-I694 HydrophobicContact CG-CG2 4.26Å; K651-Y696 VanDerWaalsContact CE-OH 3.29Å; K651-Y696 WeakPolarHBondContact CE-OH 3.37Å |
| 652 | S | 82.8 | Confident | 86.8 | Confident | 69 Ų | 69 | 36.6 Ų | 36.6 | 48% | 0.483 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -29.9 | 179.1 | 65.4 | 0 | 0 | 0 | 0 | 111.7 | A610 N649 G654 | A610-S652 WeakPolarHBondContact CB-OG 3.43Å; N649-S652 PolarHBondContact O-N 3.19Å; N649-S652 PolarHBondContact O-OG 3.26Å; S652-G654 VanDerWaalsContact C-N 3.32Å |
| 653 | L | 85.3 | Confident | 86.9 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10.5 | 173.6 | -65.6 | 166.6 | 0 | 0 | 0 | 113.9 | A610 F613 K614 L617 L646 N649 L650 K651 G655 | A610-L653 HydrophobicContact CB-CD2 4.23Å; A610-L653 HydrophobicContact CB-CG 4.42Å; A610-L653 WeakPolarHBondContact O-CD2 3.22Å; F613-L653 HydrophobicContact CB-CD2 3.81Å; K614-L653 HydrophobicContact CB-CD2 4.44Å; L617-L653 HydrophobicContact CD1-CB 4.29Å; L617-L653 HydrophobicContact CD1-CD1 4.06Å; L617-L653 HydrophobicContact CD2-CB 4.26Å; L646-L653 HydrophobicContact CD1-CD1 3.73Å; N649-L653 HydrophobicContact CB-CD1 3.97Å; N649-L653 HydrophobicContact CB-CG 4.47Å; N649-L653 WeakPolarHBondContact O-CD1 3.44Å; N649-L653 VanDerWaalsContact O-CG 3.27Å; N649-L653 WeakPolarHBondContact O-CG 3.23Å; N649-L653 PolarHBondContact O-N 2.97Å; L650-L653 PolarHBondContact O-N 2.86Å; K651-L653 PolarHBondContact O-N 2.67Å; L653-G655 VanDerWaalsContact C-N 3.29Å |
| 654 | G | 83 | Confident | 86.9 | Confident | 48 Ų | 48 | 40 Ų | 40 | 50% | 0.495 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 28.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L650 K651 S652 E656 | L650-G654 PolarHBondContact O-N 3.34Å; K651-G654 PolarHBondContact O-N 3.36Å; S652-G654 VanDerWaalsContact C-N 3.32Å; G654-E656 VanDerWaalsContact C-N 3.31Å; G654-E656 PolarHBondContact O-N 3.06Å |
| 655 | G | 83.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -89 | 18.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | L650 L653 K657 Y658 | L650-G655 PolarHBondContact O-N 3.17Å; L653-G655 VanDerWaalsContact C-N 3.29Å; G655-K657 VanDerWaalsContact C-N 3.28Å; G655-K657 PolarHBondContact O-N 3.26Å; G655-K657 VanDerWaalsContact O-N 3.16Å; G655-Y658 PolarHBondContact O-N 2.82Å | ||
| 656 | E | 84.1 | Confident | 87.7 | Confident | 103 Ų | 103 | 37 Ų | 37 | 48% | 0.481 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -52.7 | -41.8 | -169.5 | -65.4 | -155.5 | 161.7 | 0 | 0 | 113.9 | G654 Y658 A659 M697 | G654-E656 VanDerWaalsContact C-N 3.31Å; G654-E656 PolarHBondContact O-N 3.06Å; E656-Y658 PolarHBondContact O-N 3.32Å; E656-Y658 VanDerWaalsContact O-N 3.12Å; E656-A659 WeakPolarHBondContact O-CB 3.46Å; E656-A659 PolarHBondContact O-N 3.37Å; E656-M697 HydrophobicContact CB-CE 3.26Å; E656-M697 HydrophobicContact CG-CE 3.59Å; E656-M697 WeakPolarHBondContact O-CE 3.18Å |
| 657 | K | 87.2 | Confident | 87.9 | Confident | 159 Ų | 159 | 38.7 Ų | 38.7 | 69% | 0.691 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -61.7 | -19.7 | 178.7 | 64.6 | -178.3 | -176.9 | 168.6 | 0 | 114.9 | G655 | G655-K657 VanDerWaalsContact C-N 3.28Å; G655-K657 PolarHBondContact O-N 3.26Å; G655-K657 VanDerWaalsContact O-N 3.16Å |
| 658 | Y | 89.9 | Confident | 88.4 | Confident | 31 Ų | 31 | 42.7 Ų | 42.7 | 12% | 0.122 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -90.9 | -6.1 | -178.4 | -60.9 | -74.3 | 0 | 0 | 0 | 113.7 | L617 D618 V621 G655 E656 Q660 V661 L662 | L617-Y658 HydrophobicContact CD2-CD2 3.78Å; L617-Y658 HydrophobicContact CD2-CE2 3.75Å; L617-Y658 HydrophobicContact CG-CD2 4.13Å; L617-Y658 HydrophobicContact CG-CE2 4.04Å; D618-Y658 VanDerWaalsContact CG-OH 3.31Å; D618-Y658 WeakPolarHBondContact OD1-CE1 3.26Å; D618-Y658 PolarHBondContact OD1-OH 2.84Å; V621-Y658 HydrophobicContact CB-CD1 4.24Å; V621-Y658 HydrophobicContact CB-CG 4.4Å; V621-Y658 HydrophobicContact CG1-CD1 3.82Å; V621-Y658 HydrophobicContact CG1-CG 4.19Å; V621-Y658 HydrophobicContact CG2-CD1 4.05Å; V621-Y658 HydrophobicContact CG2-CD2 4.11Å; V621-Y658 HydrophobicContact CG2-CG 3.72Å; G655-Y658 PolarHBondContact O-N 2.82Å; E656-Y658 PolarHBondContact O-N 3.32Å; E656-Y658 VanDerWaalsContact O-N 3.12Å; Y658-Q660 VanDerWaalsContact C-N 3.32Å; Y658-Q660 PolarHBondContact O-N 2.83Å; Y658-V661 WeakPolarHBondContact O-CB 2.98Å; Y658-V661 PolarHBondContact O-N 3.49Å; Y658-L662 PolarHBondContact O-N 3.41Å |
| 659 | A | 89.3 | Confident | 88.9 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54 | -47.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L650 E656 V661 L662 F663 M697 V698 | L650-A659 HydrophobicContact CD2-CB 4.39Å; E656-A659 WeakPolarHBondContact O-CB 3.46Å; E656-A659 PolarHBondContact O-N 3.37Å; A659-V661 VanDerWaalsContact C-N 3.33Å; A659-V661 PolarHBondContact O-N 2.84Å; A659-L662 PolarHBondContact O-N 3.49Å; A659-F663 VanDerWaalsContact O-CB 3.24Å; A659-F663 WeakPolarHBondContact O-CB 3.26Å; A659-F663 PolarHBondContact O-N 3.36Å; A659-M697 HydrophobicContact CB-CB 3.68Å; A659-M697 HydrophobicContact CB-CE 4.37Å; A659-M697 HydrophobicContact CB-CG 4.44Å; A659-M697 HydrophobicContact CB-SD 3.99Å; A659-V698 HydrophobicContact CB-CG2 4.34Å |
| 660 | Q | 90.5 | Very high | 89.4 | Confident | 77 Ų | 77 | 40.8 Ų | 40.8 | 36% | 0.36 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.8 | -36.2 | 178.1 | -168.2 | 65.2 | 28.3 | 0 | 0 | 113.1 | Y658 F663 T664 | Y658-Q660 VanDerWaalsContact C-N 3.32Å; Y658-Q660 PolarHBondContact O-N 2.83Å; Q660-F663 PolarHBondContact O-N 3.45Å; Q660-T664 PolarHBondContact O-N 2.93Å; Q660-T664 PolarHBondContact O-OG1 2.84Å |
| 661 | V | 92.1 | Very high | 89.7 | Confident | 73 Ų | 73 | 47.1 Ų | 47.1 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.3 | -42.7 | -179.9 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | V621 V625 Y658 A659 P665 | V621-V661 HydrophobicContact CG1-CG1 4.09Å; V625-V661 HydrophobicContact CG2-CG1 4.19Å; Y658-V661 WeakPolarHBondContact O-CB 2.98Å; Y658-V661 PolarHBondContact O-N 3.49Å; A659-V661 VanDerWaalsContact C-N 3.33Å; A659-V661 PolarHBondContact O-N 2.84Å; V661-P665 WeakPolarHBondContact O-CD 3.26Å |
| 662 | L | 92.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72 | -33.8 | 176.4 | -68.6 | 173.8 | 0 | 0 | 0 | 112.6 | V621 T624 V625 L643 L646 L650 Y658 A659 P665 F690 | V621-L662 HydrophobicContact CB-CD2 4.25Å; V621-L662 HydrophobicContact CG1-CD2 3.8Å; V621-L662 HydrophobicContact CG1-CG 4.12Å; V621-L662 HydrophobicContact CG2-CD1 4.28Å; V621-L662 HydrophobicContact CG2-CD2 4.24Å; V621-L662 HydrophobicContact CG2-CG 4.38Å; T624-L662 HydrophobicContact CG2-CD2 3.91Å; V625-L662 HydrophobicContact CG2-CD2 4.35Å; L643-L662 HydrophobicContact CD1-CB 3.91Å; L643-L662 HydrophobicContact CD1-CD1 4.16Å; L643-L662 HydrophobicContact CD1-CD2 4.08Å; L643-L662 HydrophobicContact CD1-CG 4.29Å; L646-L662 HydrophobicContact CD2-CD1 3.74Å; L646-L662 HydrophobicContact CD2-CD2 4.13Å; L646-L662 HydrophobicContact CG-CD1 4.39Å; L650-L662 HydrophobicContact CD1-CD1 4.25Å; L650-L662 HydrophobicContact CD2-CD1 4.36Å; Y658-L662 PolarHBondContact O-N 3.41Å; A659-L662 PolarHBondContact O-N 3.49Å; L662-P665 WeakPolarHBondContact O-CD 3.44Å; L662-P665 WeakPolarHBondContact O-CG 3.35Å; L662-F690 HydrophobicContact CB-CE2 4.21Å |
| 663 | F | 92.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.5 | -39.7 | -179.3 | 178.2 | -98.7 | 0 | 0 | 0 | 113 | A659 Q660 L666 F667 F690 V698 N701 C705 | A659-F663 VanDerWaalsContact O-CB 3.24Å; A659-F663 WeakPolarHBondContact O-CB 3.26Å; A659-F663 PolarHBondContact O-N 3.36Å; Q660-F663 PolarHBondContact O-N 3.45Å; F663-L666 WeakPolarHBondContact O-CB 3.28Å; F663-L666 PolarHBondContact O-N 3.33Å; F663-F667 HydrophobicContact CD1-CB 4.33Å; F663-F667 HydrophobicContact CE1-CB 3.91Å; F663-F667 HydrophobicContact CE1-CD2 4.02Å; F663-F667 HydrophobicContact CE1-CG 4.08Å; F663-F667 HydrophobicContact CZ-CB 4.13Å; F663-F667 AromaticContact CZ-CD2 3.73Å; F663-F667 HydrophobicContact CZ-CD2 3.73Å; F663-F667 HydrophobicContact CZ-CG 4.21Å; F663-F667 WeakPolarHBondContact O-CB 3.43Å; F663-F667 PolarHBondContact O-N 3.43Å; F663-F690 HydrophobicContact CB-CE1 4.22Å; F663-F690 HydrophobicContact CB-CE2 4.33Å; F663-F690 HydrophobicContact CB-CZ 3.8Å; F663-F690 HydrophobicContact CD2-CD1 4.11Å; F663-F690 AromaticContact CD2-CE1 3.8Å; F663-F690 HydrophobicContact CD2-CE1 3.8Å; F663-F690 HydrophobicContact CD2-CZ 4.19Å; F663-F690 HydrophobicContact CG-CE1 4.44Å; F663-F690 HydrophobicContact CG-CZ 4.48Å; F663-V698 HydrophobicContact CB-CG1 4.15Å; F663-V698 HydrophobicContact CB-CG2 4.19Å; F663-V698 HydrophobicContact CD1-CG1 3.44Å; F663-V698 VanDerWaalsContact CD1-CG1 3.44Å; F663-V698 HydrophobicContact CD2-CB 4.49Å; F663-V698 HydrophobicContact CD2-CG1 3.96Å; F663-V698 HydrophobicContact CD2-CG2 4.4Å; F663-V698 HydrophobicContact CE1-CG1 3.71Å; F663-V698 HydrophobicContact CE2-CG1 4.18Å; F663-V698 HydrophobicContact CG-CB 4.42Å; F663-V698 HydrophobicContact CG-CG1 3.56Å; F663-V698 HydrophobicContact CG-CG2 4.25Å; F663-V698 HydrophobicContact CZ-CG1 4.05Å; F663-N701 HydrophobicContact CD1-CB 4.47Å; F663-N701 HydrophobicContact CE1-CB 3.45Å; F663-N701 VanDerWaalsContact CE1-CB 3.45Å; F663-N701 HydrophobicContact CZ-CB 3.64Å; F663-C705 WeakPolarHBondContact CE2-SG 3.4Å; F663-C705 WeakPolarHBondContact CZ-SG 3.12Å |
| 664 | T | 93.2 | Very high | 90.4 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 42% | 0.417 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -54.8 | -52.9 | -176.7 | -58 | 0 | 0 | 0 | 0 | 114 | Q660 F667 N668 | Q660-T664 PolarHBondContact O-N 2.93Å; Q660-T664 PolarHBondContact O-OG1 2.84Å; T664-F667 PolarHBondContact O-N 3.47Å; T664-N668 PolarHBondContact O-N 3.04Å; T664-N668 VanDerWaalsContact O-N 3.11Å; T664-N668 PolarHBondContact O-ND2 2.9Å |
| 665 | P | 93.9 | Very high | 90.7 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.8 | -35.3 | 177 | 27.3 | -35.9 | 0 | 0 | 0 | 112.9 | V625 I628 V661 L662 N668 Q669 | V625-P665 HydrophobicContact CG1-CG 4.3Å; V625-P665 HydrophobicContact CG2-CG 4.17Å; I628-P665 HydrophobicContact CB-CB 4.34Å; I628-P665 HydrophobicContact CG2-CB 3.91Å; V661-P665 WeakPolarHBondContact O-CD 3.26Å; L662-P665 WeakPolarHBondContact O-CD 3.44Å; L662-P665 WeakPolarHBondContact O-CG 3.35Å; P665-N668 PolarHBondContact O-N 2.94Å; P665-Q669 WeakPolarHBondContact O-CG 3.49Å; P665-Q669 PolarHBondContact O-N 3.34Å; P665-Q669 VanDerWaalsContact O-N 3.07Å |
| 666 | L | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 174.4 | 176.7 | 63 | 0 | 0 | 0 | 111.5 | L640 L643 F663 N668 Q669 L670 V686 F690 | L640-L666 HydrophobicContact CD2-CD1 3.76Å; L643-L666 HydrophobicContact CD2-CB 3.87Å; L643-L666 HydrophobicContact CD2-CD1 4.11Å; L643-L666 HydrophobicContact CD2-CD2 3.95Å; L643-L666 HydrophobicContact CD2-CG 4.19Å; F663-L666 WeakPolarHBondContact O-CB 3.28Å; F663-L666 PolarHBondContact O-N 3.33Å; L666-N668 VanDerWaalsContact C-N 3.32Å; L666-N668 PolarHBondContact O-N 3.48Å; L666-Q669 PolarHBondContact O-N 3.24Å; L666-L670 PolarHBondContact O-N 2.91Å; L666-V686 HydrophobicContact CD1-CB 4.14Å; L666-V686 HydrophobicContact CD1-CG1 3.92Å; L666-V686 HydrophobicContact CD2-CG1 4.34Å; L666-F690 HydrophobicContact CD2-CB 3.87Å; L666-F690 HydrophobicContact CD2-CD2 3.89Å; L666-F690 HydrophobicContact CD2-CG 3.94Å |
| 667 | F | 94.1 | Very high | 91.3 | Very high | 34 Ų | 34 | 55.1 Ų | 55.1 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 178 | -173.7 | -102 | 0 | 0 | 0 | 112 | F663 T664 Q669 L670 K671 D704 C705 L708 | F663-F667 HydrophobicContact CD1-CB 4.33Å; F663-F667 HydrophobicContact CE1-CB 3.91Å; F663-F667 HydrophobicContact CE1-CD2 4.02Å; F663-F667 HydrophobicContact CE1-CG 4.08Å; F663-F667 HydrophobicContact CZ-CB 4.13Å; F663-F667 AromaticContact CZ-CD2 3.73Å; F663-F667 HydrophobicContact CZ-CD2 3.73Å; F663-F667 HydrophobicContact CZ-CG 4.21Å; F663-F667 WeakPolarHBondContact O-CB 3.43Å; F663-F667 PolarHBondContact O-N 3.43Å; T664-F667 PolarHBondContact O-N 3.47Å; F667-Q669 PolarHBondContact O-N 2.91Å; F667-L670 PolarHBondContact O-N 3.2Å; F667-K671 WeakPolarHBondContact O-CB 3.38Å; F667-K671 PolarHBondContact O-N 2.82Å; F667-D704 HydrophobicContact CE2-CB 4.05Å; F667-D704 HydrophobicContact CZ-CB 3.97Å; F667-C705 VanDerWaalsContact CD2-SG 3.59Å; F667-L708 HydrophobicContact CD2-CD1 4.22Å; F667-L708 HydrophobicContact CE2-CD1 3.54Å; F667-L708 HydrophobicContact CZ-CD1 3.75Å |
| 668 | N | 93.7 | Very high | 91.4 | Very high | 85 Ų | 85 | 52.6 Ų | 52.6 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 174.6 | -70.6 | -23.1 | 0 | 0 | 0 | 111.9 | T664 P665 L666 K671 A672 | T664-N668 PolarHBondContact O-N 3.04Å; T664-N668 VanDerWaalsContact O-N 3.11Å; T664-N668 PolarHBondContact O-ND2 2.9Å; P665-N668 PolarHBondContact O-N 2.94Å; L666-N668 VanDerWaalsContact C-N 3.32Å; L666-N668 PolarHBondContact O-N 3.48Å; N668-K671 PolarHBondContact O-N 3.01Å; N668-A672 PolarHBondContact O-N 2.8Å |
| 669 | Q | 93 | Very high | 91.5 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.028 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 175.1 | -68.2 | -62.2 | -6.7 | 0 | 0 | 112.3 | I628 P665 L666 F667 K671 A672 A683 | I628-Q669 HydrophobicContact CG2-CG 3.6Å; I628-Q669 PolarHBondContact O-NE2 2.99Å; P665-Q669 WeakPolarHBondContact O-CG 3.49Å; P665-Q669 PolarHBondContact O-N 3.34Å; P665-Q669 VanDerWaalsContact O-N 3.07Å; L666-Q669 PolarHBondContact O-N 3.24Å; F667-Q669 PolarHBondContact O-N 2.91Å; Q669-K671 VanDerWaalsContact C-N 3.31Å; Q669-K671 PolarHBondContact O-N 3.15Å; Q669-A672 PolarHBondContact O-N 3.42Å; Q669-A683 HydrophobicContact CB-CB 4.04Å |
| 670 | L | 93 | Very high | 91.6 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 175.6 | -176 | 67.7 | 0 | 0 | 0 | 112.3 | L666 F667 I684 T687 L708 R712 | L666-L670 PolarHBondContact O-N 2.91Å; F667-L670 PolarHBondContact O-N 3.2Å; L670-I684 HydrophobicContact CD1-CG1 3.81Å; L670-T687 HydrophobicContact CD2-CG2 3.89Å; L670-L708 HydrophobicContact CD2-CB 3.91Å; L670-L708 HydrophobicContact CD2-CD1 4.02Å; L670-L708 HydrophobicContact CG-CB 4.15Å; L670-L708 HydrophobicContact CG-CD1 4.21Å; L670-R712 PolarHBondContact O-NH2 3Å |
| 671 | K | 93.1 | Very high | 91.6 | Very high | 133 Ų | 133 | 52.7 Ų | 52.7 | 58% | 0.578 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -74.2 | -30.4 | 179.1 | -172 | 176.7 | 178.9 | 179.8 | 0 | 112.8 | F667 N668 Q669 T673 L708 | F667-K671 WeakPolarHBondContact O-CB 3.38Å; F667-K671 PolarHBondContact O-N 2.82Å; N668-K671 PolarHBondContact O-N 3.01Å; Q669-K671 VanDerWaalsContact C-N 3.31Å; Q669-K671 PolarHBondContact O-N 3.15Å; K671-T673 PolarHBondContact O-N 2.87Å; K671-L708 HydrophobicContact CB-CD1 4.32Å |
| 672 | A | 90.9 | Very high | 91.4 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 13% | 0.132 | 26% | 0.259 | C | S | . | . | trans | -64 | 131.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N668 Q669 R675 R712 | N668-A672 PolarHBondContact O-N 2.8Å; Q669-A672 PolarHBondContact O-N 3.42Å; A672-R675 HydrophobicContact CB-CG 3.65Å; A672-R712 PolarHBondContact O-NH2 3.47Å | ||
| 673 | T | 86.6 | Confident | 91.5 | Very high | 105 Ų | 105 | 51.3 Ų | 51.3 | 64% | 0.644 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -105.8 | -15.4 | -179.7 | 50.7 | 0 | 0 | 0 | 0 | 113.3 | K671 K680 | K671-T673 PolarHBondContact O-N 2.87Å; T673-K680 VanDerWaalsContact O-CE 3.22Å; T673-K680 WeakPolarHBondContact O-CE 3.44Å; T673-K680 PolarHBondContact O-NZ 3.33Å |
| 674 | D | 87.3 | Confident | 91.4 | Very high | 138 Ų | 138 | 51.2 Ų | 51.2 | 74% | 0.738 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -99.9 | 12 | -173.4 | 62.4 | -29.3 | 0 | 0 | 0 | 113.9 | ||
| 675 | R | 88.6 | Confident | 91.2 | Very high | 91 Ų | 91 | 49.9 Ų | 49.9 | 34% | 0.343 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -92.4 | 167.3 | 178.4 | -60 | -64.4 | 179.6 | 121.9 | -1.9 | 113.4 | A672 L679 K680 | A672-R675 HydrophobicContact CB-CG 3.65Å; R675-L679 HydrophobicContact CB-CD2 4.24Å; R675-L679 HydrophobicContact CG-CD2 4.37Å; R675-K680 HydrophobicContact CB-CG 4.41Å; R675-K680 WeakPolarHBondContact O-CE 3.13Å; R675-K680 PolarHBondContact O-NZ 3.46Å |
| 676 | D | 92 | Very high | 90.9 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 32% | 0.321 | 25% | 0.248 | S | C | . | . | trans | -56.6 | 148.5 | 171.1 | -166.5 | -85 | 0 | 0 | 0 | 111.9 | Y633 E678 L679 K680 | Y633-D676 HydrophobicContact CD2-CB 4.03Å; Y633-D676 HydrophobicContact CE2-CB 4.45Å; Y633-D676 HydrophobicContact CG-CB 4.27Å; D676-E678 VanDerWaalsContact C-N 3.35Å; D676-E678 VanDerWaalsContact OD1-CB 3.3Å; D676-E678 WeakPolarHBondContact OD1-CB 3.04Å; D676-E678 PolarHBondContact OD1-N 3.33Å; D676-L679 HydrophobicContact CB-CB 4.48Å; D676-L679 PolarHBondContact O-N 2.68Å; D676-K680 WeakPolarHBondContact O-CG 3.45Å; D676-K680 PolarHBondContact O-N 3.11Å; D676-K680 VanDerWaalsContact O-N 3.16Å | ||
| 677 | L | 89.7 | Confident | 90.8 | Very high | 71 Ų | 71 | 49.7 Ų | 49.7 | 37% | 0.372 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.7 | -40.7 | -178.7 | 180 | 61.8 | 0 | 0 | 0 | 111.6 | L679 K680 E681 L717 T718 | L677-L679 VanDerWaalsContact C-N 3.31Å; L677-L679 PolarHBondContact O-N 3.31Å; L677-K680 WeakPolarHBondContact O-CB 3.32Å; L677-K680 PolarHBondContact O-N 2.92Å; L677-K680 VanDerWaalsContact O-N 3.15Å; L677-E681 HydrophobicContact CD1-CG 4.28Å; L677-E681 HydrophobicContact CG-CG 4.5Å; L677-E681 PolarHBondContact O-N 2.99Å; L677-L717 HydrophobicContact CD1-CB 4.11Å; L677-T718 HydrophobicContact CD1-CG2 4.29Å |
| 678 | E | 88 | Confident | 90.5 | Very high | 106 Ų | 106 | 48.1 Ų | 48.1 | 50% | 0.495 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.3 | -44.2 | -180 | -170 | 179.1 | -169.7 | 0 | 0 | 110.6 | L637 D676 K680 E681 K682 | L637-E678 HydrophobicContact CD1-CB 4.46Å; L637-E678 VanDerWaalsContact CD1-CD 3.46Å; L637-E678 HydrophobicContact CD1-CG 3.84Å; L637-E678 HydrophobicContact CD2-CG 4.1Å; D676-E678 VanDerWaalsContact C-N 3.35Å; D676-E678 VanDerWaalsContact OD1-CB 3.3Å; D676-E678 WeakPolarHBondContact OD1-CB 3.04Å; D676-E678 PolarHBondContact OD1-N 3.33Å; E678-K680 PolarHBondContact O-N 3.45Å; E678-E681 PolarHBondContact O-N 3.35Å; E678-K682 WeakPolarHBondContact O-CB 3.3Å; E678-K682 PolarHBondContact O-N 3.49Å |
| 679 | L | 91.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.9 | -38.3 | 177.2 | -173.5 | 62.8 | 0 | 0 | 0 | 112.2 | A636 L637 L640 R675 D676 L677 A683 | A636-L679 HydrophobicContact CB-CD1 3.92Å; A636-L679 HydrophobicContact CB-CD2 4.25Å; L637-L679 HydrophobicContact CD2-CB 4.3Å; L637-L679 HydrophobicContact CD2-CD1 3.92Å; L637-L679 HydrophobicContact CG-CD1 4.17Å; L640-L679 HydrophobicContact CD1-CD1 3.58Å; R675-L679 HydrophobicContact CB-CD2 4.24Å; R675-L679 HydrophobicContact CG-CD2 4.37Å; D676-L679 HydrophobicContact CB-CB 4.48Å; D676-L679 PolarHBondContact O-N 2.68Å; L677-L679 VanDerWaalsContact C-N 3.31Å; L677-L679 PolarHBondContact O-N 3.31Å; L679-A683 VanDerWaalsContact O-CB 3.29Å; L679-A683 WeakPolarHBondContact O-CB 3.44Å; L679-A683 PolarHBondContact O-N 2.87Å |
| 680 | K | 92.3 | Very high | 90 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 16% | 0.161 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.4 | -46.3 | 177 | -73.4 | 164.8 | 176.5 | 158.8 | 0 | 111.9 | T673 R675 D676 L677 E678 K682 A683 I684 T718 | T673-K680 VanDerWaalsContact O-CE 3.22Å; T673-K680 WeakPolarHBondContact O-CE 3.44Å; T673-K680 PolarHBondContact O-NZ 3.33Å; R675-K680 HydrophobicContact CB-CG 4.41Å; R675-K680 WeakPolarHBondContact O-CE 3.13Å; R675-K680 PolarHBondContact O-NZ 3.46Å; D676-K680 WeakPolarHBondContact O-CG 3.45Å; D676-K680 PolarHBondContact O-N 3.11Å; D676-K680 VanDerWaalsContact O-N 3.16Å; L677-K680 WeakPolarHBondContact O-CB 3.32Å; L677-K680 PolarHBondContact O-N 2.92Å; L677-K680 VanDerWaalsContact O-N 3.15Å; E678-K680 PolarHBondContact O-N 3.45Å; K680-K682 VanDerWaalsContact C-N 3.34Å; K680-A683 PolarHBondContact O-N 2.81Å; K680-I684 WeakPolarHBondContact O-CD1 3.43Å; K680-I684 VanDerWaalsContact O-CG1 3.25Å; K680-I684 WeakPolarHBondContact O-CG1 3.36Å; K680-I684 PolarHBondContact O-N 3.31Å; K680-T718 HydrophobicContact CB-CG2 4.49Å |
| 681 | E | 90.5 | Very high | 89.8 | Confident | 71 Ų | 71 | 44.6 Ų | 44.6 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 178.6 | -69.4 | -172.8 | 165.9 | 0 | 0 | 111.8 | L677 E678 I684 T685 A721 | L677-E681 HydrophobicContact CD1-CG 4.28Å; L677-E681 HydrophobicContact CG-CG 4.5Å; L677-E681 PolarHBondContact O-N 2.99Å; E678-E681 PolarHBondContact O-N 3.35Å; E681-I684 PolarHBondContact O-N 2.92Å; E681-T685 PolarHBondContact O-N 3.5Å; E681-T685 PolarHBondContact O-OG1 2.89Å; E681-A721 HydrophobicContact CB-CB 4.12Å; E681-A721 HydrophobicContact CG-CB 4.12Å |
| 682 | K | 87.5 | Confident | 89.4 | Confident | 46 Ų | 46 | 38.6 Ų | 38.6 | 20% | 0.2 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 174.7 | -168 | 65.6 | 168.8 | -177.7 | 0 | 111.3 | L637 L640 D641 E678 K680 I684 T685 V686 | L637-K682 HydrophobicContact CD2-CB 3.77Å; L637-K682 HydrophobicContact CD2-CG 4.03Å; L640-K682 HydrophobicContact CB-CG 3.85Å; L640-K682 HydrophobicContact CD1-CB 3.95Å; L640-K682 HydrophobicContact CD1-CG 3.75Å; L640-K682 HydrophobicContact CG-CG 4.49Å; D641-K682 VanDerWaalsContact CG-CE 3.41Å; D641-K682 VanDerWaalsContact CG-NZ 3.33Å; D641-K682 WeakPolarHBondContact OD1-CE 3.5Å; D641-K682 IonicContact OD1-NZ 3.48Å; D641-K682 PolarHBondContact OD1-NZ 3.24Å; D641-K682 VanDerWaalsContact OD2-CE 3.23Å; D641-K682 WeakPolarHBondContact OD2-CE 3.38Å; D641-K682 IonicContact OD2-NZ 2.83Å; D641-K682 PolarHBondContact OD2-NZ 3.41Å; E678-K682 WeakPolarHBondContact O-CB 3.3Å; E678-K682 PolarHBondContact O-N 3.49Å; K680-K682 VanDerWaalsContact C-N 3.34Å; K682-I684 VanDerWaalsContact C-N 3.3Å; K682-I684 PolarHBondContact O-N 2.82Å; K682-T685 PolarHBondContact O-N 2.94Å; K682-T685 VanDerWaalsContact O-N 3.13Å; K682-V686 HydrophobicContact CD-CG2 4.35Å; K682-V686 HydrophobicContact CG-CG2 4.3Å; K682-V686 WeakPolarHBondContact O-CG2 3.44Å; K682-V686 PolarHBondContact O-N 3.47Å |
| 683 | A | 94.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.2 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L640 Q669 L679 K680 T687 | L640-A683 HydrophobicContact CD1-CB 4.16Å; Q669-A683 HydrophobicContact CB-CB 4.04Å; L679-A683 VanDerWaalsContact O-CB 3.29Å; L679-A683 WeakPolarHBondContact O-CB 3.44Å; L679-A683 PolarHBondContact O-N 2.87Å; K680-A683 PolarHBondContact O-N 2.81Å; A683-T687 VanDerWaalsContact O-CB 3.32Å; A683-T687 WeakPolarHBondContact O-CB 3.46Å; A683-T687 PolarHBondContact O-N 2.7Å; A683-T687 PolarHBondContact O-OG1 3.5Å |
| 684 | I | 92.3 | Very high | 89 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -47.4 | 174.7 | -68.3 | 162.1 | 0 | 0 | 0 | 110.9 | L670 K680 E681 K682 T687 A688 R712 T718 A721 A725 | L670-I684 HydrophobicContact CD1-CG1 3.81Å; K680-I684 WeakPolarHBondContact O-CD1 3.43Å; K680-I684 VanDerWaalsContact O-CG1 3.25Å; K680-I684 WeakPolarHBondContact O-CG1 3.36Å; K680-I684 PolarHBondContact O-N 3.31Å; E681-I684 PolarHBondContact O-N 2.92Å; K682-I684 VanDerWaalsContact C-N 3.3Å; K682-I684 PolarHBondContact O-N 2.82Å; I684-T687 PolarHBondContact O-N 3.48Å; I684-A688 PolarHBondContact O-N 3.32Å; I684-A688 VanDerWaalsContact O-N 3.09Å; I684-R712 HydrophobicContact CD1-CB 3.85Å; I684-R712 HydrophobicContact CD1-CG 3.79Å; I684-R712 HydrophobicContact CG1-CB 4.4Å; I684-R712 HydrophobicContact CG1-CG 4.06Å; I684-T718 HydrophobicContact CD1-CG2 4.04Å; I684-A721 HydrophobicContact CB-CB 4.28Å; I684-A721 HydrophobicContact CD1-CB 4.21Å; I684-A721 HydrophobicContact CG2-CB 4.05Å; I684-A725 HydrophobicContact CG2-CB 3.66Å |
| 685 | T | 88 | Confident | 88.9 | Confident | 39 Ų | 39 | 28.4 Ų | 28.4 | 24% | 0.239 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.3 | -45.8 | -178.4 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | E681 K682 T687 A688 V689 | E681-T685 PolarHBondContact O-N 3.5Å; E681-T685 PolarHBondContact O-OG1 2.89Å; K682-T685 PolarHBondContact O-N 2.94Å; K682-T685 VanDerWaalsContact O-N 3.13Å; T685-T687 VanDerWaalsContact C-N 3.35Å; T685-T687 PolarHBondContact O-N 3.48Å; T685-A688 WeakPolarHBondContact O-CB 3.5Å; T685-A688 PolarHBondContact O-N 2.94Å; T685-A688 VanDerWaalsContact O-N 3.15Å; T685-V689 PolarHBondContact O-N 3.12Å |
| 686 | V | 88.3 | Confident | 88.6 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.6 | -36.8 | 178.3 | 177.4 | 0 | 0 | 0 | 0 | 111.4 | L640 L643 Q644 L666 K682 A688 V689 F690 | L640-V686 HydrophobicContact CB-CG2 4.11Å; L640-V686 HydrophobicContact CD2-CG1 4.42Å; L643-V686 HydrophobicContact CB-CG1 4.26Å; L643-V686 HydrophobicContact CD2-CG1 3.88Å; L643-V686 HydrophobicContact CG-CG1 3.93Å; Q644-V686 HydrophobicContact CB-CG1 4.39Å; Q644-V686 HydrophobicContact CB-CG2 4.04Å; Q644-V686 HydrophobicContact CG-CG2 4.36Å; L666-V686 HydrophobicContact CD1-CB 4.14Å; L666-V686 HydrophobicContact CD1-CG1 3.92Å; L666-V686 HydrophobicContact CD2-CG1 4.34Å; K682-V686 HydrophobicContact CD-CG2 4.35Å; K682-V686 HydrophobicContact CG-CG2 4.3Å; K682-V686 WeakPolarHBondContact O-CG2 3.44Å; K682-V686 PolarHBondContact O-N 3.47Å; V686-A688 VanDerWaalsContact C-N 3.29Å; V686-A688 PolarHBondContact O-N 3.16Å; V686-V689 PolarHBondContact O-N 3.29Å; V686-F690 VanDerWaalsContact O-CB 3.29Å; V686-F690 WeakPolarHBondContact O-CB 3.12Å; V686-F690 PolarHBondContact O-N 3.49Å |
| 687 | T | 92.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -42.5 | 171.5 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | L670 A683 I684 T685 F690 L691 I709 | L670-T687 HydrophobicContact CD2-CG2 3.89Å; A683-T687 VanDerWaalsContact O-CB 3.32Å; A683-T687 WeakPolarHBondContact O-CB 3.46Å; A683-T687 PolarHBondContact O-N 2.7Å; A683-T687 PolarHBondContact O-OG1 3.5Å; I684-T687 PolarHBondContact O-N 3.48Å; T685-T687 VanDerWaalsContact C-N 3.35Å; T685-T687 PolarHBondContact O-N 3.48Å; T687-F690 PolarHBondContact O-N 2.85Å; T687-L691 HydrophobicContact CG2-CD1 4.02Å; T687-L691 HydrophobicContact CG2-CG 4.29Å; T687-L691 WeakPolarHBondContact O-CB 3.23Å; T687-L691 VanDerWaalsContact O-CG 3.3Å; T687-L691 WeakPolarHBondContact O-CG 3.29Å; T687-L691 PolarHBondContact O-N 3.41Å; T687-I709 HydrophobicContact CG2-CD1 4.24Å |
| 688 | A | 87.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I684 T685 V686 L691 S692 A725 I728 I729 | I684-A688 PolarHBondContact O-N 3.32Å; I684-A688 VanDerWaalsContact O-N 3.09Å; T685-A688 WeakPolarHBondContact O-CB 3.5Å; T685-A688 PolarHBondContact O-N 2.94Å; T685-A688 VanDerWaalsContact O-N 3.15Å; V686-A688 VanDerWaalsContact C-N 3.29Å; V686-A688 PolarHBondContact O-N 3.16Å; A688-L691 PolarHBondContact O-N 2.91Å; A688-S692 VanDerWaalsContact O-CB 3.31Å; A688-S692 WeakPolarHBondContact O-CB 3.44Å; A688-S692 PolarHBondContact O-N 2.99Å; A688-S692 PolarHBondContact O-OG 2.81Å; A688-S692 VanDerWaalsContact O-OG 3.07Å; A688-A725 VanDerWaalsContact CB-CA 3.4Å; A688-A725 HydrophobicContact CB-CB 3.52Å; A688-I728 HydrophobicContact CB-CB 3.97Å; A688-I728 HydrophobicContact CB-CD1 4.18Å; A688-I728 HydrophobicContact CB-CG2 3.99Å; A688-I729 HydrophobicContact CB-CD1 4.3Å; A688-I729 HydrophobicContact CB-CG1 4.13Å |
| 689 | V | 86 | Confident | 87.2 | Confident | 18 Ų | 18 | 26.8 Ų | 26.8 | 11% | 0.109 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 175.6 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | Q644 T648 T685 V686 L691 S692 Q693 I728 | Q644-V689 HydrophobicContact CG-CB 4.15Å; Q644-V689 HydrophobicContact CG-CG1 3.95Å; Q644-V689 HydrophobicContact CG-CG2 4.13Å; T648-V689 HydrophobicContact CG2-CG1 4.32Å; T685-V689 PolarHBondContact O-N 3.12Å; V686-V689 PolarHBondContact O-N 3.29Å; V689-L691 PolarHBondContact O-N 3.5Å; V689-S692 WeakPolarHBondContact CA-OG 3.39Å; V689-S692 PolarHBondContact O-N 2.74Å; V689-S692 PolarHBondContact O-OG 2.81Å; V689-Q693 HydrophobicContact CG1-CG 4.27Å; V689-Q693 WeakPolarHBondContact O-CB 3.37Å; V689-Q693 WeakPolarHBondContact O-CG 3.45Å; V689-Q693 PolarHBondContact O-N 3.23Å; V689-I728 HydrophobicContact CG2-CD1 4.47Å |
| 690 | F | 90.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.4 | -53.6 | 176.7 | -171.4 | -71.7 | 0 | 0 | 0 | 111.3 | L643 C647 L662 F663 L666 V686 T687 S692 Q693 I694 G695 V698 | L643-F690 HydrophobicContact CD1-CD2 4.44Å; C647-F690 WeakPolarHBondContact SG-CD2 3.45Å; L662-F690 HydrophobicContact CB-CE2 4.21Å; F663-F690 HydrophobicContact CB-CE1 4.22Å; F663-F690 HydrophobicContact CB-CE2 4.33Å; F663-F690 HydrophobicContact CB-CZ 3.8Å; F663-F690 HydrophobicContact CD2-CD1 4.11Å; F663-F690 AromaticContact CD2-CE1 3.8Å; F663-F690 HydrophobicContact CD2-CE1 3.8Å; F663-F690 HydrophobicContact CD2-CZ 4.19Å; F663-F690 HydrophobicContact CG-CE1 4.44Å; F663-F690 HydrophobicContact CG-CZ 4.48Å; L666-F690 HydrophobicContact CD2-CB 3.87Å; L666-F690 HydrophobicContact CD2-CD2 3.89Å; L666-F690 HydrophobicContact CD2-CG 3.94Å; V686-F690 VanDerWaalsContact O-CB 3.29Å; V686-F690 WeakPolarHBondContact O-CB 3.12Å; V686-F690 PolarHBondContact O-N 3.49Å; T687-F690 PolarHBondContact O-N 2.85Å; F690-S692 VanDerWaalsContact C-N 3.33Å; F690-S692 PolarHBondContact O-N 3.45Å; F690-Q693 PolarHBondContact O-N 2.99Å; F690-I694 HydrophobicContact CD1-CD1 4.47Å; F690-I694 HydrophobicContact CD1-CG1 4.09Å; F690-I694 HydrophobicContact CD2-CD1 4.04Å; F690-I694 HydrophobicContact CD2-CG1 4.41Å; F690-I694 HydrophobicContact CE1-CD1 4.12Å; F690-I694 HydrophobicContact CE1-CG1 3.97Å; F690-I694 HydrophobicContact CE2-CD1 3.65Å; F690-I694 HydrophobicContact CE2-CG1 4.3Å; F690-I694 HydrophobicContact CG-CD1 4.4Å; F690-I694 HydrophobicContact CG-CG1 4.27Å; F690-I694 HydrophobicContact CZ-CD1 3.67Å; F690-I694 HydrophobicContact CZ-CG1 4.06Å; F690-I694 CarbonylContact O-C 3.49Å; F690-I694 VanDerWaalsContact O-CG1 3.29Å; F690-I694 WeakPolarHBondContact O-CG1 3.44Å; F690-I694 PolarHBondContact O-N 3.36Å; F690-G695 PolarHBondContact O-N 3.36Å; F690-V698 HydrophobicContact CE1-CG2 3.65Å; F690-V698 HydrophobicContact CZ-CG2 3.99Å |
| 691 | L | 88.8 | Confident | 86.2 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -40.7 | -179.8 | -69.6 | 177.1 | 0 | 0 | 0 | 111.8 | T687 A688 V689 Q693 G695 I702 C705 I709 I729 | T687-L691 HydrophobicContact CG2-CD1 4.02Å; T687-L691 HydrophobicContact CG2-CG 4.29Å; T687-L691 WeakPolarHBondContact O-CB 3.23Å; T687-L691 VanDerWaalsContact O-CG 3.3Å; T687-L691 WeakPolarHBondContact O-CG 3.29Å; T687-L691 PolarHBondContact O-N 3.41Å; A688-L691 PolarHBondContact O-N 2.91Å; V689-L691 PolarHBondContact O-N 3.5Å; L691-Q693 PolarHBondContact O-N 3.5Å; L691-G695 VanDerWaalsContact O-CA 3.26Å; L691-G695 WeakPolarHBondContact O-CA 3.49Å; L691-G695 PolarHBondContact O-N 3.38Å; L691-I702 HydrophobicContact CD2-CG1 4.41Å; L691-C705 HydrophobicContact CD1-CB 4.18Å; L691-I709 HydrophobicContact CD1-CD1 4.19Å; L691-I729 HydrophobicContact CB-CG1 4.25Å; L691-I729 HydrophobicContact CD1-CD1 3.88Å; L691-I729 HydrophobicContact CD1-CG1 4.39Å |
| 692 | S | 84.6 | Confident | 86 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.4 | -27 | -178.5 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | A688 V689 F690 I728 S732 L734 | A688-S692 VanDerWaalsContact O-CB 3.31Å; A688-S692 WeakPolarHBondContact O-CB 3.44Å; A688-S692 PolarHBondContact O-N 2.99Å; A688-S692 PolarHBondContact O-OG 2.81Å; A688-S692 VanDerWaalsContact O-OG 3.07Å; V689-S692 WeakPolarHBondContact CA-OG 3.39Å; V689-S692 PolarHBondContact O-N 2.74Å; V689-S692 PolarHBondContact O-OG 2.81Å; F690-S692 VanDerWaalsContact C-N 3.33Å; F690-S692 PolarHBondContact O-N 3.45Å; S692-I728 WeakPolarHBondContact OG-CG2 3.48Å; S692-S732 WeakPolarHBondContact CA-OG 3.26Å; S692-S732 PolarHBondContact O-OG 3.1Å; S692-L734 WeakPolarHBondContact O-CD1 3.47Å |
| 693 | Q | 84.3 | Confident | 86 | Confident | 45 Ų | 45 | 30.2 Ų | 30.2 | 21% | 0.21 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -97.9 | -42.1 | -177 | -66.4 | -63.7 | -13 | 0 | 0 | 113.3 | T648 K651 V689 F690 L691 | T648-Q693 HydrophobicContact CG2-CG 4.27Å; K651-Q693 WeakPolarHBondContact CE-O 3.44Å; K651-Q693 PolarHBondContact NZ-O 2.84Å; V689-Q693 HydrophobicContact CG1-CG 4.27Å; V689-Q693 WeakPolarHBondContact O-CB 3.37Å; V689-Q693 WeakPolarHBondContact O-CG 3.45Å; V689-Q693 PolarHBondContact O-N 3.23Å; F690-Q693 PolarHBondContact O-N 2.99Å; L691-Q693 PolarHBondContact O-N 3.5Å |
| 694 | I | 84.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -138.3 | 21.1 | -171.1 | 55.8 | 171.7 | 0 | 0 | 0 | 113.1 | C647 L650 K651 F690 Y696 M697 | C647-I694 HydrophobicContact CB-CD1 4.27Å; L650-I694 HydrophobicContact CB-CD1 4.48Å; L650-I694 HydrophobicContact CD2-CD1 3.55Å; K651-I694 HydrophobicContact CG-CG2 4.26Å; F690-I694 HydrophobicContact CD1-CD1 4.47Å; F690-I694 HydrophobicContact CD1-CG1 4.09Å; F690-I694 HydrophobicContact CD2-CD1 4.04Å; F690-I694 HydrophobicContact CD2-CG1 4.41Å; F690-I694 HydrophobicContact CE1-CD1 4.12Å; F690-I694 HydrophobicContact CE1-CG1 3.97Å; F690-I694 HydrophobicContact CE2-CD1 3.65Å; F690-I694 HydrophobicContact CE2-CG1 4.3Å; F690-I694 HydrophobicContact CG-CD1 4.4Å; F690-I694 HydrophobicContact CG-CG1 4.27Å; F690-I694 HydrophobicContact CZ-CD1 3.67Å; F690-I694 HydrophobicContact CZ-CG1 4.06Å; F690-I694 CarbonylContact O-C 3.49Å; F690-I694 VanDerWaalsContact O-CG1 3.29Å; F690-I694 WeakPolarHBondContact O-CG1 3.44Å; F690-I694 PolarHBondContact O-N 3.36Å; I694-Y696 VanDerWaalsContact C-N 3.33Å; I694-Y696 PolarHBondContact O-N 3.43Å; I694-M697 HydrophobicContact CB-CG 4.34Å; I694-M697 HydrophobicContact CB-SD 3.87Å; I694-M697 HydrophobicContact CG2-SD 4.05Å; I694-M697 WeakPolarHBondContact O-CB 3.41Å; I694-M697 VanDerWaalsContact O-CG 3.29Å; I694-M697 WeakPolarHBondContact O-CG 3.21Å; I694-M697 PolarHBondContact O-N 3.18Å |
| 695 | G | 84.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -60.4 | -34.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F690 L691 M697 V698 I702 | F690-G695 PolarHBondContact O-N 3.36Å; L691-G695 VanDerWaalsContact O-CA 3.26Å; L691-G695 WeakPolarHBondContact O-CA 3.49Å; L691-G695 PolarHBondContact O-N 3.38Å; G695-M697 PolarHBondContact O-N 3.22Å; G695-V698 PolarHBondContact O-N 3.06Å; G695-I702 WeakPolarHBondContact O-CD1 3.3Å |
| 696 | Y | 82.1 | Confident | 85.9 | Confident | 96 Ų | 96 | 32.5 Ų | 32.5 | 38% | 0.376 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -58.6 | -18.2 | 179 | 68.7 | -85 | 0 | 0 | 0 | 113.8 | K651 I694 V698 L734 | K651-Y696 VanDerWaalsContact CE-OH 3.29Å; K651-Y696 WeakPolarHBondContact CE-OH 3.37Å; I694-Y696 VanDerWaalsContact C-N 3.33Å; I694-Y696 PolarHBondContact O-N 3.43Å; Y696-V698 VanDerWaalsContact C-N 3.29Å; Y696-L734 HydrophobicContact CD1-CD1 3.8Å; Y696-L734 HydrophobicContact CD1-CD2 3.73Å; Y696-L734 HydrophobicContact CD1-CG 4.39Å; Y696-L734 HydrophobicContact CE1-CD1 4.42Å; Y696-L734 HydrophobicContact CE1-CD2 4.02Å |
| 697 | M | 83.2 | Confident | 86.1 | Confident | 46 Ų | 46 | 36.5 Ų | 36.5 | 23% | 0.227 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -81.8 | -11.6 | -178.5 | -47.5 | -170.9 | 79.4 | 0 | 0 | 112.8 | E656 A659 I694 G695 | E656-M697 HydrophobicContact CB-CE 3.26Å; E656-M697 HydrophobicContact CG-CE 3.59Å; E656-M697 WeakPolarHBondContact O-CE 3.18Å; A659-M697 HydrophobicContact CB-CB 3.68Å; A659-M697 HydrophobicContact CB-CE 4.37Å; A659-M697 HydrophobicContact CB-CG 4.44Å; A659-M697 HydrophobicContact CB-SD 3.99Å; I694-M697 HydrophobicContact CB-CG 4.34Å; I694-M697 HydrophobicContact CB-SD 3.87Å; I694-M697 HydrophobicContact CG2-SD 4.05Å; I694-M697 WeakPolarHBondContact O-CB 3.41Å; I694-M697 VanDerWaalsContact O-CG 3.29Å; I694-M697 WeakPolarHBondContact O-CG 3.21Å; I694-M697 PolarHBondContact O-N 3.18Å; G695-M697 PolarHBondContact O-N 3.22Å |
| 698 | V | 83.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -128.8 | 37.3 | -174.5 | -161.9 | 0 | 0 | 0 | 0 | 110.1 | A659 F663 F690 G695 Y696 S700 N701 | A659-V698 HydrophobicContact CB-CG2 4.34Å; F663-V698 HydrophobicContact CB-CG1 4.15Å; F663-V698 HydrophobicContact CB-CG2 4.19Å; F663-V698 HydrophobicContact CD1-CG1 3.44Å; F663-V698 VanDerWaalsContact CD1-CG1 3.44Å; F663-V698 HydrophobicContact CD2-CB 4.49Å; F663-V698 HydrophobicContact CD2-CG1 3.96Å; F663-V698 HydrophobicContact CD2-CG2 4.4Å; F663-V698 HydrophobicContact CE1-CG1 3.71Å; F663-V698 HydrophobicContact CE2-CG1 4.18Å; F663-V698 HydrophobicContact CG-CB 4.42Å; F663-V698 HydrophobicContact CG-CG1 3.56Å; F663-V698 HydrophobicContact CG-CG2 4.25Å; F663-V698 HydrophobicContact CZ-CG1 4.05Å; F690-V698 HydrophobicContact CE1-CG2 3.65Å; F690-V698 HydrophobicContact CZ-CG2 3.99Å; G695-V698 PolarHBondContact O-N 3.06Å; Y696-V698 VanDerWaalsContact C-N 3.29Å; V698-S700 VanDerWaalsContact C-N 3.25Å; V698-S700 PolarHBondContact O-N 3.47Å; V698-S700 VanDerWaalsContact O-N 3.12Å; V698-N701 HydrophobicContact CG1-CB 4Å; V698-N701 PolarHBondContact O-N 3.2Å |
| 699 | E | 75.1 | Confident | 86.4 | Confident | 151 Ų | 151 | 37.3 Ų | 37.3 | 71% | 0.706 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -54.9 | -36.4 | -167.5 | -162.9 | 175.2 | -174.9 | 0 | 0 | 113.8 | N701 I702 | E699-N701 PolarHBondContact O-N 3.48Å; E699-N701 VanDerWaalsContact O-N 3.15Å; E699-I702 HydrophobicContact CB-CD1 4.38Å; E699-I702 HydrophobicContact CG-CD1 4.26Å; E699-I702 PolarHBondContact O-N 3.09Å |
| 700 | S | 78.5 | Confident | 86.8 | Confident | 94 Ų | 94 | 40.4 Ų | 40.4 | 66% | 0.657 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -60.3 | -25.4 | 179.1 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | V698 | V698-S700 VanDerWaalsContact C-N 3.25Å; V698-S700 PolarHBondContact O-N 3.47Å; V698-S700 VanDerWaalsContact O-N 3.12Å |
| 701 | N | 83.3 | Confident | 87 | Confident | 35 Ų | 35 | 47.2 Ų | 47.2 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -110.6 | -1.3 | -172.4 | -65.7 | 60.6 | 0 | 0 | 0 | 113 | F663 V698 E699 N703 D704 C705 | F663-N701 HydrophobicContact CD1-CB 4.47Å; F663-N701 HydrophobicContact CE1-CB 3.45Å; F663-N701 VanDerWaalsContact CE1-CB 3.45Å; F663-N701 HydrophobicContact CZ-CB 3.64Å; V698-N701 HydrophobicContact CG1-CB 4Å; V698-N701 PolarHBondContact O-N 3.2Å; E699-N701 PolarHBondContact O-N 3.48Å; E699-N701 VanDerWaalsContact O-N 3.15Å; N701-N703 VanDerWaalsContact C-N 3.35Å; N701-N703 PolarHBondContact O-N 3.42Å; N701-D704 PolarHBondContact O-N 3.07Å; N701-C705 PolarHBondContact O-N 2.62Å; N701-C705 VanDerWaalsContact O-N 3.07Å |
| 702 | I | 85.9 | Confident | 87.2 | Confident | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.087 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | -177.7 | -64.7 | 177.2 | 0 | 0 | 0 | 110.4 | L691 G695 E699 D704 C705 L706 L736 | L691-I702 HydrophobicContact CD2-CG1 4.41Å; G695-I702 WeakPolarHBondContact O-CD1 3.3Å; E699-I702 HydrophobicContact CB-CD1 4.38Å; E699-I702 HydrophobicContact CG-CD1 4.26Å; E699-I702 PolarHBondContact O-N 3.09Å; I702-D704 VanDerWaalsContact C-N 3.35Å; I702-D704 PolarHBondContact O-N 3.09Å; I702-C705 WeakPolarHBondContact O-CB 3.47Å; I702-C705 PolarHBondContact O-N 2.85Å; I702-L706 HydrophobicContact CG2-CD1 3.81Å; I702-L706 HydrophobicContact CG2-CG 4.15Å; I702-L706 VanDerWaalsContact O-CG 3.29Å; I702-L706 WeakPolarHBondContact O-CG 3.47Å; I702-L706 PolarHBondContact O-N 3.24Å; I702-L736 HydrophobicContact CD1-CD2 4.03Å |
| 703 | N | 87.8 | Confident | 87.7 | Confident | 82 Ų | 82 | 47.8 Ų | 47.8 | 44% | 0.439 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.9 | -42.3 | -179 | -68.2 | -45.6 | 0 | 0 | 0 | 112.1 | N701 C705 L706 D707 | N701-N703 VanDerWaalsContact C-N 3.35Å; N701-N703 PolarHBondContact O-N 3.42Å; N703-C705 VanDerWaalsContact C-N 3.33Å; N703-C705 PolarHBondContact O-N 3.04Å; N703-L706 PolarHBondContact O-N 3.33Å; N703-D707 PolarHBondContact O-N 3.26Å |
| 704 | D | 89.8 | Confident | 88.1 | Confident | 83 Ų | 83 | 48.6 Ų | 48.6 | 44% | 0.444 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.2 | -38.4 | 177.1 | -66.9 | -22.2 | 0 | 0 | 0 | 112.1 | F667 N701 I702 L708 | F667-D704 HydrophobicContact CE2-CB 4.05Å; F667-D704 HydrophobicContact CZ-CB 3.97Å; N701-D704 PolarHBondContact O-N 3.07Å; I702-D704 VanDerWaalsContact C-N 3.35Å; I702-D704 PolarHBondContact O-N 3.09Å; D704-L708 WeakPolarHBondContact O-CG 3.38Å; D704-L708 PolarHBondContact O-N 2.77Å |
| 705 | C | 90.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 173.3 | -93.5 | 0 | 0 | 0 | 0 | 111.9 | F663 F667 L691 N701 I702 N703 D707 L708 I709 | F663-C705 WeakPolarHBondContact CE2-SG 3.4Å; F663-C705 WeakPolarHBondContact CZ-SG 3.12Å; F667-C705 VanDerWaalsContact CD2-SG 3.59Å; L691-C705 HydrophobicContact CD1-CB 4.18Å; N701-C705 PolarHBondContact O-N 2.62Å; N701-C705 VanDerWaalsContact O-N 3.07Å; I702-C705 WeakPolarHBondContact O-CB 3.47Å; I702-C705 PolarHBondContact O-N 2.85Å; N703-C705 VanDerWaalsContact C-N 3.33Å; N703-C705 PolarHBondContact O-N 3.04Å; C705-D707 VanDerWaalsContact C-N 3.33Å; C705-D707 PolarHBondContact O-N 3.27Å; C705-L708 PolarHBondContact O-N 2.84Å; C705-I709 WeakPolarHBondContact O-CG1 3.28Å; C705-I709 PolarHBondContact O-N 2.64Å |
| 706 | L | 91.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 178.8 | -68.9 | 178.3 | 0 | 0 | 0 | 110.7 | I702 N703 L708 I709 Y710 I729 L738 F741 | I702-L706 HydrophobicContact CG2-CD1 3.81Å; I702-L706 HydrophobicContact CG2-CG 4.15Å; I702-L706 VanDerWaalsContact O-CG 3.29Å; I702-L706 WeakPolarHBondContact O-CG 3.47Å; I702-L706 PolarHBondContact O-N 3.24Å; N703-L706 PolarHBondContact O-N 3.33Å; L706-L708 VanDerWaalsContact C-N 3.34Å; L706-L708 PolarHBondContact O-N 3.48Å; L706-I709 PolarHBondContact O-N 2.75Å; L706-Y710 PolarHBondContact O-N 3.09Å; L706-I729 HydrophobicContact CD2-CD1 4.44Å; L706-L738 HydrophobicContact CD1-CD2 3.86Å; L706-L738 HydrophobicContact CD2-CD2 4.27Å; L706-F741 HydrophobicContact CB-CB 4.24Å; L706-F741 HydrophobicContact CB-CD2 3.6Å; L706-F741 HydrophobicContact CB-CE2 4.02Å; L706-F741 HydrophobicContact CB-CG 3.89Å; L706-F741 HydrophobicContact CD1-CB 3.88Å; L706-F741 HydrophobicContact CD1-CD1 4.4Å; L706-F741 HydrophobicContact CD1-CG 4.07Å; L706-F741 HydrophobicContact CD2-CD1 3.82Å; L706-F741 HydrophobicContact CD2-CD2 4.29Å; L706-F741 HydrophobicContact CD2-CE1 3.89Å; L706-F741 HydrophobicContact CD2-CE2 4.32Å; L706-F741 HydrophobicContact CD2-CG 4.02Å; L706-F741 HydrophobicContact CD2-CZ 4.13Å; L706-F741 HydrophobicContact CG-CB 4.49Å; L706-F741 HydrophobicContact CG-CD1 4.47Å; L706-F741 HydrophobicContact CG-CD2 4.37Å; L706-F741 HydrophobicContact CG-CG 4.2Å; L706-F741 WeakPolarHBondContact O-CE2 3.44Å |
| 707 | D | 92.7 | Very high | 88.9 | Confident | 84 Ų | 84 | 59 Ų | 59 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 173.6 | -78.7 | -4.5 | 0 | 0 | 0 | 112.4 | N703 C705 Y710 R711 | N703-D707 PolarHBondContact O-N 3.26Å; C705-D707 VanDerWaalsContact C-N 3.33Å; C705-D707 PolarHBondContact O-N 3.27Å; D707-Y710 PolarHBondContact O-N 3.48Å; D707-R711 WeakPolarHBondContact O-CG 3.21Å; D707-R711 PolarHBondContact O-N 3.41Å |
| 708 | L | 93.4 | Very high | 89.3 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 174.5 | -74.8 | 171.1 | 0 | 0 | 0 | 111.9 | F667 L670 K671 D704 C705 L706 Y710 R711 R712 | F667-L708 HydrophobicContact CD2-CD1 4.22Å; F667-L708 HydrophobicContact CE2-CD1 3.54Å; F667-L708 HydrophobicContact CZ-CD1 3.75Å; L670-L708 HydrophobicContact CD2-CB 3.91Å; L670-L708 HydrophobicContact CD2-CD1 4.02Å; L670-L708 HydrophobicContact CG-CB 4.15Å; L670-L708 HydrophobicContact CG-CD1 4.21Å; K671-L708 HydrophobicContact CB-CD1 4.32Å; D704-L708 WeakPolarHBondContact O-CG 3.38Å; D704-L708 PolarHBondContact O-N 2.77Å; C705-L708 PolarHBondContact O-N 2.84Å; L706-L708 VanDerWaalsContact C-N 3.34Å; L706-L708 PolarHBondContact O-N 3.48Å; L708-Y710 VanDerWaalsContact C-N 3.28Å; L708-Y710 PolarHBondContact O-N 2.65Å; L708-R711 WeakPolarHBondContact O-CB 3.32Å; L708-R711 PolarHBondContact O-N 3.24Å; L708-R711 VanDerWaalsContact O-N 3.16Å; L708-R712 WeakPolarHBondContact O-CG 3.4Å; L708-R712 PolarHBondContact O-N 3.31Å |
| 709 | I | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.5 | -40 | 175.6 | -68.8 | 171 | 0 | 0 | 0 | 110.4 | T687 L691 C705 L706 R712 L713 I726 I729 F741 | T687-I709 HydrophobicContact CG2-CD1 4.24Å; L691-I709 HydrophobicContact CD1-CD1 4.19Å; C705-I709 WeakPolarHBondContact O-CG1 3.28Å; C705-I709 PolarHBondContact O-N 2.64Å; L706-I709 PolarHBondContact O-N 2.75Å; I709-R712 CarbonylContact O-C 3.38Å; I709-R712 PolarHBondContact O-N 3.38Å; I709-R712 VanDerWaalsContact O-N 3.16Å; I709-L713 PolarHBondContact O-N 2.99Å; I709-I726 HydrophobicContact CG2-CD1 4.46Å; I709-I726 HydrophobicContact CG2-CG1 3.95Å; I709-I729 HydrophobicContact CD1-CD1 3.54Å; I709-F741 HydrophobicContact CG2-CZ 4.06Å |
| 710 | Y | 94.3 | Very high | 90.3 | Very high | 83 Ų | 83 | 52.1 Ų | 52.1 | 33% | 0.325 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 173.7 | -173.3 | -100.9 | 0 | 0 | 0 | 112 | L706 D707 L708 R712 L713 T714 E748 | L706-Y710 PolarHBondContact O-N 3.09Å; D707-Y710 PolarHBondContact O-N 3.48Å; L708-Y710 VanDerWaalsContact C-N 3.28Å; L708-Y710 PolarHBondContact O-N 2.65Å; Y710-R712 VanDerWaalsContact C-N 3.27Å; Y710-R712 PolarHBondContact O-N 2.82Å; Y710-L713 HydrophobicContact CD2-CD2 4.37Å; Y710-L713 VanDerWaalsContact O-CB 3.26Å; Y710-L713 WeakPolarHBondContact O-CB 3.27Å; Y710-L713 PolarHBondContact O-N 3.11Å; Y710-L713 VanDerWaalsContact O-N 3.08Å; Y710-T714 HydrophobicContact CE1-CG2 4.1Å; Y710-T714 PolarHBondContact O-N 3.43Å; Y710-T714 VanDerWaalsContact O-N 3.1Å; Y710-E748 HydrophobicContact CE2-CB 4.45Å |
| 711 | R | 94 | Very high | 90.7 | Very high | 143 Ų | 143 | 47.8 Ų | 47.8 | 54% | 0.54 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.5 | -38.3 | 173.6 | -68.3 | 178.3 | -166.2 | 113.7 | 3.1 | 111.7 | D707 L708 L713 T714 N715 | D707-R711 WeakPolarHBondContact O-CG 3.21Å; D707-R711 PolarHBondContact O-N 3.41Å; L708-R711 WeakPolarHBondContact O-CB 3.32Å; L708-R711 PolarHBondContact O-N 3.24Å; L708-R711 VanDerWaalsContact O-N 3.16Å; R711-L713 VanDerWaalsContact C-N 3.35Å; R711-T714 PolarHBondContact O-N 2.8Å; R711-T714 PolarHBondContact O-OG1 3.22Å; R711-N715 PolarHBondContact O-N 2.63Å |
| 712 | R | 93.8 | Very high | 91.3 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.9 | -29.1 | 175.2 | -61.8 | -56.6 | 178.8 | 178 | 0.5 | 113.3 | L670 A672 I684 L708 I709 Y710 N715 T718 R719 A722 | L670-R712 PolarHBondContact O-NH2 3Å; A672-R712 PolarHBondContact O-NH2 3.47Å; I684-R712 HydrophobicContact CD1-CB 3.85Å; I684-R712 HydrophobicContact CD1-CG 3.79Å; I684-R712 HydrophobicContact CG1-CB 4.4Å; I684-R712 HydrophobicContact CG1-CG 4.06Å; L708-R712 WeakPolarHBondContact O-CG 3.4Å; L708-R712 PolarHBondContact O-N 3.31Å; I709-R712 CarbonylContact O-C 3.38Å; I709-R712 PolarHBondContact O-N 3.38Å; I709-R712 VanDerWaalsContact O-N 3.16Å; Y710-R712 VanDerWaalsContact C-N 3.27Å; Y710-R712 PolarHBondContact O-N 2.82Å; R712-N715 PolarHBondContact O-N 3.27Å; R712-T718 WeakPolarHBondContact CA-OG1 3.21Å; R712-T718 CarbonylContact O-C 3.59Å; R712-T718 PolarHBondContact O-OG1 2.99Å; R712-R719 PolarHBondContact O-N 3.43Å; R712-A722 HydrophobicContact CB-CB 4.13Å |
| 713 | L | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65 | -44.9 | 173.4 | -173.9 | 70.4 | 0 | 0 | 0 | 111.3 | I709 Y710 R711 N715 R719 A722 V723 I726 E748 L749 F752 | I709-L713 PolarHBondContact O-N 2.99Å; Y710-L713 HydrophobicContact CD2-CD2 4.37Å; Y710-L713 VanDerWaalsContact O-CB 3.26Å; Y710-L713 WeakPolarHBondContact O-CB 3.27Å; Y710-L713 PolarHBondContact O-N 3.11Å; Y710-L713 VanDerWaalsContact O-N 3.08Å; R711-L713 VanDerWaalsContact C-N 3.35Å; L713-N715 VanDerWaalsContact C-N 3.28Å; L713-N715 PolarHBondContact O-N 3.36Å; L713-R719 VanDerWaalsContact O-CB 3.29Å; L713-R719 WeakPolarHBondContact O-CB 3.3Å; L713-A722 HydrophobicContact CB-CB 4.05Å; L713-A722 HydrophobicContact CD1-CB 4.12Å; L713-V723 HydrophobicContact CD1-CG2 3.72Å; L713-I726 HydrophobicContact CD1-CD1 3.81Å; L713-I726 HydrophobicContact CD2-CD1 3.82Å; L713-I726 HydrophobicContact CG-CD1 4.31Å; L713-E748 HydrophobicContact CD2-CB 3.88Å; L713-E748 HydrophobicContact CD2-CG 3.87Å; L713-E748 HydrophobicContact CG-CG 4.11Å; L713-L749 HydrophobicContact CD1-CD2 4.06Å; L713-F752 HydrophobicContact CD1-CE2 3.59Å; L713-F752 HydrophobicContact CD1-CZ 4.11Å; L713-F752 HydrophobicContact CG-CE2 4.05Å; L713-F752 HydrophobicContact CG-CZ 4.07Å; L713-F752 WeakPolarHBondContact O-CZ 3.44Å |
| 714 | T | 92.8 | Very high | 91.5 | Very high | 63 Ų | 63 | 46.3 Ų | 46.3 | 39% | 0.387 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -69.7 | -25.2 | 178.9 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | Y710 R711 E716 E748 | Y710-T714 HydrophobicContact CE1-CG2 4.1Å; Y710-T714 PolarHBondContact O-N 3.43Å; Y710-T714 VanDerWaalsContact O-N 3.1Å; R711-T714 PolarHBondContact O-N 2.8Å; R711-T714 PolarHBondContact O-OG1 3.22Å; T714-E716 PolarHBondContact O-N 3.23Å; T714-E748 HydrophobicContact CG2-CG 4.49Å |
| 715 | N | 91.4 | Very high | 91.4 | Very high | 64 Ų | 64 | 42.3 Ų | 42.3 | 34% | 0.342 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -75.9 | 123 | 178.7 | -176.3 | -25.5 | 0 | 0 | 0 | 112 | R711 R712 L713 L717 T718 R719 | R711-N715 PolarHBondContact O-N 2.63Å; R712-N715 PolarHBondContact O-N 3.27Å; L713-N715 VanDerWaalsContact C-N 3.28Å; L713-N715 PolarHBondContact O-N 3.36Å; N715-L717 VanDerWaalsContact C-N 3.27Å; N715-L717 PolarHBondContact O-N 3.09Å; N715-L717 PolarHBondContact OD1-N 3.16Å; N715-T718 WeakPolarHBondContact CB-OG1 3.37Å; N715-T718 PolarHBondContact O-N 3.46Å; N715-R719 WeakPolarHBondContact O-CB 3.31Å; N715-R719 PolarHBondContact O-N 3.37Å |
| 716 | E | 87.9 | Confident | 91.4 | Very high | 129 Ų | 129 | 42.3 Ų | 42.3 | 60% | 0.603 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -37.8 | 179.8 | -67.7 | -67.8 | 142.8 | 0 | 0 | 114 | T714 R719 K755 | T714-E716 PolarHBondContact O-N 3.23Å; E716-R719 IonicContact OE1-CZ 2.66Å; E716-R719 IonicContact OE1-NH1 3.17Å; E716-R719 PolarHBondContact OE1-NH1 2.81Å; E716-R719 IonicContact OE1-NH2 3.07Å; E716-R719 PolarHBondContact OE1-NH2 3.25Å; E716-R719 IonicContact OE2-CZ 3.36Å; E716-R719 VanDerWaalsContact OE2-CZ 3.28Å; E716-R719 IonicContact OE2-NH1 3.25Å; E716-R719 PolarHBondContact OE2-NH1 3.28Å; E716-R719 IonicContact OE2-NH2 2.7Å; E716-K755 IonicContact OE1-NZ 3.44Å |
| 717 | L | 88.6 | Confident | 91.2 | Very high | 121 Ų | 121 | 43 Ų | 43 | 63% | 0.634 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -31.7 | -176.8 | -67.3 | 174.3 | 0 | 0 | 0 | 113 | L677 N715 | L677-L717 HydrophobicContact CD1-CB 4.11Å; N715-L717 VanDerWaalsContact C-N 3.27Å; N715-L717 PolarHBondContact O-N 3.09Å; N715-L717 PolarHBondContact OD1-N 3.16Å |
| 718 | T | 91.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -2.8 | -172.6 | 55.4 | 0 | 0 | 0 | 0 | 114 | L677 K680 I684 R712 N715 L720 A721 A722 | L677-T718 HydrophobicContact CD1-CG2 4.29Å; K680-T718 HydrophobicContact CB-CG2 4.49Å; I684-T718 HydrophobicContact CD1-CG2 4.04Å; R712-T718 WeakPolarHBondContact CA-OG1 3.21Å; R712-T718 CarbonylContact O-C 3.59Å; R712-T718 PolarHBondContact O-OG1 2.99Å; N715-T718 WeakPolarHBondContact CB-OG1 3.37Å; N715-T718 PolarHBondContact O-N 3.46Å; T718-L720 VanDerWaalsContact C-N 3.3Å; T718-L720 PolarHBondContact O-N 3.15Å; T718-A721 PolarHBondContact O-N 3.5Å; T718-A722 PolarHBondContact O-N 3.02Å |
| 719 | R | 94 | Very high | 90.4 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 5% | 0.053 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.4 | -39 | -172.7 | 60.1 | 169.9 | 40.9 | 140.3 | 10.4 | 113.9 | R712 L713 N715 E716 A721 A722 V723 F752 L760 | R712-R719 PolarHBondContact O-N 3.43Å; L713-R719 VanDerWaalsContact O-CB 3.29Å; L713-R719 WeakPolarHBondContact O-CB 3.3Å; N715-R719 WeakPolarHBondContact O-CB 3.31Å; N715-R719 PolarHBondContact O-N 3.37Å; E716-R719 IonicContact OE1-CZ 2.66Å; E716-R719 IonicContact OE1-NH1 3.17Å; E716-R719 PolarHBondContact OE1-NH1 2.81Å; E716-R719 IonicContact OE1-NH2 3.07Å; E716-R719 PolarHBondContact OE1-NH2 3.25Å; E716-R719 IonicContact OE2-CZ 3.36Å; E716-R719 VanDerWaalsContact OE2-CZ 3.28Å; E716-R719 IonicContact OE2-NH1 3.25Å; E716-R719 PolarHBondContact OE2-NH1 3.28Å; E716-R719 IonicContact OE2-NH2 2.7Å; R719-A721 PolarHBondContact O-N 3.41Å; R719-A722 CarbonylContact O-C 3.59Å; R719-A722 WeakPolarHBondContact O-CA 3.4Å; R719-A722 WeakPolarHBondContact O-CB 3.37Å; R719-A722 PolarHBondContact O-N 3.09Å; R719-A722 VanDerWaalsContact O-N 3.11Å; R719-V723 WeakPolarHBondContact O-CG2 3.37Å; R719-V723 PolarHBondContact O-N 2.61Å; R719-F752 HydrophobicContact CB-CE2 4.3Å; R719-F752 HydrophobicContact CB-CZ 4.37Å; R719-L760 HydrophobicContact CG-CD1 4.21Å |
| 720 | L | 86.6 | Confident | 90 | Very high | 38 Ų | 38 | 39.5 Ų | 39.5 | 20% | 0.199 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.2 | -44.8 | -176.3 | -167.7 | 72.5 | 0 | 0 | 0 | 110.7 | T718 A722 V723 R724 N759 L760 I763 | T718-L720 VanDerWaalsContact C-N 3.3Å; T718-L720 PolarHBondContact O-N 3.15Å; L720-A722 VanDerWaalsContact C-N 3.31Å; L720-V723 PolarHBondContact O-N 3.41Å; L720-R724 PolarHBondContact O-N 3.28Å; L720-N759 WeakPolarHBondContact CD2-ND2 3.44Å; L720-L760 HydrophobicContact CD1-CB 4.39Å; L720-L760 HydrophobicContact CD1-CD1 4.16Å; L720-I763 HydrophobicContact CD1-CD1 3.66Å; L720-I763 HydrophobicContact CG-CD1 4.19Å |
| 721 | A | 86.3 | Confident | 89.5 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E681 I684 T718 R719 R724 A725 | E681-A721 HydrophobicContact CB-CB 4.12Å; E681-A721 HydrophobicContact CG-CB 4.12Å; I684-A721 HydrophobicContact CB-CB 4.28Å; I684-A721 HydrophobicContact CD1-CB 4.21Å; I684-A721 HydrophobicContact CG2-CB 4.05Å; T718-A721 PolarHBondContact O-N 3.5Å; R719-A721 PolarHBondContact O-N 3.41Å; A721-R724 PolarHBondContact O-N 3.32Å; A721-A725 WeakPolarHBondContact O-CB 3.46Å; A721-A725 PolarHBondContact O-N 3.49Å |
| 722 | A | 95 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R712 L713 T718 R719 L720 R724 A725 I726 | R712-A722 HydrophobicContact CB-CB 4.13Å; L713-A722 HydrophobicContact CB-CB 4.05Å; L713-A722 HydrophobicContact CD1-CB 4.12Å; T718-A722 PolarHBondContact O-N 3.02Å; R719-A722 CarbonylContact O-C 3.59Å; R719-A722 WeakPolarHBondContact O-CA 3.4Å; R719-A722 WeakPolarHBondContact O-CB 3.37Å; R719-A722 PolarHBondContact O-N 3.09Å; R719-A722 VanDerWaalsContact O-N 3.11Å; L720-A722 VanDerWaalsContact C-N 3.31Å; A722-R724 PolarHBondContact O-N 2.94Å; A722-A725 WeakPolarHBondContact O-CB 3.39Å; A722-A725 PolarHBondContact O-N 3.12Å; A722-I726 VanDerWaalsContact O-CG1 3.27Å; A722-I726 WeakPolarHBondContact O-CG1 3.49Å; A722-I726 PolarHBondContact O-N 3.39Å |
| 723 | V | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 175.8 | -177.1 | 0 | 0 | 0 | 0 | 110.6 | L713 R719 L720 A725 I726 Q727 L749 F752 L760 I763 C767 | L713-V723 HydrophobicContact CD1-CG2 3.72Å; R719-V723 WeakPolarHBondContact O-CG2 3.37Å; R719-V723 PolarHBondContact O-N 2.61Å; L720-V723 PolarHBondContact O-N 3.41Å; V723-A725 VanDerWaalsContact C-N 3.32Å; V723-A725 PolarHBondContact O-N 3.36Å; V723-I726 PolarHBondContact O-N 2.81Å; V723-Q727 PolarHBondContact O-N 3.4Å; V723-L749 HydrophobicContact CB-CD2 4.28Å; V723-L749 HydrophobicContact CG1-CD2 3.78Å; V723-L749 HydrophobicContact CG2-CD2 3.68Å; V723-F752 HydrophobicContact CG2-CD2 3.97Å; V723-F752 HydrophobicContact CG2-CE2 3.88Å; V723-L760 HydrophobicContact CG2-CD1 4.01Å; V723-I763 HydrophobicContact CB-CG2 4.11Å; V723-I763 HydrophobicContact CG1-CB 4.41Å; V723-I763 HydrophobicContact CG1-CG2 3.64Å; V723-C767 HydrophobicContact CG1-CB 3.82Å |
| 724 | R | 86.6 | Confident | 87.2 | Confident | 103 Ų | 103 | 35.1 Ų | 35.1 | 39% | 0.389 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61 | -42.5 | 175.2 | -69.3 | -178 | -178.2 | 130.4 | -2.1 | 111.5 | L720 A721 A722 I726 Q727 I728 I763 | L720-R724 PolarHBondContact O-N 3.28Å; A721-R724 PolarHBondContact O-N 3.32Å; A722-R724 PolarHBondContact O-N 2.94Å; R724-I726 PolarHBondContact O-N 2.87Å; R724-Q727 WeakPolarHBondContact O-CB 3.39Å; R724-Q727 PolarHBondContact O-N 3.11Å; R724-I728 WeakPolarHBondContact O-CG1 3.44Å; R724-I728 PolarHBondContact O-N 2.65Å; R724-I763 HydrophobicContact CG-CD1 4.28Å; R724-I763 HydrophobicContact CG-CG2 3.76Å |
| 725 | A | 87.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.1 | -46.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I684 A688 A721 A722 V723 Q727 I728 I729 | I684-A725 HydrophobicContact CG2-CB 3.66Å; A688-A725 VanDerWaalsContact CB-CA 3.4Å; A688-A725 HydrophobicContact CB-CB 3.52Å; A721-A725 WeakPolarHBondContact O-CB 3.46Å; A721-A725 PolarHBondContact O-N 3.49Å; A722-A725 WeakPolarHBondContact O-CB 3.39Å; A722-A725 PolarHBondContact O-N 3.12Å; V723-A725 VanDerWaalsContact C-N 3.32Å; V723-A725 PolarHBondContact O-N 3.36Å; A725-Q727 VanDerWaalsContact C-N 3.3Å; A725-Q727 PolarHBondContact O-N 2.99Å; A725-I728 PolarHBondContact O-N 3.39Å; A725-I729 WeakPolarHBondContact O-CD1 3.36Å; A725-I729 VanDerWaalsContact O-CG1 3.24Å; A725-I729 WeakPolarHBondContact O-CG1 3.17Å; A725-I729 PolarHBondContact O-N 3.46Å |
| 726 | I | 91.1 | Very high | 85.4 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 176.3 | -64.6 | 165.7 | 0 | 0 | 0 | 110.7 | I709 L713 A722 V723 R724 I728 I729 A730 F741 L749 C767 I771 | I709-I726 HydrophobicContact CG2-CD1 4.46Å; I709-I726 HydrophobicContact CG2-CG1 3.95Å; L713-I726 HydrophobicContact CD1-CD1 3.81Å; L713-I726 HydrophobicContact CD2-CD1 3.82Å; L713-I726 HydrophobicContact CG-CD1 4.31Å; A722-I726 VanDerWaalsContact O-CG1 3.27Å; A722-I726 WeakPolarHBondContact O-CG1 3.49Å; A722-I726 PolarHBondContact O-N 3.39Å; V723-I726 PolarHBondContact O-N 2.81Å; R724-I726 PolarHBondContact O-N 2.87Å; I726-I728 PolarHBondContact O-N 3.47Å; I726-I729 PolarHBondContact O-N 3.11Å; I726-A730 VanDerWaalsContact O-CB 3.27Å; I726-A730 WeakPolarHBondContact O-CB 3.5Å; I726-A730 PolarHBondContact O-N 3.42Å; I726-F741 HydrophobicContact CD1-CZ 4.18Å; I726-F741 HydrophobicContact CG1-CE1 4.13Å; I726-F741 HydrophobicContact CG1-CZ 3.91Å; I726-F741 HydrophobicContact CG2-CE1 4.42Å; I726-L749 HydrophobicContact CG2-CD1 4.44Å; I726-C767 VanDerWaalsContact CG2-SG 3.59Å; I726-I771 HydrophobicContact CG2-CD1 4.12Å |
| 727 | Q | 87.1 | Confident | 84.9 | Confident | 18 Ų | 18 | 38.3 Ų | 38.3 | 8% | 0.084 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 176.9 | -173.5 | -173.9 | 0.8 | 0 | 0 | 111.9 | V723 R724 A725 S731 C767 F1242 V1244 | V723-Q727 PolarHBondContact O-N 3.4Å; R724-Q727 WeakPolarHBondContact O-CB 3.39Å; R724-Q727 PolarHBondContact O-N 3.11Å; A725-Q727 VanDerWaalsContact C-N 3.3Å; A725-Q727 PolarHBondContact O-N 2.99Å; Q727-S731 WeakPolarHBondContact O-CB 3.29Å; Q727-S731 PolarHBondContact O-N 3.13Å; Q727-S731 PolarHBondContact O-OG 3.1Å; Q727-C767 HydrophobicContact CB-CB 4.04Å; Q727-F1242 PolarHBondContact NE2-O 3.06Å; Q727-V1244 HydrophobicContact CG-CG2 4.35Å |
| 728 | I | 82.4 | Confident | 84.7 | Confident | 26 Ų | 26 | 32.8 Ų | 32.8 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 177.2 | -68.5 | 165.3 | 0 | 0 | 0 | 110.4 | A688 V689 S692 R724 A725 I726 S731 S732 V1244 | A688-I728 HydrophobicContact CB-CB 3.97Å; A688-I728 HydrophobicContact CB-CD1 4.18Å; A688-I728 HydrophobicContact CB-CG2 3.99Å; V689-I728 HydrophobicContact CG2-CD1 4.47Å; S692-I728 WeakPolarHBondContact OG-CG2 3.48Å; R724-I728 WeakPolarHBondContact O-CG1 3.44Å; R724-I728 PolarHBondContact O-N 2.65Å; A725-I728 PolarHBondContact O-N 3.39Å; I726-I728 PolarHBondContact O-N 3.47Å; I728-S731 CarbonylContact O-C 3.55Å; I728-S731 PolarHBondContact O-N 3.36Å; I728-S732 PolarHBondContact O-N 3.5Å; I728-S732 VanDerWaalsContact O-N 3.14Å; I728-V1244 HydrophobicContact CG1-CG1 4.37Å; I728-V1244 HydrophobicContact CG1-CG2 3.95Å |
| 729 | I | 87.6 | Confident | 84.2 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -47.1 | 179.3 | -65.8 | 163.5 | 0 | 0 | 0 | 110.7 | A688 L691 L706 I709 A725 I726 S731 S732 L736 L738 | A688-I729 HydrophobicContact CB-CD1 4.3Å; A688-I729 HydrophobicContact CB-CG1 4.13Å; L691-I729 HydrophobicContact CB-CG1 4.25Å; L691-I729 HydrophobicContact CD1-CD1 3.88Å; L691-I729 HydrophobicContact CD1-CG1 4.39Å; L706-I729 HydrophobicContact CD2-CD1 4.44Å; I709-I729 HydrophobicContact CD1-CD1 3.54Å; A725-I729 WeakPolarHBondContact O-CD1 3.36Å; A725-I729 VanDerWaalsContact O-CG1 3.24Å; A725-I729 WeakPolarHBondContact O-CG1 3.17Å; A725-I729 PolarHBondContact O-N 3.46Å; I726-I729 PolarHBondContact O-N 3.11Å; I729-S731 VanDerWaalsContact C-N 3.27Å; I729-S731 PolarHBondContact O-N 3.39Å; I729-S732 WeakPolarHBondContact O-CB 3.35Å; I729-S732 PolarHBondContact O-N 3.35Å; I729-L736 HydrophobicContact CG2-CD1 4.18Å; I729-L738 HydrophobicContact CG2-CD1 4.15Å; I729-L738 HydrophobicContact CG2-CD2 4.04Å |
| 730 | A | 85.6 | Confident | 83.7 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.3 | -33.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | I726 S732 T770 I771 K774 | I726-A730 VanDerWaalsContact O-CB 3.27Å; I726-A730 WeakPolarHBondContact O-CB 3.5Å; I726-A730 PolarHBondContact O-N 3.42Å; A730-S732 PolarHBondContact O-N 2.95Å; A730-T770 HydrophobicContact CB-CG2 3.92Å; A730-I771 HydrophobicContact CB-CG1 3.95Å; A730-K774 WeakPolarHBondContact O-CD 3.43Å |
| 731 | S | 83.5 | Confident | 83.8 | Confident | 12 Ų | 12 | 42.4 Ų | 42.4 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -7.3 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 113.3 | Q727 I728 I729 T770 K774 | Q727-S731 WeakPolarHBondContact O-CB 3.29Å; Q727-S731 PolarHBondContact O-N 3.13Å; Q727-S731 PolarHBondContact O-OG 3.1Å; I728-S731 CarbonylContact O-C 3.55Å; I728-S731 PolarHBondContact O-N 3.36Å; I729-S731 VanDerWaalsContact C-N 3.27Å; I729-S731 PolarHBondContact O-N 3.39Å; S731-T770 WeakPolarHBondContact OG-CG2 3.44Å; S731-K774 PolarHBondContact O-NZ 2.79Å |
| 732 | S | 82.5 | Confident | 84 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.028 | 22% | 0.215 | C | C | . | . | trans | -55.7 | 141.9 | -178.5 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | S692 I728 I729 A730 L734 K774 | S692-S732 WeakPolarHBondContact CA-OG 3.26Å; S692-S732 PolarHBondContact O-OG 3.1Å; I728-S732 PolarHBondContact O-N 3.5Å; I728-S732 VanDerWaalsContact O-N 3.14Å; I729-S732 WeakPolarHBondContact O-CB 3.35Å; I729-S732 PolarHBondContact O-N 3.35Å; A730-S732 PolarHBondContact O-N 2.95Å; S732-L734 WeakPolarHBondContact OG-CB 3.42Å; S732-L734 PolarHBondContact OG-N 3.48Å; S732-K774 PolarHBondContact O-NZ 3Å | ||
| 733 | P | 74.3 | Confident | 83.6 | Confident | 109 Ų | 109 | 44.7 Ų | 44.7 | 71% | 0.708 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -74.9 | -11 | 168.2 | 31.3 | -34.7 | 0 | 0 | 0 | 112.9 | ||
| 734 | L | 77.3 | Confident | 83.5 | Confident | 28 Ų | 28 | 46.2 Ų | 46.2 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -79.7 | 139 | 179 | -56.7 | 173.6 | 0 | 0 | 0 | 110.7 | S692 Y696 S732 L736 | S692-L734 WeakPolarHBondContact O-CD1 3.47Å; Y696-L734 HydrophobicContact CD1-CD1 3.8Å; Y696-L734 HydrophobicContact CD1-CD2 3.73Å; Y696-L734 HydrophobicContact CD1-CG 4.39Å; Y696-L734 HydrophobicContact CE1-CD1 4.42Å; Y696-L734 HydrophobicContact CE1-CD2 4.02Å; S732-L734 WeakPolarHBondContact OG-CB 3.42Å; S732-L734 PolarHBondContact OG-N 3.48Å; L734-L736 VanDerWaalsContact C-N 3.28Å; L734-L736 HydrophobicContact CB-CD2 4.45Å; L734-L736 HydrophobicContact CB-CG 4.2Å; L734-L736 PolarHBondContact O-N 3.22Å |
| 735 | Q | 70.5 | Confident | 83.7 | Confident | 197 Ų | 197 | 41.3 Ų | 41.3 | 92% | 0.921 | 23% | 0.228 | S | C | * | . | trans | -78.1 | 76.7 | 173.3 | -66.6 | -170.4 | 0.2 | 0 | 0 | 110.6 | ||||
| 736 | L | 74.7 | Confident | 83.8 | Confident | 15 Ų | 15 | 41.4 Ų | 41.4 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | trans | -80 | 133.8 | 173.3 | -59.5 | 171.4 | 0 | 0 | 0 | 109.4 | I702 I729 L734 L738 | I702-L736 HydrophobicContact CD1-CD2 4.03Å; I729-L736 HydrophobicContact CG2-CD1 4.18Å; L734-L736 VanDerWaalsContact C-N 3.28Å; L734-L736 HydrophobicContact CB-CD2 4.45Å; L734-L736 HydrophobicContact CB-CG 4.2Å; L734-L736 PolarHBondContact O-N 3.22Å; L736-L738 HydrophobicContact CB-CD2 4.07Å; L736-L738 HydrophobicContact CB-CG 4.04Å; L736-L738 PolarHBondContact O-N 2.91Å | ||
| 737 | D | 78.7 | Confident | 83.7 | Confident | 111 Ų | 111 | 45.8 Ų | 45.8 | 59% | 0.594 | 25% | 0.248 | S | C | * | . | trans | -72.4 | 93.9 | 171.4 | -178.8 | 13.5 | 0 | 0 | 0 | 109.9 | S739 | D737-S739 WeakPolarHBondContact OD1-CB 3.42Å; D737-S739 PolarHBondContact OD1-N 3.43Å; D737-S739 VanDerWaalsContact OD1-N 3.07Å; D737-S739 PolarHBondContact OD1-OG 3.28Å | ||
| 738 | L | 83.9 | Confident | 83.9 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | trans | -98 | 10.4 | 179.1 | -58.7 | 177.6 | 0 | 0 | 0 | 112.6 | L706 I729 L736 K740 F741 L742 Y775 | L706-L738 HydrophobicContact CD1-CD2 3.86Å; L706-L738 HydrophobicContact CD2-CD2 4.27Å; I729-L738 HydrophobicContact CG2-CD1 4.15Å; I729-L738 HydrophobicContact CG2-CD2 4.04Å; L736-L738 HydrophobicContact CB-CD2 4.07Å; L736-L738 HydrophobicContact CB-CG 4.04Å; L736-L738 PolarHBondContact O-N 2.91Å; L738-K740 VanDerWaalsContact C-N 3.3Å; L738-K740 PolarHBondContact O-N 3.46Å; L738-F741 PolarHBondContact O-N 3.25Å; L738-L742 HydrophobicContact CB-CD1 3.53Å; L738-L742 HydrophobicContact CB-CG 3.74Å; L738-L742 HydrophobicContact CD1-CD1 4.03Å; L738-L742 HydrophobicContact CD1-CG 4.43Å; L738-L742 HydrophobicContact CG-CD1 4.45Å; L738-L742 PolarHBondContact O-N 3.02Å; L738-Y775 HydrophobicContact CD1-CE2 4.03Å | ||
| 739 | S | 82.2 | Confident | 84.3 | Confident | 69 Ų | 69 | 45.5 Ų | 45.5 | 48% | 0.483 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -34.7 | -171.7 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | D737 P743 | D737-S739 WeakPolarHBondContact OD1-CB 3.42Å; D737-S739 PolarHBondContact OD1-N 3.43Å; D737-S739 VanDerWaalsContact OD1-N 3.07Å; D737-S739 PolarHBondContact OD1-OG 3.28Å; S739-P743 WeakPolarHBondContact O-CD 3.45Å; S739-P743 VanDerWaalsContact O-CG 3.28Å; S739-P743 WeakPolarHBondContact O-CG 3.38Å |
| 740 | K | 83.6 | Confident | 84.4 | Confident | 169 Ų | 169 | 45.7 Ų | 45.7 | 74% | 0.735 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -29.6 | 178.7 | -62.1 | 179.6 | -174.9 | 171.9 | 0 | 113.4 | L738 | L738-K740 VanDerWaalsContact C-N 3.3Å; L738-K740 PolarHBondContact O-N 3.46Å |
| 741 | F | 88.6 | Confident | 84.6 | Confident | 18 Ų | 18 | 48 Ų | 48 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -41.7 | -171.2 | 170.7 | -105.9 | 0 | 0 | 0 | 113.5 | L706 I709 I726 L738 S745 | L706-F741 HydrophobicContact CB-CB 4.24Å; L706-F741 HydrophobicContact CB-CD2 3.6Å; L706-F741 HydrophobicContact CB-CE2 4.02Å; L706-F741 HydrophobicContact CB-CG 3.89Å; L706-F741 HydrophobicContact CD1-CB 3.88Å; L706-F741 HydrophobicContact CD1-CD1 4.4Å; L706-F741 HydrophobicContact CD1-CG 4.07Å; L706-F741 HydrophobicContact CD2-CD1 3.82Å; L706-F741 HydrophobicContact CD2-CD2 4.29Å; L706-F741 HydrophobicContact CD2-CE1 3.89Å; L706-F741 HydrophobicContact CD2-CE2 4.32Å; L706-F741 HydrophobicContact CD2-CG 4.02Å; L706-F741 HydrophobicContact CD2-CZ 4.13Å; L706-F741 HydrophobicContact CG-CB 4.49Å; L706-F741 HydrophobicContact CG-CD1 4.47Å; L706-F741 HydrophobicContact CG-CD2 4.37Å; L706-F741 HydrophobicContact CG-CG 4.2Å; L706-F741 WeakPolarHBondContact O-CE2 3.44Å; I709-F741 HydrophobicContact CG2-CZ 4.06Å; I726-F741 HydrophobicContact CD1-CZ 4.18Å; I726-F741 HydrophobicContact CG1-CE1 4.13Å; I726-F741 HydrophobicContact CG1-CZ 3.91Å; I726-F741 HydrophobicContact CG2-CE1 4.42Å; L738-F741 PolarHBondContact O-N 3.25Å; F741-S745 WeakPolarHBondContact CD2-OG 3.45Å; F741-S745 WeakPolarHBondContact CE2-OG 3.28Å; F741-S745 VanDerWaalsContact CZ-OG 3.23Å; F741-S745 WeakPolarHBondContact CZ-OG 3.46Å; F741-S745 WeakPolarHBondContact O-CB 3.37Å; F741-S745 PolarHBondContact O-N 3.35Å; F741-S745 VanDerWaalsContact O-N 3.09Å; F741-S745 PolarHBondContact O-OG 3.18Å |
| 742 | L | 89.1 | Confident | 84.9 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.4 | -38.4 | -174.7 | -74.2 | 172.8 | 0 | 0 | 0 | 114.3 | L738 G744 S745 S746 I771 Y775 | L738-L742 HydrophobicContact CB-CD1 3.53Å; L738-L742 HydrophobicContact CB-CG 3.74Å; L738-L742 HydrophobicContact CD1-CD1 4.03Å; L738-L742 HydrophobicContact CD1-CG 4.43Å; L738-L742 HydrophobicContact CG-CD1 4.45Å; L738-L742 PolarHBondContact O-N 3.02Å; L742-G744 PolarHBondContact O-N 3.32Å; L742-S745 PolarHBondContact O-N 3.3Å; L742-S746 WeakPolarHBondContact O-CB 3.49Å; L742-S746 PolarHBondContact O-N 3.04Å; L742-S746 PolarHBondContact O-OG 3.44Å; L742-I771 HydrophobicContact CD1-CG2 4.49Å; L742-I771 HydrophobicContact CD2-CD1 3.99Å; L742-I771 HydrophobicContact CD2-CG1 4.02Å; L742-I771 HydrophobicContact CD2-CG2 4.33Å; L742-Y775 HydrophobicContact CD1-CD1 4.37Å; L742-Y775 HydrophobicContact CD1-CD2 3.91Å; L742-Y775 HydrophobicContact CD1-CG 3.82Å |
| 743 | P | 87.7 | Confident | 85.2 | Confident | 49 Ų | 49 | 47.4 Ų | 47.4 | 32% | 0.318 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.1 | -48.2 | -179.8 | -25 | 33.8 | 0 | 0 | 0 | 112.8 | S739 H747 S778 | S739-P743 WeakPolarHBondContact O-CD 3.45Å; S739-P743 VanDerWaalsContact O-CG 3.28Å; S739-P743 WeakPolarHBondContact O-CG 3.38Å; P743-H747 PolarHBondContact O-N 3.03Å; P743-H747 VanDerWaalsContact O-N 3.09Å; P743-S778 WeakPolarHBondContact CA-O 3.4Å; P743-S778 WeakPolarHBondContact CG-O 3.13Å |
| 744 | G | 88.1 | Confident | 85.8 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.5 | -42 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L742 H747 E748 | L742-G744 PolarHBondContact O-N 3.32Å; G744-H747 PolarHBondContact O-N 3.48Å; G744-E748 PolarHBondContact O-N 2.69Å |
| 745 | S | 91 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 177.2 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | F741 L742 H747 E748 L749 | F741-S745 WeakPolarHBondContact CD2-OG 3.45Å; F741-S745 WeakPolarHBondContact CE2-OG 3.28Å; F741-S745 VanDerWaalsContact CZ-OG 3.23Å; F741-S745 WeakPolarHBondContact CZ-OG 3.46Å; F741-S745 WeakPolarHBondContact O-CB 3.37Å; F741-S745 PolarHBondContact O-N 3.35Å; F741-S745 VanDerWaalsContact O-N 3.09Å; F741-S745 PolarHBondContact O-OG 3.18Å; L742-S745 PolarHBondContact O-N 3.3Å; S745-H747 VanDerWaalsContact C-N 3.33Å; S745-H747 PolarHBondContact O-N 2.9Å; S745-E748 PolarHBondContact O-N 3.28Å; S745-L749 WeakPolarHBondContact O-CB 3.33Å; S745-L749 WeakPolarHBondContact O-CG 3.35Å; S745-L749 PolarHBondContact O-N 3.4Å |
| 746 | S | 89.9 | Confident | 86.9 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.1 | -37 | 178.5 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | L742 L749 G750 C783 | L742-S746 WeakPolarHBondContact O-CB 3.49Å; L742-S746 PolarHBondContact O-N 3.04Å; L742-S746 PolarHBondContact O-OG 3.44Å; S746-L749 PolarHBondContact O-N 3.03Å; S746-G750 PolarHBondContact O-N 2.8Å; S746-C783 PolarHBondContact O-SG 2.93Å |
| 747 | H | 89.2 | Confident | 87.4 | Confident | 93 Ų | 93 | 48.5 Ų | 48.5 | 43% | 0.431 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.9 | -49.8 | 172.7 | -173.1 | 80.5 | 0 | 0 | 0 | 111.3 | P743 G744 S745 G750 T751 | P743-H747 PolarHBondContact O-N 3.03Å; P743-H747 VanDerWaalsContact O-N 3.09Å; G744-H747 PolarHBondContact O-N 3.48Å; S745-H747 VanDerWaalsContact C-N 3.33Å; S745-H747 PolarHBondContact O-N 2.9Å; H747-G750 PolarHBondContact O-N 3.1Å; H747-T751 WeakPolarHBondContact O-CG2 3.25Å; H747-T751 PolarHBondContact O-N 3.44Å |
| 748 | E | 91 | Very high | 87.8 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -45 | 178.2 | -170.6 | 63.3 | -158.2 | 0 | 0 | 111.8 | Y710 L713 T714 G744 S745 G750 T751 F752 | Y710-E748 HydrophobicContact CE2-CB 4.45Å; L713-E748 HydrophobicContact CD2-CB 3.88Å; L713-E748 HydrophobicContact CD2-CG 3.87Å; L713-E748 HydrophobicContact CG-CG 4.11Å; T714-E748 HydrophobicContact CG2-CG 4.49Å; G744-E748 PolarHBondContact O-N 2.69Å; S745-E748 PolarHBondContact O-N 3.28Å; E748-G750 VanDerWaalsContact C-N 3.29Å; E748-G750 PolarHBondContact O-N 3.34Å; E748-T751 WeakPolarHBondContact O-CB 3.41Å; E748-T751 PolarHBondContact O-N 3.42Å; E748-T751 PolarHBondContact O-OG1 3.17Å; E748-F752 HydrophobicContact CG-CE1 3.94Å; E748-F752 HydrophobicContact CG-CZ 3.86Å; E748-F752 WeakPolarHBondContact O-CD1 3.09Å; E748-F752 PolarHBondContact O-N 3.31Å; E748-F752 WeakPolarHBondContact OE1-CE1 3.35Å |
| 749 | L | 91.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.8 | -41.6 | 174.3 | -72.3 | 172.7 | 0 | 0 | 0 | 111.8 | L713 V723 I726 S745 S746 T751 F752 T764 L768 I771 | L713-L749 HydrophobicContact CD1-CD2 4.06Å; V723-L749 HydrophobicContact CB-CD2 4.28Å; V723-L749 HydrophobicContact CG1-CD2 3.78Å; V723-L749 HydrophobicContact CG2-CD2 3.68Å; I726-L749 HydrophobicContact CG2-CD1 4.44Å; S745-L749 WeakPolarHBondContact O-CB 3.33Å; S745-L749 WeakPolarHBondContact O-CG 3.35Å; S745-L749 PolarHBondContact O-N 3.4Å; S746-L749 PolarHBondContact O-N 3.03Å; L749-T751 PolarHBondContact O-N 3.07Å; L749-F752 HydrophobicContact CD2-CD2 4.24Å; L749-F752 HydrophobicContact CD2-CE2 4.44Å; L749-F752 WeakPolarHBondContact O-CB 3.28Å; L749-F752 PolarHBondContact O-N 2.94Å; L749-T764 HydrophobicContact CB-CG2 3.99Å; L749-T764 HydrophobicContact CD2-CG2 4.12Å; L749-T764 WeakPolarHBondContact O-CG2 3.39Å; L749-L768 HydrophobicContact CB-CD2 4.05Å; L749-L768 HydrophobicContact CB-CG 4.38Å; L749-L768 HydrophobicContact CD1-CD2 4.34Å; L749-I771 HydrophobicContact CD1-CD1 3.89Å |
| 750 | G | 89.5 | Confident | 88 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.9 | -36.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S746 H747 E748 F752 L753 | S746-G750 PolarHBondContact O-N 2.8Å; H747-G750 PolarHBondContact O-N 3.1Å; E748-G750 VanDerWaalsContact C-N 3.29Å; E748-G750 PolarHBondContact O-N 3.34Å; G750-F752 VanDerWaalsContact C-N 3.3Å; G750-F752 PolarHBondContact O-N 3.5Å; G750-L753 WeakPolarHBondContact O-CB 3.33Å; G750-L753 PolarHBondContact O-N 3.22Å |
| 751 | T | 89.1 | Confident | 88.3 | Confident | 49 Ų | 49 | 42.3 Ų | 42.3 | 30% | 0.301 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.1 | -30 | 176.5 | 78.8 | 0 | 0 | 0 | 0 | 112.6 | H747 E748 L749 L753 S754 | H747-T751 WeakPolarHBondContact O-CG2 3.25Å; H747-T751 PolarHBondContact O-N 3.44Å; E748-T751 WeakPolarHBondContact O-CB 3.41Å; E748-T751 PolarHBondContact O-N 3.42Å; E748-T751 PolarHBondContact O-OG1 3.17Å; L749-T751 PolarHBondContact O-N 3.07Å; T751-L753 PolarHBondContact O-N 3.18Å; T751-S754 WeakPolarHBondContact O-CB 3.4Å; T751-S754 PolarHBondContact O-N 3.42Å; T751-S754 VanDerWaalsContact O-N 3.11Å; T751-S754 PolarHBondContact O-OG 3.35Å |
| 752 | F | 90.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.8 | -23.8 | -178.4 | -64.9 | -5.2 | 0 | 0 | 0 | 112.9 | L713 R719 V723 E748 L749 G750 S754 K755 L760 T764 | L713-F752 HydrophobicContact CD1-CE2 3.59Å; L713-F752 HydrophobicContact CD1-CZ 4.11Å; L713-F752 HydrophobicContact CG-CE2 4.05Å; L713-F752 HydrophobicContact CG-CZ 4.07Å; L713-F752 WeakPolarHBondContact O-CZ 3.44Å; R719-F752 HydrophobicContact CB-CE2 4.3Å; R719-F752 HydrophobicContact CB-CZ 4.37Å; V723-F752 HydrophobicContact CG2-CD2 3.97Å; V723-F752 HydrophobicContact CG2-CE2 3.88Å; E748-F752 HydrophobicContact CG-CE1 3.94Å; E748-F752 HydrophobicContact CG-CZ 3.86Å; E748-F752 WeakPolarHBondContact O-CD1 3.09Å; E748-F752 PolarHBondContact O-N 3.31Å; E748-F752 WeakPolarHBondContact OE1-CE1 3.35Å; L749-F752 HydrophobicContact CD2-CD2 4.24Å; L749-F752 HydrophobicContact CD2-CE2 4.44Å; L749-F752 WeakPolarHBondContact O-CB 3.28Å; L749-F752 PolarHBondContact O-N 2.94Å; G750-F752 VanDerWaalsContact C-N 3.3Å; G750-F752 PolarHBondContact O-N 3.5Å; F752-S754 PolarHBondContact O-N 2.83Å; F752-K755 HydrophobicContact CD1-CD 4.09Å; F752-K755 WeakPolarHBondContact O-CB 3.47Å; F752-K755 PolarHBondContact O-N 2.99Å; F752-K755 VanDerWaalsContact O-N 3.09Å; F752-L760 HydrophobicContact CB-CD2 4.06Å; F752-L760 HydrophobicContact CB-CG 4.15Å; F752-L760 HydrophobicContact CD2-CD1 3.84Å; F752-L760 HydrophobicContact CD2-CD2 4.23Å; F752-L760 HydrophobicContact CD2-CG 4.19Å; F752-L760 HydrophobicContact CE2-CD1 4.33Å; F752-L760 HydrophobicContact CG-CD1 4.47Å; F752-L760 HydrophobicContact CG-CD2 4.06Å; F752-L760 HydrophobicContact CG-CG 4.34Å; F752-T764 HydrophobicContact CB-CG2 4.14Å |
| 753 | L | 88.7 | Confident | 87.9 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.2 | 173.2 | -60.9 | -175.7 | 0 | 0 | 0 | 112.7 | G750 T751 R761 T764 L765 L768 I787 L790 M791 L794 | G750-L753 WeakPolarHBondContact O-CB 3.33Å; G750-L753 PolarHBondContact O-N 3.22Å; T751-L753 PolarHBondContact O-N 3.18Å; L753-R761 WeakPolarHBondContact O-CD 3.44Å; L753-T764 HydrophobicContact CD2-CG2 3.69Å; L753-T764 HydrophobicContact CG-CG2 4.15Å; L753-L765 HydrophobicContact CD1-CD2 4.12Å; L753-L765 HydrophobicContact CD2-CD2 3.62Å; L753-L765 HydrophobicContact CD2-CG 3.68Å; L753-L768 HydrophobicContact CD1-CD1 3.86Å; L753-L768 HydrophobicContact CD2-CD1 4.46Å; L753-L768 HydrophobicContact CG-CD1 4.33Å; L753-I787 HydrophobicContact CD1-CG1 4.22Å; L753-I787 HydrophobicContact CD1-CG2 4.16Å; L753-L790 HydrophobicContact CB-CD1 4.08Å; L753-M791 HydrophobicContact CD1-CE 4.03Å; L753-L794 HydrophobicContact CB-CD1 4.34Å; L753-L794 HydrophobicContact CD1-CD1 4.29Å; L753-L794 HydrophobicContact CD2-CD1 4.45Å |
| 754 | S | 87.7 | Confident | 88.1 | Confident | 73 Ų | 73 | 40.5 Ų | 40.5 | 51% | 0.51 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -10.7 | 177 | 73 | 0 | 0 | 0 | 0 | 114.1 | T751 F752 | T751-S754 WeakPolarHBondContact O-CB 3.4Å; T751-S754 PolarHBondContact O-N 3.42Å; T751-S754 VanDerWaalsContact O-N 3.11Å; T751-S754 PolarHBondContact O-OG 3.35Å; F752-S754 PolarHBondContact O-N 2.83Å |
| 755 | K | 87 | Confident | 88.1 | Confident | 57 Ų | 57 | 39 Ų | 39 | 25% | 0.248 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -82.1 | 150.3 | -176.6 | -64 | -177.5 | 177.1 | 172 | 0 | 111.2 | E716 F752 D757 L760 R761 | E716-K755 IonicContact OE1-NZ 3.44Å; F752-K755 HydrophobicContact CD1-CD 4.09Å; F752-K755 WeakPolarHBondContact O-CB 3.47Å; F752-K755 PolarHBondContact O-N 2.99Å; F752-K755 VanDerWaalsContact O-N 3.09Å; K755-D757 PolarHBondContact O-N 3.25Å; K755-L760 HydrophobicContact CD-CD2 4.08Å; K755-R761 WeakPolarHBondContact O-CD 3.49Å; K755-R761 WeakPolarHBondContact O-CG 3.4Å; K755-R761 PolarHBondContact O-NE 3.21Å |
| 756 | N | 82.9 | Confident | 87.9 | Confident | 161 Ų | 161 | 42.1 Ų | 42.1 | 86% | 0.861 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -73 | -11.6 | -177.4 | -68.6 | -19.1 | 0 | 0 | 0 | 114.1 | R758 | N756-R758 PolarHBondContact O-N 2.92Å; N756-R758 VanDerWaalsContact O-N 3.14Å |
| 757 | D | 86.2 | Confident | 87.8 | Confident | 80 Ų | 80 | 42 Ų | 42 | 43% | 0.428 | 21% | 0.21 | S | C | . | . | trans | -70.4 | 108.2 | 178 | -178 | -14.8 | 0 | 0 | 0 | 110.9 | K755 N759 L760 R761 | K755-D757 PolarHBondContact O-N 3.25Å; D757-N759 PolarHBondContact OD1-N 3.29Å; D757-L760 HydrophobicContact CB-CB 3.78Å; D757-L760 HydrophobicContact CB-CD2 4.45Å; D757-L760 VanDerWaalsContact CG-CB 3.48Å; D757-L760 PolarHBondContact OD1-N 3.46Å; D757-L760 VanDerWaalsContact OD1-N 3.09Å; D757-R761 WeakPolarHBondContact O-CG 3.39Å; D757-R761 PolarHBondContact O-N 3.36Å | ||
| 758 | R | 86.8 | Confident | 87.9 | Confident | 106 Ų | 106 | 37.7 Ų | 37.7 | 40% | 0.4 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 179.6 | -176.7 | 178.1 | -177.5 | -134.8 | -7.3 | 112.9 | N756 R761 M762 D800 | N756-R758 PolarHBondContact O-N 2.92Å; N756-R758 VanDerWaalsContact O-N 3.14Å; R758-R761 PolarHBondContact O-N 2.86Å; R758-M762 HydrophobicContact CG-SD 4.24Å; R758-M762 WeakPolarHBondContact O-CG 3.4Å; R758-M762 PolarHBondContact O-N 2.88Å; R758-D800 IonicContact CZ-OD1 3.98Å; R758-D800 VanDerWaalsContact CZ-OD1 3.26Å; R758-D800 VanDerWaalsContact NE-CG 3.29Å; R758-D800 IonicContact NE-OD1 2.68Å; R758-D800 PolarHBondContact NE-OD1 3.44Å; R758-D800 IonicContact NE-OD2 3.14Å; R758-D800 PolarHBondContact NE-OD2 3.48Å; R758-D800 IonicContact NH2-OD1 3.72Å; R758-D800 PolarHBondContact NH2-OD1 3.21Å |
| 759 | N | 82.4 | Confident | 87.8 | Confident | 73 Ų | 73 | 35.9 Ų | 35.9 | 39% | 0.39 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.8 | -42.2 | -176.7 | -173.5 | 26.1 | 0 | 0 | 0 | 110.6 | L720 D757 R761 M762 I763 | L720-N759 WeakPolarHBondContact CD2-ND2 3.44Å; D757-N759 PolarHBondContact OD1-N 3.29Å; N759-R761 PolarHBondContact O-N 2.6Å; N759-M762 PolarHBondContact O-N 2.61Å; N759-I763 WeakPolarHBondContact O-CG1 3.39Å; N759-I763 PolarHBondContact O-N 3.18Å; N759-I763 VanDerWaalsContact OD1-CD1 3.3Å; N759-I763 WeakPolarHBondContact OD1-CD1 3.42Å |
| 760 | L | 87.9 | Confident | 87.5 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.1 | -47.3 | 173.5 | -176.9 | 65.4 | 0 | 0 | 0 | 111.4 | R719 L720 V723 F752 K755 D757 M762 T764 | R719-L760 HydrophobicContact CG-CD1 4.21Å; L720-L760 HydrophobicContact CD1-CB 4.39Å; L720-L760 HydrophobicContact CD1-CD1 4.16Å; V723-L760 HydrophobicContact CG2-CD1 4.01Å; F752-L760 HydrophobicContact CB-CD2 4.06Å; F752-L760 HydrophobicContact CB-CG 4.15Å; F752-L760 HydrophobicContact CD2-CD1 3.84Å; F752-L760 HydrophobicContact CD2-CD2 4.23Å; F752-L760 HydrophobicContact CD2-CG 4.19Å; F752-L760 HydrophobicContact CE2-CD1 4.33Å; F752-L760 HydrophobicContact CG-CD1 4.47Å; F752-L760 HydrophobicContact CG-CD2 4.06Å; F752-L760 HydrophobicContact CG-CG 4.34Å; K755-L760 HydrophobicContact CD-CD2 4.08Å; D757-L760 HydrophobicContact CB-CB 3.78Å; D757-L760 HydrophobicContact CB-CD2 4.45Å; D757-L760 VanDerWaalsContact CG-CB 3.48Å; D757-L760 PolarHBondContact OD1-N 3.46Å; D757-L760 VanDerWaalsContact OD1-N 3.09Å; L760-M762 PolarHBondContact O-N 2.95Å; L760-T764 WeakPolarHBondContact O-CB 3.41Å; L760-T764 PolarHBondContact O-N 2.74Å; L760-T764 PolarHBondContact O-OG1 2.88Å |
| 761 | R | 88.9 | Confident | 87.4 | Confident | 43 Ų | 43 | 35.9 Ų | 35.9 | 16% | 0.162 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.7 | -47.2 | 177.7 | -75 | -171.6 | -68.5 | 151.1 | 5.8 | 112.2 | L753 K755 D757 R758 N759 T764 L765 D800 | L753-R761 WeakPolarHBondContact O-CD 3.44Å; K755-R761 WeakPolarHBondContact O-CD 3.49Å; K755-R761 WeakPolarHBondContact O-CG 3.4Å; K755-R761 PolarHBondContact O-NE 3.21Å; D757-R761 WeakPolarHBondContact O-CG 3.39Å; D757-R761 PolarHBondContact O-N 3.36Å; R758-R761 PolarHBondContact O-N 2.86Å; N759-R761 PolarHBondContact O-N 2.6Å; R761-T764 WeakPolarHBondContact O-CB 3.38Å; R761-T764 PolarHBondContact O-N 3.32Å; R761-L765 WeakPolarHBondContact O-CG 3.46Å; R761-L765 PolarHBondContact O-N 3.29Å; R761-D800 IonicContact NH2-OD2 2.81Å |
| 762 | M | 85.6 | Confident | 87.3 | Confident | 19 Ų | 19 | 33.8 Ų | 33.8 | 9% | 0.094 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -48.1 | -179.2 | -72.2 | 177.9 | 63 | 0 | 0 | 112.6 | R758 N759 L760 T764 L765 R766 Q802 T803 L806 | R758-M762 HydrophobicContact CG-SD 4.24Å; R758-M762 WeakPolarHBondContact O-CG 3.4Å; R758-M762 PolarHBondContact O-N 2.88Å; N759-M762 PolarHBondContact O-N 2.61Å; L760-M762 PolarHBondContact O-N 2.95Å; M762-T764 VanDerWaalsContact C-N 3.29Å; M762-T764 PolarHBondContact O-N 3.41Å; M762-L765 PolarHBondContact O-N 3.29Å; M762-R766 PolarHBondContact O-N 3.1Å; M762-Q802 HydrophobicContact CE-CB 3.81Å; M762-Q802 HydrophobicContact SD-CB 4.2Å; M762-T803 WeakPolarHBondContact CG-OG1 3.5Å; M762-L806 HydrophobicContact CB-CD1 4.02Å; M762-L806 HydrophobicContact CE-CD1 4.48Å; M762-L806 HydrophobicContact CG-CD1 4.26Å; M762-L806 WeakPolarHBondContact O-CD1 3.46Å |
| 763 | I | 83.5 | Confident | 87 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 6% | 0.062 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67 | -36.4 | 179.4 | -63.6 | 168.8 | 0 | 0 | 0 | 110.2 | L720 V723 R724 N759 R766 C767 | L720-I763 HydrophobicContact CD1-CD1 3.66Å; L720-I763 HydrophobicContact CG-CD1 4.19Å; V723-I763 HydrophobicContact CB-CG2 4.11Å; V723-I763 HydrophobicContact CG1-CB 4.41Å; V723-I763 HydrophobicContact CG1-CG2 3.64Å; R724-I763 HydrophobicContact CG-CD1 4.28Å; R724-I763 HydrophobicContact CG-CG2 3.76Å; N759-I763 WeakPolarHBondContact O-CG1 3.39Å; N759-I763 PolarHBondContact O-N 3.18Å; N759-I763 VanDerWaalsContact OD1-CD1 3.3Å; N759-I763 WeakPolarHBondContact OD1-CD1 3.42Å; I763-R766 PolarHBondContact O-N 3.4Å; I763-C767 VanDerWaalsContact O-CB 3.3Å; I763-C767 WeakPolarHBondContact O-CB 3.48Å; I763-C767 PolarHBondContact O-N 3.47Å |
| 764 | T | 91.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 174 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | L749 F752 L753 L760 R761 M762 R766 C767 L768 | L749-T764 HydrophobicContact CB-CG2 3.99Å; L749-T764 HydrophobicContact CD2-CG2 4.12Å; L749-T764 WeakPolarHBondContact O-CG2 3.39Å; F752-T764 HydrophobicContact CB-CG2 4.14Å; L753-T764 HydrophobicContact CD2-CG2 3.69Å; L753-T764 HydrophobicContact CG-CG2 4.15Å; L760-T764 WeakPolarHBondContact O-CB 3.41Å; L760-T764 PolarHBondContact O-N 2.74Å; L760-T764 PolarHBondContact O-OG1 2.88Å; R761-T764 WeakPolarHBondContact O-CB 3.38Å; R761-T764 PolarHBondContact O-N 3.32Å; M762-T764 VanDerWaalsContact C-N 3.29Å; M762-T764 PolarHBondContact O-N 3.41Å; T764-R766 PolarHBondContact O-N 3.09Å; T764-C767 WeakPolarHBondContact O-CB 3.34Å; T764-C767 PolarHBondContact O-N 2.85Å; T764-L768 HydrophobicContact CG2-CD1 4Å; T764-L768 HydrophobicContact CG2-CG 4.41Å; T764-L768 WeakPolarHBondContact O-CB 3.38Å; T764-L768 WeakPolarHBondContact O-CG 3.22Å; T764-L768 PolarHBondContact O-N 2.96Å |
| 765 | L | 89.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -42.4 | 176.3 | -73 | 171 | 0 | 0 | 0 | 112.2 | L753 R761 M762 L768 Y769 M791 L794 T803 L806 L810 | L753-L765 HydrophobicContact CD1-CD2 4.12Å; L753-L765 HydrophobicContact CD2-CD2 3.62Å; L753-L765 HydrophobicContact CD2-CG 3.68Å; R761-L765 WeakPolarHBondContact O-CG 3.46Å; R761-L765 PolarHBondContact O-N 3.29Å; M762-L765 PolarHBondContact O-N 3.29Å; L765-L768 PolarHBondContact O-N 3.41Å; L765-Y769 WeakPolarHBondContact O-CB 3.44Å; L765-Y769 PolarHBondContact O-N 3.48Å; L765-M791 HydrophobicContact CD2-CE 3.84Å; L765-L794 HydrophobicContact CD2-CD1 4.17Å; L765-T803 HydrophobicContact CD1-CG2 3.68Å; L765-L806 HydrophobicContact CB-CB 3.84Å; L765-L806 HydrophobicContact CB-CD1 4.29Å; L765-L806 HydrophobicContact CD1-CB 3.86Å; L765-L806 HydrophobicContact CG-CB 4.47Å; L765-L810 HydrophobicContact CD2-CD2 3.91Å |
| 766 | R | 85.9 | Confident | 86.1 | Confident | 65 Ų | 65 | 38.9 Ų | 38.9 | 25% | 0.245 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 174.7 | -73 | 179.4 | 174.8 | 178 | -0.9 | 111.5 | M762 I763 T764 Y769 T770 L806 | M762-R766 PolarHBondContact O-N 3.1Å; I763-R766 PolarHBondContact O-N 3.4Å; T764-R766 PolarHBondContact O-N 3.09Å; R766-Y769 WeakPolarHBondContact O-CB 3.47Å; R766-Y769 PolarHBondContact O-N 3.25Å; R766-T770 PolarHBondContact O-N 3.39Å; R766-T770 PolarHBondContact O-OG1 2.69Å; R766-T770 VanDerWaalsContact O-OG1 3.1Å; R766-L806 HydrophobicContact CG-CD1 3.98Å; R766-L806 HydrophobicContact CG-CD2 3.74Å |
| 767 | C | 88.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.3 | -48.9 | 177.4 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | V723 I726 Q727 I763 T764 Y769 T770 I771 | V723-C767 HydrophobicContact CG1-CB 3.82Å; I726-C767 VanDerWaalsContact CG2-SG 3.59Å; Q727-C767 HydrophobicContact CB-CB 4.04Å; I763-C767 VanDerWaalsContact O-CB 3.3Å; I763-C767 WeakPolarHBondContact O-CB 3.48Å; I763-C767 PolarHBondContact O-N 3.47Å; T764-C767 WeakPolarHBondContact O-CB 3.34Å; T764-C767 PolarHBondContact O-N 2.85Å; C767-Y769 VanDerWaalsContact C-N 3.31Å; C767-Y769 PolarHBondContact O-N 3.29Å; C767-T770 WeakPolarHBondContact O-CB 3.3Å; C767-T770 PolarHBondContact O-N 2.83Å; C767-I771 VanDerWaalsContact O-CG1 3.3Å; C767-I771 WeakPolarHBondContact O-CG1 3.04Å; C767-I771 PolarHBondContact O-N 2.92Å |
| 768 | L | 90.5 | Very high | 85.5 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.8 | -39.2 | 176.2 | -72.7 | 171 | 0 | 0 | 0 | 112.3 | L749 L753 T764 L765 I771 L772 L779 I787 L810 | L749-L768 HydrophobicContact CB-CD2 4.05Å; L749-L768 HydrophobicContact CB-CG 4.38Å; L749-L768 HydrophobicContact CD1-CD2 4.34Å; L753-L768 HydrophobicContact CD1-CD1 3.86Å; L753-L768 HydrophobicContact CD2-CD1 4.46Å; L753-L768 HydrophobicContact CG-CD1 4.33Å; T764-L768 HydrophobicContact CG2-CD1 4Å; T764-L768 HydrophobicContact CG2-CG 4.41Å; T764-L768 WeakPolarHBondContact O-CB 3.38Å; T764-L768 WeakPolarHBondContact O-CG 3.22Å; T764-L768 PolarHBondContact O-N 2.96Å; L765-L768 PolarHBondContact O-N 3.41Å; L768-I771 PolarHBondContact O-N 2.84Å; L768-L772 WeakPolarHBondContact O-CB 3.39Å; L768-L772 PolarHBondContact O-N 2.93Å; L768-L779 HydrophobicContact CD2-CD2 4.3Å; L768-I787 HydrophobicContact CD1-CD1 3.97Å; L768-I787 HydrophobicContact CD1-CG1 4.4Å; L768-I787 HydrophobicContact CD2-CD1 4.07Å; L768-L810 HydrophobicContact CB-CD1 4.45Å; L768-L810 HydrophobicContact CB-CD2 4.23Å |
| 769 | Y | 89.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.1 | -49.2 | 174.2 | -178.1 | -83 | 0 | 0 | 0 | 111.5 | L765 R766 C767 I771 L772 L773 H809 L813 R857 V1239 F1242 | L765-Y769 WeakPolarHBondContact O-CB 3.44Å; L765-Y769 PolarHBondContact O-N 3.48Å; R766-Y769 WeakPolarHBondContact O-CB 3.47Å; R766-Y769 PolarHBondContact O-N 3.25Å; C767-Y769 VanDerWaalsContact C-N 3.31Å; C767-Y769 PolarHBondContact O-N 3.29Å; Y769-I771 VanDerWaalsContact C-N 3.33Å; Y769-I771 PolarHBondContact O-N 3.44Å; Y769-L772 PolarHBondContact O-N 3.2Å; Y769-L773 HydrophobicContact CE1-CD2 4.22Å; Y769-L773 WeakPolarHBondContact O-CB 3.48Å; Y769-L773 PolarHBondContact O-N 3.41Å; Y769-H809 HydrophobicContact CD2-CB 4.24Å; Y769-H809 HydrophobicContact CE2-CB 3.94Å; Y769-L813 HydrophobicContact CD2-CB 4.49Å; Y769-L813 HydrophobicContact CD2-CD2 3.91Å; Y769-L813 HydrophobicContact CE1-CD2 4.46Å; Y769-L813 HydrophobicContact CE2-CB 4.08Å; Y769-L813 HydrophobicContact CE2-CD2 3.78Å; Y769-L813 HydrophobicContact CE2-CG 4.49Å; Y769-L813 HydrophobicContact CG-CD2 4.3Å; Y769-R857 PolarHBondContact OH-NH1 3.35Å; Y769-V1239 HydrophobicContact CE1-CG1 3.98Å; Y769-F1242 HydrophobicContact CD1-CB 3.52Å; Y769-F1242 AromaticContact CD1-CD1 3.31Å; Y769-F1242 HydrophobicContact CD1-CD1 3.31Å; Y769-F1242 AromaticContact CD1-CD2 3.87Å; Y769-F1242 HydrophobicContact CD1-CD2 3.87Å; Y769-F1242 AromaticContact CD1-CE1 3.92Å; Y769-F1242 HydrophobicContact CD1-CE1 3.92Å; Y769-F1242 HydrophobicContact CD1-CE2 4.42Å; Y769-F1242 AromaticContact CD1-CG 3.28Å; Y769-F1242 HydrophobicContact CD1-CG 3.28Å; Y769-F1242 HydrophobicContact CD1-CZ 4.44Å; Y769-F1242 HydrophobicContact CD2-CD1 4.21Å; Y769-F1242 AromaticContact CD2-CE1 3.96Å; Y769-F1242 HydrophobicContact CD2-CE1 3.96Å; Y769-F1242 HydrophobicContact CD2-CZ 4.16Å; Y769-F1242 HydrophobicContact CE1-CB 3.55Å; Y769-F1242 AromaticContact CE1-CD1 3.76Å; Y769-F1242 HydrophobicContact CE1-CD1 3.76Å; Y769-F1242 AromaticContact CE1-CD2 3.36Å; Y769-F1242 HydrophobicContact CE1-CD2 3.36Å; Y769-F1242 HydrophobicContact CE1-CE1 4.27Å; Y769-F1242 AromaticContact CE1-CE2 3.95Å; Y769-F1242 HydrophobicContact CE1-CE2 3.95Å; Y769-F1242 AromaticContact CE1-CG 3.26Å; Y769-F1242 HydrophobicContact CE1-CG 3.26Å; Y769-F1242 HydrophobicContact CE1-CZ 4.37Å; Y769-F1242 HydrophobicContact CE2-CD2 4.37Å; Y769-F1242 HydrophobicContact CE2-CE1 4.31Å; Y769-F1242 HydrophobicContact CE2-CE2 4.11Å; Y769-F1242 HydrophobicContact CE2-CZ 4.09Å; Y769-F1242 AromaticContact CG-CD1 3.57Å; Y769-F1242 HydrophobicContact CG-CD1 3.57Å; Y769-F1242 AromaticContact CG-CE1 3.75Å; Y769-F1242 HydrophobicContact CG-CE1 3.75Å; Y769-F1242 HydrophobicContact CG-CG 4Å; Y769-F1242 HydrophobicContact CG-CZ 4.34Å; Y769-F1242 AromaticContact CZ-CD2 3.65Å; Y769-F1242 AromaticContact CZ-CE2 3.77Å; Y769-F1242 AromaticContact CZ-CG 3.98Å |
| 770 | T | 85 | Confident | 84.7 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | A730 S731 R766 C767 L773 K774 | A730-T770 HydrophobicContact CB-CG2 3.92Å; S731-T770 WeakPolarHBondContact OG-CG2 3.44Å; R766-T770 PolarHBondContact O-N 3.39Å; R766-T770 PolarHBondContact O-OG1 2.69Å; R766-T770 VanDerWaalsContact O-OG1 3.1Å; C767-T770 WeakPolarHBondContact O-CB 3.3Å; C767-T770 PolarHBondContact O-N 2.83Å; T770-L773 PolarHBondContact O-N 2.67Å; T770-K774 PolarHBondContact O-N 3.48Å; T770-K774 VanDerWaalsContact O-N 3.15Å |
| 771 | I | 88.1 | Confident | 84.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -48.8 | 179.4 | -67.7 | 165.7 | 0 | 0 | 0 | 110.5 | I726 A730 L742 L749 C767 L768 Y769 L773 K774 Y775 L779 | I726-I771 HydrophobicContact CG2-CD1 4.12Å; A730-I771 HydrophobicContact CB-CG1 3.95Å; L742-I771 HydrophobicContact CD1-CG2 4.49Å; L742-I771 HydrophobicContact CD2-CD1 3.99Å; L742-I771 HydrophobicContact CD2-CG1 4.02Å; L742-I771 HydrophobicContact CD2-CG2 4.33Å; L749-I771 HydrophobicContact CD1-CD1 3.89Å; C767-I771 VanDerWaalsContact O-CG1 3.3Å; C767-I771 WeakPolarHBondContact O-CG1 3.04Å; C767-I771 PolarHBondContact O-N 2.92Å; L768-I771 PolarHBondContact O-N 2.84Å; Y769-I771 VanDerWaalsContact C-N 3.33Å; Y769-I771 PolarHBondContact O-N 3.44Å; I771-L773 VanDerWaalsContact C-N 3.29Å; I771-L773 PolarHBondContact O-N 3.3Å; I771-K774 PolarHBondContact O-N 2.68Å; I771-Y775 CarbonylContact O-C 3.59Å; I771-Y775 WeakPolarHBondContact O-CA 3.42Å; I771-Y775 PolarHBondContact O-N 3.31Å; I771-L779 HydrophobicContact CG2-CD1 4.2Å; I771-L779 HydrophobicContact CG2-CG 4.38Å |
| 772 | L | 86.5 | Confident | 83.7 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.8 | -39.3 | -180 | -179.9 | 62.8 | 0 | 0 | 0 | 111.8 | L768 Y769 L779 L810 L813 F814 | L768-L772 WeakPolarHBondContact O-CB 3.39Å; L768-L772 PolarHBondContact O-N 2.93Å; Y769-L772 PolarHBondContact O-N 3.2Å; L772-L779 HydrophobicContact CB-CD1 3.95Å; L772-L779 HydrophobicContact CD1-CD1 3.77Å; L772-L779 HydrophobicContact CG-CD1 4.46Å; L772-L810 HydrophobicContact CD2-CD1 3.92Å; L772-L813 HydrophobicContact CB-CD2 3.95Å; L772-L813 HydrophobicContact CD2-CB 4.01Å; L772-L813 HydrophobicContact CD2-CD2 3.78Å; L772-L813 HydrophobicContact CD2-CG 3.71Å; L772-L813 HydrophobicContact CG-CD2 3.81Å; L772-L813 HydrophobicContact CG-CG 3.97Å; L772-F814 HydrophobicContact CD1-CD1 3.99Å; L772-F814 HydrophobicContact CD1-CE1 3.73Å; L772-F814 HydrophobicContact CD2-CD1 3.46Å; L772-F814 VanDerWaalsContact CD2-CD1 3.46Å; L772-F814 HydrophobicContact CD2-CD2 4.02Å; L772-F814 HydrophobicContact CD2-CE1 3.51Å; L772-F814 HydrophobicContact CD2-CE2 4.07Å; L772-F814 HydrophobicContact CD2-CG 3.72Å; L772-F814 HydrophobicContact CD2-CZ 3.82Å; L772-F814 HydrophobicContact CG-CD1 4.4Å; L772-F814 HydrophobicContact CG-CE1 4.26Å |
| 773 | L | 85.1 | Confident | 83.5 | Confident | 59 Ų | 59 | 38.2 Ų | 38.2 | 31% | 0.309 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -66.7 | -41.1 | -178.7 | -175.9 | 69.6 | 0 | 0 | 0 | 112.6 | Y769 T770 I771 L813 V1239 | Y769-L773 HydrophobicContact CE1-CD2 4.22Å; Y769-L773 WeakPolarHBondContact O-CB 3.48Å; Y769-L773 PolarHBondContact O-N 3.41Å; T770-L773 PolarHBondContact O-N 2.67Å; I771-L773 VanDerWaalsContact C-N 3.29Å; I771-L773 PolarHBondContact O-N 3.3Å; L773-L813 HydrophobicContact CB-CD2 3.89Å; L773-L813 HydrophobicContact CD1-CD1 3.83Å; L773-L813 HydrophobicContact CD1-CD2 4.31Å; L773-V1239 HydrophobicContact CD2-CB 4.42Å; L773-V1239 HydrophobicContact CD2-CG1 3.56Å; L773-V1239 HydrophobicContact CD2-CG2 4.28Å |
| 774 | K | 82.5 | Confident | 83.4 | Confident | 74 Ų | 74 | 38 Ų | 38 | 32% | 0.322 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -96.1 | -30.9 | -174.8 | -74.6 | -173.4 | 159 | -160.2 | 0 | 113.9 | A730 S731 S732 T770 I771 | A730-K774 WeakPolarHBondContact O-CD 3.43Å; S731-K774 PolarHBondContact O-NZ 2.79Å; S732-K774 PolarHBondContact O-NZ 3Å; T770-K774 PolarHBondContact O-N 3.48Å; T770-K774 VanDerWaalsContact O-N 3.15Å; I771-K774 PolarHBondContact O-N 2.68Å |
| 775 | Y | 84.4 | Confident | 82.9 | Confident | 55 Ų | 55 | 41.6 Ų | 41.6 | 22% | 0.216 | 21% | 0.213 | C | C | . | . | trans | -134.5 | 61.8 | -173.1 | -57.3 | -83 | 0 | 0 | 0 | 111.5 | L738 L742 I771 N777 S778 | L738-Y775 HydrophobicContact CD1-CE2 4.03Å; L742-Y775 HydrophobicContact CD1-CD1 4.37Å; L742-Y775 HydrophobicContact CD1-CD2 3.91Å; L742-Y775 HydrophobicContact CD1-CG 3.82Å; I771-Y775 CarbonylContact O-C 3.59Å; I771-Y775 WeakPolarHBondContact O-CA 3.42Å; I771-Y775 PolarHBondContact O-N 3.31Å; Y775-N777 PolarHBondContact O-N 3.24Å; Y775-N777 VanDerWaalsContact O-N 3.13Å; Y775-S778 WeakPolarHBondContact O-CB 3.35Å; Y775-S778 PolarHBondContact O-N 3.25Å; Y775-S778 PolarHBondContact O-OG 3.42Å | ||
| 776 | P | 77.8 | Confident | 82.7 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -59.3 | -31.4 | -172.9 | 22.9 | -34.1 | 0 | 0 | 0 | 113.7 | S778 | P776-S778 VanDerWaalsContact C-N 3.28Å; P776-S778 PolarHBondContact O-N 3.2Å |
| 777 | N | 78.7 | Confident | 82.7 | Confident | 160 Ų | 160 | 42 Ų | 42 | 86% | 0.856 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -79.6 | -3.6 | -178.9 | -60.9 | -20.4 | 0 | 0 | 0 | 114.1 | Y775 | Y775-N777 PolarHBondContact O-N 3.24Å; Y775-N777 VanDerWaalsContact O-N 3.13Å |
| 778 | S | 77.9 | Confident | 82.5 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 11% | 0.112 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -86.1 | -15.1 | -175.6 | 67.7 | 0 | 0 | 0 | 0 | 114.2 | P743 Y775 P776 | P743-S778 WeakPolarHBondContact CA-O 3.4Å; P743-S778 WeakPolarHBondContact CG-O 3.13Å; Y775-S778 WeakPolarHBondContact O-CB 3.35Å; Y775-S778 PolarHBondContact O-N 3.25Å; Y775-S778 PolarHBondContact O-OG 3.42Å; P776-S778 VanDerWaalsContact C-N 3.28Å; P776-S778 PolarHBondContact O-N 3.2Å |
| 779 | L | 79 | Confident | 82.2 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -89.8 | 116 | 179.8 | -73.5 | 141.3 | 0 | 0 | 0 | 109.6 | L768 I771 L772 I784 I787 | L768-L779 HydrophobicContact CD2-CD2 4.3Å; I771-L779 HydrophobicContact CG2-CD1 4.2Å; I771-L779 HydrophobicContact CG2-CG 4.38Å; L772-L779 HydrophobicContact CB-CD1 3.95Å; L772-L779 HydrophobicContact CD1-CD1 3.77Å; L772-L779 HydrophobicContact CG-CD1 4.46Å; L779-I784 HydrophobicContact CB-CD1 4.06Å; L779-I784 HydrophobicContact CB-CG1 3.9Å; L779-I787 HydrophobicContact CD2-CD1 4.35Å |
| 780 | D | 73.2 | Confident | 82.1 | Confident | 78 Ų | 78 | 48.2 Ų | 48.2 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | trans | -61.4 | 146.6 | 173.1 | 178.6 | 31.2 | 0 | 0 | 0 | 110.9 | N782 C783 I784 | D780-N782 PolarHBondContact O-N 2.65Å; D780-N782 WeakPolarHBondContact OD2-CB 3.5Å; D780-N782 PolarHBondContact OD2-ND2 2.98Å; D780-C783 HydrophobicContact CB-CB 4.49Å; D780-C783 WeakPolarHBondContact O-CA 3.32Å; D780-C783 VanDerWaalsContact O-CB 3.29Å; D780-C783 WeakPolarHBondContact O-CB 3.44Å; D780-C783 PolarHBondContact O-N 3.36Å; D780-I784 PolarHBondContact O-N 3.27Å | ||
| 781 | N | 76 | Confident | 82.1 | Confident | 100 Ų | 100 | 47.9 Ų | 47.9 | 54% | 0.535 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.6 | -36.9 | 178.6 | -74 | -28.2 | 0 | 0 | 0 | 111.7 | C783 I784 M785 | N781-C783 VanDerWaalsContact C-N 3.34Å; N781-C783 PolarHBondContact O-N 3.47Å; N781-I784 PolarHBondContact O-N 2.95Å; N781-M785 VanDerWaalsContact O-CG 3.23Å; N781-M785 WeakPolarHBondContact O-CG 3.36Å; N781-M785 PolarHBondContact O-N 3.39Å |
| 782 | N | 78.9 | Confident | 82 | Confident | 103 Ų | 103 | 48.8 Ų | 48.8 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.7 | -37.5 | 176.2 | -60.9 | -53.1 | 0 | 0 | 0 | 112.4 | D780 M785 N786 | D780-N782 PolarHBondContact O-N 2.65Å; D780-N782 WeakPolarHBondContact OD2-CB 3.5Å; D780-N782 PolarHBondContact OD2-ND2 2.98Å; N782-M785 PolarHBondContact O-N 2.92Å; N782-N786 WeakPolarHBondContact O-CB 3.49Å; N782-N786 PolarHBondContact O-N 2.61Å; N782-N786 PolarHBondContact O-ND2 3.03Å |
| 783 | C | 81.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -46.2 | 176.4 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | S746 D780 N781 M785 N786 I787 | S746-C783 PolarHBondContact O-SG 2.93Å; D780-C783 HydrophobicContact CB-CB 4.49Å; D780-C783 WeakPolarHBondContact O-CA 3.32Å; D780-C783 VanDerWaalsContact O-CB 3.29Å; D780-C783 WeakPolarHBondContact O-CB 3.44Å; D780-C783 PolarHBondContact O-N 3.36Å; N781-C783 VanDerWaalsContact C-N 3.34Å; N781-C783 PolarHBondContact O-N 3.47Å; C783-M785 VanDerWaalsContact C-N 3.35Å; C783-M785 PolarHBondContact O-N 3.12Å; C783-N786 PolarHBondContact O-N 3.33Å; C783-I787 VanDerWaalsContact O-CG1 3.29Å; C783-I787 WeakPolarHBondContact O-CG1 3.45Å; C783-I787 PolarHBondContact O-N 3.25Å |
| 784 | I | 81.6 | Confident | 81.7 | Confident | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.3 | -48.1 | 176 | -62.7 | 174.1 | 0 | 0 | 0 | 110.4 | L779 D780 N781 N786 I787 L788 F814 L821 | L779-I784 HydrophobicContact CB-CD1 4.06Å; L779-I784 HydrophobicContact CB-CG1 3.9Å; D780-I784 PolarHBondContact O-N 3.27Å; N781-I784 PolarHBondContact O-N 2.95Å; I784-N786 VanDerWaalsContact C-N 3.33Å; I784-N786 PolarHBondContact O-N 2.91Å; I784-I787 PolarHBondContact O-N 3.45Å; I784-L788 HydrophobicContact CG2-CD1 3.74Å; I784-L788 HydrophobicContact CG2-CG 4.26Å; I784-L788 WeakPolarHBondContact O-CB 3.4Å; I784-L788 VanDerWaalsContact O-CG 3.29Å; I784-L788 WeakPolarHBondContact O-CG 3.42Å; I784-L788 PolarHBondContact O-N 3.48Å; I784-F814 HydrophobicContact CD1-CE1 4.35Å; I784-F814 HydrophobicContact CG1-CE1 4.08Å; I784-F814 HydrophobicContact CG1-CZ 4.49Å; I784-F814 HydrophobicContact CG2-CD1 4.4Å; I784-F814 HydrophobicContact CG2-CE1 3.92Å; I784-F814 HydrophobicContact CG2-CZ 4.28Å; I784-L821 HydrophobicContact CD1-CD1 3.86Å; I784-L821 HydrophobicContact CD1-CD2 4.31Å; I784-L821 HydrophobicContact CG2-CD1 4.11Å |
| 785 | M | 82.4 | Confident | 81.5 | Confident | 76 Ų | 76 | 49.9 Ų | 49.9 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 178.1 | -68.1 | -60.4 | -73.7 | 0 | 0 | 112 | N781 N782 C783 L788 N789 I828 | N781-M785 VanDerWaalsContact O-CG 3.23Å; N781-M785 WeakPolarHBondContact O-CG 3.36Å; N781-M785 PolarHBondContact O-N 3.39Å; N782-M785 PolarHBondContact O-N 2.92Å; C783-M785 VanDerWaalsContact C-N 3.35Å; C783-M785 PolarHBondContact O-N 3.12Å; M785-L788 PolarHBondContact O-N 2.89Å; M785-N789 VanDerWaalsContact O-CB 3.28Å; M785-N789 WeakPolarHBondContact O-CB 3.47Å; M785-N789 PolarHBondContact O-N 2.87Å; M785-N789 PolarHBondContact O-ND2 3.26Å; M785-N789 VanDerWaalsContact O-ND2 3.16Å; M785-I828 HydrophobicContact CE-CD1 3.86Å; M785-I828 HydrophobicContact SD-CD1 3.59Å; M785-I828 VanDerWaalsContact SD-CD1 3.59Å |
| 786 | N | 84.1 | Confident | 80.6 | Confident | 75 Ų | 75 | 52.3 Ų | 52.3 | 40% | 0.401 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 175.2 | -73.7 | -13.2 | 0 | 0 | 0 | 112.2 | N782 C783 I784 N789 L790 | N782-N786 WeakPolarHBondContact O-CB 3.49Å; N782-N786 PolarHBondContact O-N 2.61Å; N782-N786 PolarHBondContact O-ND2 3.03Å; C783-N786 PolarHBondContact O-N 3.33Å; I784-N786 VanDerWaalsContact C-N 3.33Å; I784-N786 PolarHBondContact O-N 2.91Å; N786-N789 PolarHBondContact O-N 3.29Å; N786-L790 WeakPolarHBondContact O-CG 3.42Å; N786-L790 PolarHBondContact O-N 3.03Å; N786-L790 VanDerWaalsContact O-N 3.14Å |
| 787 | I | 86.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -50.2 | 176.7 | -68.8 | 166.5 | 0 | 0 | 0 | 109.7 | L753 L768 L779 C783 I784 N789 L790 M791 L810 F814 | L753-I787 HydrophobicContact CD1-CG1 4.22Å; L753-I787 HydrophobicContact CD1-CG2 4.16Å; L768-I787 HydrophobicContact CD1-CD1 3.97Å; L768-I787 HydrophobicContact CD1-CG1 4.4Å; L768-I787 HydrophobicContact CD2-CD1 4.07Å; L779-I787 HydrophobicContact CD2-CD1 4.35Å; C783-I787 VanDerWaalsContact O-CG1 3.29Å; C783-I787 WeakPolarHBondContact O-CG1 3.45Å; C783-I787 PolarHBondContact O-N 3.25Å; I784-I787 PolarHBondContact O-N 3.45Å; I787-N789 PolarHBondContact O-N 2.98Å; I787-L790 CarbonylContact O-C 3.49Å; I787-L790 PolarHBondContact O-N 3.17Å; I787-L790 VanDerWaalsContact O-N 3.1Å; I787-M791 HydrophobicContact CG2-CE 3.36Å; I787-M791 WeakPolarHBondContact O-CG 3.49Å; I787-M791 PolarHBondContact O-N 3.23Å; I787-L810 HydrophobicContact CG2-CD2 4.18Å; I787-F814 HydrophobicContact CG2-CE2 4.21Å |
| 788 | L | 83 | Confident | 79.2 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.4 | -36.3 | -179.6 | -67.1 | 173.4 | 0 | 0 | 0 | 112.7 | I784 M785 L790 M791 P792 F814 V825 I828 | I784-L788 HydrophobicContact CG2-CD1 3.74Å; I784-L788 HydrophobicContact CG2-CG 4.26Å; I784-L788 WeakPolarHBondContact O-CB 3.4Å; I784-L788 VanDerWaalsContact O-CG 3.29Å; I784-L788 WeakPolarHBondContact O-CG 3.42Å; I784-L788 PolarHBondContact O-N 3.48Å; M785-L788 PolarHBondContact O-N 2.89Å; L788-L790 VanDerWaalsContact C-N 3.26Å; L788-L790 PolarHBondContact O-N 3.4Å; L788-M791 HydrophobicContact CD2-CG 4.49Å; L788-M791 WeakPolarHBondContact O-CB 3.45Å; L788-M791 PolarHBondContact O-N 3.32Å; L788-P792 WeakPolarHBondContact O-CD 3.37Å; L788-F814 HydrophobicContact CD2-CD2 4.2Å; L788-V825 HydrophobicContact CD1-CB 4.43Å; L788-V825 HydrophobicContact CD1-CG1 4.39Å; L788-V825 HydrophobicContact CD1-CG2 3.88Å; L788-V825 HydrophobicContact CD2-CG1 4.13Å; L788-I828 HydrophobicContact CB-CD1 4.38Å; L788-I828 HydrophobicContact CB-CG2 4.31Å; L788-I828 HydrophobicContact CD1-CD1 3.57Å |
| 789 | N | 84.6 | Confident | 78.8 | Confident | 95 Ų | 95 | 57.1 Ų | 57.1 | 51% | 0.508 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67 | -27.2 | 174.4 | -72.9 | -22.7 | 0 | 0 | 0 | 112.7 | M785 N786 I787 | M785-N789 VanDerWaalsContact O-CB 3.28Å; M785-N789 WeakPolarHBondContact O-CB 3.47Å; M785-N789 PolarHBondContact O-N 2.87Å; M785-N789 PolarHBondContact O-ND2 3.26Å; M785-N789 VanDerWaalsContact O-ND2 3.16Å; N786-N789 PolarHBondContact O-N 3.29Å; I787-N789 PolarHBondContact O-N 2.98Å |
| 790 | L | 86.9 | Confident | 78.8 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 18% | 0.183 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -86.2 | -22.6 | 174.8 | -68.3 | 173.4 | 0 | 0 | 0 | 112.8 | L753 N786 I787 L788 K793 L794 | L753-L790 HydrophobicContact CB-CD1 4.08Å; N786-L790 WeakPolarHBondContact O-CG 3.42Å; N786-L790 PolarHBondContact O-N 3.03Å; N786-L790 VanDerWaalsContact O-N 3.14Å; I787-L790 CarbonylContact O-C 3.49Å; I787-L790 PolarHBondContact O-N 3.17Å; I787-L790 VanDerWaalsContact O-N 3.1Å; L788-L790 VanDerWaalsContact C-N 3.26Å; L788-L790 PolarHBondContact O-N 3.4Å; L790-K793 WeakPolarHBondContact O-CB 3.31Å; L790-K793 PolarHBondContact O-N 3.32Å; L790-L794 PolarHBondContact O-N 3.15Å |
| 791 | M | 86.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.1 | -45.5 | -177.8 | -78.7 | -58.1 | 129.5 | 0 | 0 | 114 | L753 L765 I787 L788 K793 L794 L795 A807 L810 F834 | L753-M791 HydrophobicContact CD1-CE 4.03Å; L765-M791 HydrophobicContact CD2-CE 3.84Å; I787-M791 HydrophobicContact CG2-CE 3.36Å; I787-M791 WeakPolarHBondContact O-CG 3.49Å; I787-M791 PolarHBondContact O-N 3.23Å; L788-M791 HydrophobicContact CD2-CG 4.49Å; L788-M791 WeakPolarHBondContact O-CB 3.45Å; L788-M791 PolarHBondContact O-N 3.32Å; M791-K793 VanDerWaalsContact C-N 3.26Å; M791-K793 PolarHBondContact O-N 2.89Å; M791-L794 HydrophobicContact CE-CD1 3.65Å; M791-L794 CarbonylContact O-C 3.56Å; M791-L794 WeakPolarHBondContact O-CA 3.18Å; M791-L794 WeakPolarHBondContact O-CB 3.33Å; M791-L794 PolarHBondContact O-N 3.44Å; M791-L794 HydrophobicContact SD-CD1 4.09Å; M791-L795 WeakPolarHBondContact O-CG 3.45Å; M791-L795 PolarHBondContact O-N 2.9Å; M791-A807 HydrophobicContact SD-CB 3.69Å; M791-L810 HydrophobicContact CE-CD2 3.93Å; M791-F834 HydrophobicContact CB-CD2 4.42Å; M791-F834 HydrophobicContact CB-CE2 3.53Å; M791-F834 HydrophobicContact CB-CZ 4.08Å; M791-F834 HydrophobicContact CG-CE2 4.37Å |
| 792 | P | 84.6 | Confident | 79.5 | Confident | 18 Ų | 18 | 53 Ų | 53 | 12% | 0.117 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53 | -45 | 175.2 | -27.7 | 33.9 | 0 | 0 | 0 | 112 | L788 L794 L795 I796 F834 | L788-P792 WeakPolarHBondContact O-CD 3.37Å; P792-L794 VanDerWaalsContact C-N 3.26Å; P792-L794 PolarHBondContact O-N 3.34Å; P792-L795 PolarHBondContact O-N 2.92Å; P792-I796 WeakPolarHBondContact O-CG1 3.38Å; P792-I796 PolarHBondContact O-N 3.36Å; P792-F834 HydrophobicContact CG-CB 4.16Å; P792-F834 HydrophobicContact CG-CD2 3.74Å; P792-F834 HydrophobicContact CG-CE2 4.49Å; P792-F834 HydrophobicContact CG-CG 4.21Å |
| 793 | K | 83.3 | Confident | 79.8 | Confident | 150 Ų | 150 | 48.1 Ų | 48.1 | 65% | 0.652 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.5 | -30.9 | 177.4 | -63.5 | -176.9 | 179.7 | 178.8 | 0 | 113.3 | L790 M791 | L790-K793 WeakPolarHBondContact O-CB 3.31Å; L790-K793 PolarHBondContact O-N 3.32Å; M791-K793 VanDerWaalsContact C-N 3.26Å; M791-K793 PolarHBondContact O-N 2.89Å |
| 794 | L | 83.2 | Confident | 80 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -79.3 | -20.6 | 176.2 | -60.2 | 175.8 | 0 | 0 | 0 | 112.9 | L753 L765 L790 M791 P792 T803 T804 A807 | L753-L794 HydrophobicContact CB-CD1 4.34Å; L753-L794 HydrophobicContact CD1-CD1 4.29Å; L753-L794 HydrophobicContact CD2-CD1 4.45Å; L765-L794 HydrophobicContact CD2-CD1 4.17Å; L790-L794 PolarHBondContact O-N 3.15Å; M791-L794 HydrophobicContact CE-CD1 3.65Å; M791-L794 CarbonylContact O-C 3.56Å; M791-L794 WeakPolarHBondContact O-CA 3.18Å; M791-L794 WeakPolarHBondContact O-CB 3.33Å; M791-L794 PolarHBondContact O-N 3.44Å; M791-L794 HydrophobicContact SD-CD1 4.09Å; P792-L794 VanDerWaalsContact C-N 3.26Å; P792-L794 PolarHBondContact O-N 3.34Å; L794-T803 HydrophobicContact CB-CG2 4.46Å; L794-T803 HydrophobicContact CD2-CG2 4.11Å; L794-T804 PolarHBondContact O-OG1 3.31Å; L794-A807 HydrophobicContact CB-CB 4.26Å |
| 795 | L | 78.3 | Confident | 80.2 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -90.9 | -25.6 | 178.1 | -64.9 | 172.8 | 0 | 0 | 0 | 113.3 | M791 P792 T797 T804 A807 L808 F834 C837 L838 | M791-L795 WeakPolarHBondContact O-CG 3.45Å; M791-L795 PolarHBondContact O-N 2.9Å; P792-L795 PolarHBondContact O-N 2.92Å; L795-T797 PolarHBondContact O-N 3.02Å; L795-T804 HydrophobicContact CD2-CG2 3.88Å; L795-A807 HydrophobicContact CD2-CB 4.06Å; L795-L808 HydrophobicContact CD2-CD2 3.76Å; L795-L808 HydrophobicContact CD2-CG 3.87Å; L795-F834 HydrophobicContact CD1-CD1 4.28Å; L795-F834 HydrophobicContact CD1-CE1 3.59Å; L795-F834 HydrophobicContact CD1-CE2 4.45Å; L795-F834 HydrophobicContact CD1-CZ 3.69Å; L795-C837 HydrophobicContact CB-CB 4.07Å; L795-L838 HydrophobicContact CD1-CD2 4.03Å |
| 796 | I | 64.7 | Low | 80.4 | Confident | 107 Ų | 107 | 46.3 Ų | 46.3 | 55% | 0.549 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -62.2 | -34 | -174.1 | -75.1 | 164.5 | 0 | 0 | 0 | 113.5 | P792 E798 C837 | P792-I796 WeakPolarHBondContact O-CG1 3.38Å; P792-I796 PolarHBondContact O-N 3.36Å; I796-E798 PolarHBondContact O-N 3.47Å; I796-C837 WeakPolarHBondContact CG1-SG 3.29Å |
| 797 | T | 63.2 | Low | 80.6 | Confident | 50 Ų | 50 | 42.8 Ų | 42.8 | 31% | 0.307 | 21% | 0.211 | S | C | . | . | trans | -86.5 | 105.6 | -169.5 | 42.3 | 0 | 0 | 0 | 0 | 112.7 | L795 H799 D800 | L795-T797 PolarHBondContact O-N 3.02Å; T797-H799 PolarHBondContact O-N 2.9Å; T797-H799 VanDerWaalsContact O-N 3.1Å; T797-D800 PolarHBondContact O-N 3.16Å; T797-D800 VanDerWaalsContact O-N 3.11Å | ||
| 798 | E | 64.4 | Low | 80.7 | Confident | 100 Ų | 100 | 42.8 Ų | 42.8 | 47% | 0.467 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -54.4 | -23.8 | 163.1 | -66.4 | -166 | 143.1 | 0 | 0 | 112.4 | I796 D800 S844 L846 | I796-E798 PolarHBondContact O-N 3.47Å; E798-D800 VanDerWaalsContact C-N 3.32Å; E798-D800 PolarHBondContact O-N 3.22Å; E798-S844 VanDerWaalsContact OE1-CB 3.28Å; E798-S844 WeakPolarHBondContact OE1-CB 3.23Å; E798-S844 PolarHBondContact OE1-OG 3.02Å; E798-L846 HydrophobicContact CB-CD1 4.13Å |
| 799 | H | 69.8 | Low | 81 | Confident | 181 Ų | 181 | 43.5 Ų | 43.5 | 84% | 0.838 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -70 | -17.7 | 177.5 | -63.1 | -56.6 | 0 | 0 | 0 | 115.1 | T797 | T797-H799 PolarHBondContact O-N 2.9Å; T797-H799 VanDerWaalsContact O-N 3.1Å |
| 800 | D | 78.8 | Confident | 81.2 | Confident | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.053 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -133.6 | 59.5 | -177.2 | -165.5 | 10.1 | 0 | 0 | 0 | 113.3 | R758 R761 T797 E798 Q802 T803 T804 | R758-D800 IonicContact CZ-OD1 3.98Å; R758-D800 VanDerWaalsContact CZ-OD1 3.26Å; R758-D800 VanDerWaalsContact NE-CG 3.29Å; R758-D800 IonicContact NE-OD1 2.68Å; R758-D800 PolarHBondContact NE-OD1 3.44Å; R758-D800 IonicContact NE-OD2 3.14Å; R758-D800 PolarHBondContact NE-OD2 3.48Å; R758-D800 IonicContact NH2-OD1 3.72Å; R758-D800 PolarHBondContact NH2-OD1 3.21Å; R761-D800 IonicContact NH2-OD2 2.81Å; T797-D800 PolarHBondContact O-N 3.16Å; T797-D800 VanDerWaalsContact O-N 3.11Å; E798-D800 VanDerWaalsContact C-N 3.32Å; E798-D800 PolarHBondContact O-N 3.22Å; D800-Q802 PolarHBondContact O-N 3.31Å; D800-T803 PolarHBondContact O-N 3.38Å; D800-T803 PolarHBondContact OD1-N 2.96Å; D800-T803 PolarHBondContact OD1-OG1 3.42Å; D800-T803 VanDerWaalsContact OD2-CB 3.26Å; D800-T803 WeakPolarHBondContact OD2-CB 3.17Å; D800-T803 PolarHBondContact OD2-OG1 2.9Å; D800-T804 PolarHBondContact O-N 3.33Å; D800-T804 VanDerWaalsContact O-N 3.11Å; D800-T804 PolarHBondContact O-OG1 3.36Å |
| 801 | L | 82.9 | Confident | 81.3 | Confident | 48 Ų | 48 | 37.4 Ų | 37.4 | 25% | 0.251 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -56.3 | -24.5 | -178.9 | -164.6 | 68.4 | 0 | 0 | 0 | 113.7 | Q805 L841 L846 A851 | L801-Q805 WeakPolarHBondContact O-CB 3.35Å; L801-Q805 PolarHBondContact O-N 3.3Å; L801-L841 HydrophobicContact CD1-CD1 4.28Å; L801-L846 VanDerWaalsContact CD2-O 3.29Å; L801-L846 WeakPolarHBondContact CD2-O 3.08Å; L801-A851 HydrophobicContact CD1-CB 3.56Å; L801-A851 HydrophobicContact CD2-CB 3.89Å; L801-A851 HydrophobicContact CG-CB 3.48Å; L801-A851 VanDerWaalsContact CG-CB 3.48Å |
| 802 | Q | 80.4 | Confident | 81.4 | Confident | 44 Ų | 44 | 37.4 Ų | 37.4 | 21% | 0.206 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.2 | -43.7 | 176.1 | -69.2 | 179.7 | -13.9 | 0 | 0 | 112.3 | M762 D800 T804 Q805 L806 | M762-Q802 HydrophobicContact CE-CB 3.81Å; M762-Q802 HydrophobicContact SD-CB 4.2Å; D800-Q802 PolarHBondContact O-N 3.31Å; Q802-T804 VanDerWaalsContact C-N 3.34Å; Q802-Q805 PolarHBondContact O-N 3.39Å; Q802-L806 WeakPolarHBondContact O-CG 3.22Å; Q802-L806 PolarHBondContact O-N 2.84Å |
| 803 | T | 84.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66 | -42.2 | 173.4 | -63.4 | 0 | 0 | 0 | 0 | 110.1 | M762 L765 L794 D800 Q805 L806 A807 | M762-T803 WeakPolarHBondContact CG-OG1 3.5Å; L765-T803 HydrophobicContact CD1-CG2 3.68Å; L794-T803 HydrophobicContact CB-CG2 4.46Å; L794-T803 HydrophobicContact CD2-CG2 4.11Å; D800-T803 PolarHBondContact O-N 3.38Å; D800-T803 PolarHBondContact OD1-N 2.96Å; D800-T803 PolarHBondContact OD1-OG1 3.42Å; D800-T803 VanDerWaalsContact OD2-CB 3.26Å; D800-T803 WeakPolarHBondContact OD2-CB 3.17Å; D800-T803 PolarHBondContact OD2-OG1 2.9Å; T803-Q805 PolarHBondContact O-N 3.22Å; T803-L806 PolarHBondContact O-N 2.93Å; T803-A807 WeakPolarHBondContact O-CB 3.07Å; T803-A807 PolarHBondContact O-N 3.1Å |
| 804 | T | 86.4 | Confident | 81.8 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.8 | -46.3 | 175.4 | -54.6 | 0 | 0 | 0 | 0 | 112 | L794 L795 D800 Q802 L806 A807 L808 L841 | L794-T804 PolarHBondContact O-OG1 3.31Å; L795-T804 HydrophobicContact CD2-CG2 3.88Å; D800-T804 PolarHBondContact O-N 3.33Å; D800-T804 VanDerWaalsContact O-N 3.11Å; D800-T804 PolarHBondContact O-OG1 3.36Å; Q802-T804 VanDerWaalsContact C-N 3.34Å; T804-L806 VanDerWaalsContact C-N 3.35Å; T804-L806 PolarHBondContact O-N 3.17Å; T804-A807 PolarHBondContact O-N 2.92Å; T804-L808 HydrophobicContact CG2-CD1 4.19Å; T804-L808 HydrophobicContact CG2-CG 4.43Å; T804-L808 VanDerWaalsContact O-CG 3.29Å; T804-L808 WeakPolarHBondContact O-CG 3.3Å; T804-L808 PolarHBondContact O-N 3.02Å; T804-L841 HydrophobicContact CG2-CD1 4.17Å; T804-L841 HydrophobicContact CG2-CD2 3.32Å; T804-L841 HydrophobicContact CG2-CG 4.42Å |
| 805 | Q | 86.4 | Confident | 81.9 | Confident | 41 Ų | 41 | 30 Ų | 30 | 19% | 0.192 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -53.6 | -51.1 | 175.6 | 174.5 | -165.7 | -15.2 | 0 | 0 | 111.5 | L801 Q802 T803 A807 L808 H809 Q850 A851 | L801-Q805 WeakPolarHBondContact O-CB 3.35Å; L801-Q805 PolarHBondContact O-N 3.3Å; Q802-Q805 PolarHBondContact O-N 3.39Å; T803-Q805 PolarHBondContact O-N 3.22Å; Q805-A807 VanDerWaalsContact C-N 3.34Å; Q805-A807 PolarHBondContact O-N 3Å; Q805-L808 PolarHBondContact O-N 3.22Å; Q805-H809 PolarHBondContact O-CD2 3.07Å; Q805-H809 PolarHBondContact O-N 3.31Å; Q805-H809 VanDerWaalsContact O-N 3.1Å; Q805-Q850 VanDerWaalsContact CD-CB 3.43Å; Q805-Q850 HydrophobicContact CG-CB 4.31Å; Q805-A851 HydrophobicContact CB-CB 4.16Å |
| 806 | L | 85.1 | Confident | 82.2 | Confident | 6 Ų | 6 | 34 Ų | 34 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.2 | -38.3 | -177.8 | -64.3 | 171.4 | 0 | 0 | 0 | 111.6 | M762 L765 R766 Q802 T803 T804 H809 L810 F1242 | M762-L806 HydrophobicContact CB-CD1 4.02Å; M762-L806 HydrophobicContact CE-CD1 4.48Å; M762-L806 HydrophobicContact CG-CD1 4.26Å; M762-L806 WeakPolarHBondContact O-CD1 3.46Å; L765-L806 HydrophobicContact CB-CB 3.84Å; L765-L806 HydrophobicContact CB-CD1 4.29Å; L765-L806 HydrophobicContact CD1-CB 3.86Å; L765-L806 HydrophobicContact CG-CB 4.47Å; R766-L806 HydrophobicContact CG-CD1 3.98Å; R766-L806 HydrophobicContact CG-CD2 3.74Å; Q802-L806 WeakPolarHBondContact O-CG 3.22Å; Q802-L806 PolarHBondContact O-N 2.84Å; T803-L806 PolarHBondContact O-N 2.93Å; T804-L806 VanDerWaalsContact C-N 3.35Å; T804-L806 PolarHBondContact O-N 3.17Å; L806-H809 PolarHBondContact O-N 3.15Å; L806-L810 WeakPolarHBondContact O-CB 3.38Å; L806-L810 PolarHBondContact O-N 3.2Å; L806-F1242 HydrophobicContact CD2-CD1 4.46Å; L806-F1242 HydrophobicContact CD2-CE1 3.58Å; L806-F1242 HydrophobicContact CD2-CZ 4.18Å |
| 807 | A | 89.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63 | -41.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | M791 L794 L795 T803 T804 Q805 L810 T811 | M791-A807 HydrophobicContact SD-CB 3.69Å; L794-A807 HydrophobicContact CB-CB 4.26Å; L795-A807 HydrophobicContact CD2-CB 4.06Å; T803-A807 WeakPolarHBondContact O-CB 3.07Å; T803-A807 PolarHBondContact O-N 3.1Å; T804-A807 PolarHBondContact O-N 2.92Å; Q805-A807 VanDerWaalsContact C-N 3.34Å; Q805-A807 PolarHBondContact O-N 3Å; A807-L810 PolarHBondContact O-N 3.02Å; A807-T811 WeakPolarHBondContact O-CB 3.45Å; A807-T811 PolarHBondContact O-N 3.47Å; A807-T811 PolarHBondContact O-OG1 2.87Å |
| 808 | L | 89.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 176.2 | -71.8 | 170.5 | 0 | 0 | 0 | 111.8 | L795 T804 Q805 T811 S812 L838 L841 M855 L858 | L795-L808 HydrophobicContact CD2-CD2 3.76Å; L795-L808 HydrophobicContact CD2-CG 3.87Å; T804-L808 HydrophobicContact CG2-CD1 4.19Å; T804-L808 HydrophobicContact CG2-CG 4.43Å; T804-L808 VanDerWaalsContact O-CG 3.29Å; T804-L808 WeakPolarHBondContact O-CG 3.3Å; T804-L808 PolarHBondContact O-N 3.02Å; Q805-L808 PolarHBondContact O-N 3.22Å; L808-T811 PolarHBondContact O-N 3.38Å; L808-S812 WeakPolarHBondContact O-CB 3.45Å; L808-S812 PolarHBondContact O-N 2.73Å; L808-S812 PolarHBondContact O-OG 2.73Å; L808-L838 HydrophobicContact CD2-CD2 3.78Å; L808-L841 HydrophobicContact CD1-CD2 3.92Å; L808-L841 HydrophobicContact CD2-CD2 4.35Å; L808-L841 HydrophobicContact CG-CD2 4.48Å; L808-M855 HydrophobicContact CD1-CB 4.08Å; L808-M855 HydrophobicContact CD1-CE 4.46Å; L808-M855 HydrophobicContact CD2-CE 4.21Å; L808-M855 HydrophobicContact CD2-SD 4.06Å; L808-L858 HydrophobicContact CD2-CD2 3.75Å |
| 809 | H | 88.1 | Confident | 84.2 | Confident | 18 Ų | 18 | 32.6 Ų | 32.6 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 176.9 | -79 | -66.9 | 0 | 0 | 0 | 112.5 | Y769 Q805 L806 S812 L813 G854 F1242 | Y769-H809 HydrophobicContact CD2-CB 4.24Å; Y769-H809 HydrophobicContact CE2-CB 3.94Å; Q805-H809 PolarHBondContact O-CD2 3.07Å; Q805-H809 PolarHBondContact O-N 3.31Å; Q805-H809 VanDerWaalsContact O-N 3.1Å; L806-H809 PolarHBondContact O-N 3.15Å; H809-S812 WeakPolarHBondContact O-CB 3.45Å; H809-S812 PolarHBondContact O-N 3.19Å; H809-L813 PolarHBondContact O-N 2.74Å; H809-G854 VanDerWaalsContact CE1-CA 3.47Å; H809-G854 WeakPolarHBondContact CE1-CA 3.49Å; H809-G854 WeakPolarHBondContact NE2-CA 3.36Å; H809-F1242 HydrophobicContact CB-CE1 4.4Å; H809-F1242 HydrophobicContact CB-CE2 4.2Å; H809-F1242 HydrophobicContact CB-CZ 3.55Å; H809-F1242 AromaticContact CD2-CZ 3.72Å; H809-F1242 AromaticContact CG-CZ 3.65Å |
| 810 | L | 88.7 | Confident | 84.5 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.7 | -44 | 176 | -176.9 | 63 | 0 | 0 | 0 | 111.4 | L765 L768 L772 I787 M791 L806 A807 S812 L813 F814 | L765-L810 HydrophobicContact CD2-CD2 3.91Å; L768-L810 HydrophobicContact CB-CD1 4.45Å; L768-L810 HydrophobicContact CB-CD2 4.23Å; L772-L810 HydrophobicContact CD2-CD1 3.92Å; I787-L810 HydrophobicContact CG2-CD2 4.18Å; M791-L810 HydrophobicContact CE-CD2 3.93Å; L806-L810 WeakPolarHBondContact O-CB 3.38Å; L806-L810 PolarHBondContact O-N 3.2Å; A807-L810 PolarHBondContact O-N 3.02Å; L810-S812 VanDerWaalsContact C-N 3.34Å; L810-S812 PolarHBondContact O-N 3.46Å; L810-L813 PolarHBondContact O-N 3.33Å; L810-F814 HydrophobicContact CD1-CD2 4.49Å; L810-F814 HydrophobicContact CD1-CE2 4.01Å; L810-F814 HydrophobicContact CD2-CE2 4.27Å; L810-F814 HydrophobicContact CG-CD2 4.15Å; L810-F814 HydrophobicContact CG-CE2 3.75Å; L810-F814 VanDerWaalsContact O-CD2 3.22Å; L810-F814 WeakPolarHBondContact O-CD2 3.35Å; L810-F814 PolarHBondContact O-N 3.14Å |
| 811 | T | 88.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 175.6 | -53.1 | 0 | 0 | 0 | 0 | 111.6 | A807 L808 L813 F814 L815 V829 F834 L858 | A807-T811 WeakPolarHBondContact O-CB 3.45Å; A807-T811 PolarHBondContact O-N 3.47Å; A807-T811 PolarHBondContact O-OG1 2.87Å; L808-T811 PolarHBondContact O-N 3.38Å; T811-L813 VanDerWaalsContact C-N 3.32Å; T811-L813 PolarHBondContact O-N 3.13Å; T811-F814 WeakPolarHBondContact O-CB 3.44Å; T811-F814 PolarHBondContact O-N 3.18Å; T811-L815 PolarHBondContact O-N 2.9Å; T811-L815 VanDerWaalsContact O-N 3.09Å; T811-V829 HydrophobicContact CG2-CG2 4.05Å; T811-F834 HydrophobicContact CG2-CE1 4.35Å; T811-F834 HydrophobicContact CG2-CZ 3.73Å; T811-L858 HydrophobicContact CG2-CD1 3.65Å |
| 812 | S | 89.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 175.8 | -53 | 0 | 0 | 0 | 0 | 111.1 | L808 H809 L810 F814 L815 E816 L858 | L808-S812 WeakPolarHBondContact O-CB 3.45Å; L808-S812 PolarHBondContact O-N 2.73Å; L808-S812 PolarHBondContact O-OG 2.73Å; H809-S812 WeakPolarHBondContact O-CB 3.45Å; H809-S812 PolarHBondContact O-N 3.19Å; L810-S812 VanDerWaalsContact C-N 3.34Å; L810-S812 PolarHBondContact O-N 3.46Å; S812-F814 VanDerWaalsContact C-N 3.32Å; S812-F814 PolarHBondContact O-N 2.99Å; S812-L815 PolarHBondContact O-N 3.16Å; S812-L815 VanDerWaalsContact O-N 3.12Å; S812-E816 VanDerWaalsContact O-CG 3.31Å; S812-E816 WeakPolarHBondContact O-CG 3.43Å; S812-E816 PolarHBondContact O-N 3.11Å; S812-L858 WeakPolarHBondContact OG-CA 3.39Å; S812-L858 WeakPolarHBondContact OG-CB 3.32Å; S812-L858 PolarHBondContact OG-N 2.97Å |
| 813 | L | 87.6 | Confident | 84.7 | Confident | 13 Ų | 13 | 27 Ų | 27 | 7% | 0.068 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.4 | -35.6 | 178.6 | -173.8 | 62 | 0 | 0 | 0 | 112.3 | Y769 L772 L773 H809 L810 T811 E816 S817 | Y769-L813 HydrophobicContact CD2-CB 4.49Å; Y769-L813 HydrophobicContact CD2-CD2 3.91Å; Y769-L813 HydrophobicContact CE1-CD2 4.46Å; Y769-L813 HydrophobicContact CE2-CB 4.08Å; Y769-L813 HydrophobicContact CE2-CD2 3.78Å; Y769-L813 HydrophobicContact CE2-CG 4.49Å; Y769-L813 HydrophobicContact CG-CD2 4.3Å; L772-L813 HydrophobicContact CB-CD2 3.95Å; L772-L813 HydrophobicContact CD2-CB 4.01Å; L772-L813 HydrophobicContact CD2-CD2 3.78Å; L772-L813 HydrophobicContact CD2-CG 3.71Å; L772-L813 HydrophobicContact CG-CD2 3.81Å; L772-L813 HydrophobicContact CG-CG 3.97Å; L773-L813 HydrophobicContact CB-CD2 3.89Å; L773-L813 HydrophobicContact CD1-CD1 3.83Å; L773-L813 HydrophobicContact CD1-CD2 4.31Å; H809-L813 PolarHBondContact O-N 2.74Å; L810-L813 PolarHBondContact O-N 3.33Å; T811-L813 VanDerWaalsContact C-N 3.32Å; T811-L813 PolarHBondContact O-N 3.13Å; L813-E816 PolarHBondContact O-N 3.44Å; L813-S817 PolarHBondContact O-N 3.32Å; L813-S817 PolarHBondContact O-OG 3.32Å |
| 814 | F | 87.7 | Confident | 84.6 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -38.6 | 171.4 | -79.9 | -59.2 | 0 | 0 | 0 | 112.9 | L772 I784 I787 L788 L810 T811 S812 S817 L821 V825 | L772-F814 HydrophobicContact CD1-CD1 3.99Å; L772-F814 HydrophobicContact CD1-CE1 3.73Å; L772-F814 HydrophobicContact CD2-CD1 3.46Å; L772-F814 VanDerWaalsContact CD2-CD1 3.46Å; L772-F814 HydrophobicContact CD2-CD2 4.02Å; L772-F814 HydrophobicContact CD2-CE1 3.51Å; L772-F814 HydrophobicContact CD2-CE2 4.07Å; L772-F814 HydrophobicContact CD2-CG 3.72Å; L772-F814 HydrophobicContact CD2-CZ 3.82Å; L772-F814 HydrophobicContact CG-CD1 4.4Å; L772-F814 HydrophobicContact CG-CE1 4.26Å; I784-F814 HydrophobicContact CD1-CE1 4.35Å; I784-F814 HydrophobicContact CG1-CE1 4.08Å; I784-F814 HydrophobicContact CG1-CZ 4.49Å; I784-F814 HydrophobicContact CG2-CD1 4.4Å; I784-F814 HydrophobicContact CG2-CE1 3.92Å; I784-F814 HydrophobicContact CG2-CZ 4.28Å; I787-F814 HydrophobicContact CG2-CE2 4.21Å; L788-F814 HydrophobicContact CD2-CD2 4.2Å; L810-F814 HydrophobicContact CD1-CD2 4.49Å; L810-F814 HydrophobicContact CD1-CE2 4.01Å; L810-F814 HydrophobicContact CD2-CE2 4.27Å; L810-F814 HydrophobicContact CG-CD2 4.15Å; L810-F814 HydrophobicContact CG-CE2 3.75Å; L810-F814 VanDerWaalsContact O-CD2 3.22Å; L810-F814 WeakPolarHBondContact O-CD2 3.35Å; L810-F814 PolarHBondContact O-N 3.14Å; T811-F814 WeakPolarHBondContact O-CB 3.44Å; T811-F814 PolarHBondContact O-N 3.18Å; S812-F814 VanDerWaalsContact C-N 3.32Å; S812-F814 PolarHBondContact O-N 2.99Å; F814-S817 WeakPolarHBondContact O-CB 3.31Å; F814-S817 PolarHBondContact O-N 3.19Å; F814-L821 HydrophobicContact CD1-CD2 4.2Å; F814-V825 HydrophobicContact CB-CB 4.48Å; F814-V825 HydrophobicContact CB-CG1 3.92Å; F814-V825 HydrophobicContact CB-CG2 3.92Å; F814-V825 HydrophobicContact CG-CG2 4.46Å |
| 815 | L | 85.4 | Confident | 84.4 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.7 | -30 | 175.8 | -70.5 | 178.1 | 0 | 0 | 0 | 112.9 | T811 S812 S817 A822 V825 F826 L858 A861 F862 L865 | T811-L815 PolarHBondContact O-N 2.9Å; T811-L815 VanDerWaalsContact O-N 3.09Å; S812-L815 PolarHBondContact O-N 3.16Å; S812-L815 VanDerWaalsContact O-N 3.12Å; L815-S817 PolarHBondContact O-N 3.38Å; L815-A822 VanDerWaalsContact O-CB 3.27Å; L815-A822 WeakPolarHBondContact O-CB 3.42Å; L815-V825 HydrophobicContact CD2-CB 4.07Å; L815-V825 HydrophobicContact CD2-CG1 3.72Å; L815-V825 HydrophobicContact CG-CG1 4.11Å; L815-F826 HydrophobicContact CD2-CB 3.94Å; L815-L858 HydrophobicContact CD1-CD1 3.67Å; L815-A861 HydrophobicContact CB-CB 3.93Å; L815-A861 HydrophobicContact CD1-CB 4.41Å; L815-F862 HydrophobicContact CD1-CB 4.49Å; L815-L865 HydrophobicContact CB-CD1 3.95Å; L815-L865 HydrophobicContact CD2-CD1 3.83Å; L815-L865 HydrophobicContact CG-CD1 4.41Å; L815-L865 WeakPolarHBondContact O-CD1 3.26Å |
| 816 | E | 86.1 | Confident | 84.2 | Confident | 88 Ų | 88 | 29.6 Ų | 29.6 | 41% | 0.411 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8.4 | 176.5 | -69.5 | 165.1 | -167.4 | 0 | 0 | 112.9 | S812 L813 R857 A861 | S812-E816 VanDerWaalsContact O-CG 3.31Å; S812-E816 WeakPolarHBondContact O-CG 3.43Å; S812-E816 PolarHBondContact O-N 3.11Å; L813-E816 PolarHBondContact O-N 3.44Å; E816-R857 WeakPolarHBondContact OE1-CG 3.43Å; E816-R857 IonicContact OE1-CZ 3.86Å; E816-R857 IonicContact OE1-NE 3.84Å; E816-R857 PolarHBondContact OE1-NE 3.27Å; E816-R857 IonicContact OE1-NH2 2.72Å; E816-R857 IonicContact OE2-CZ 3.66Å; E816-R857 IonicContact OE2-NE 3.83Å; E816-R857 PolarHBondContact OE2-NE 2.77Å; E816-R857 IonicContact OE2-NH2 2.73Å; E816-R857 PolarHBondContact OE2-NH2 3.42Å; E816-A861 HydrophobicContact CG-CB 3.84Å |
| 817 | S | 83.2 | Confident | 84.1 | Confident | 16 Ų | 16 | 34.2 Ų | 34.2 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -71.3 | 156.7 | -179.9 | -65.7 | 0 | 0 | 0 | 0 | 112.7 | L813 F814 L815 A822 | L813-S817 PolarHBondContact O-N 3.32Å; L813-S817 PolarHBondContact O-OG 3.32Å; F814-S817 WeakPolarHBondContact O-CB 3.31Å; F814-S817 PolarHBondContact O-N 3.19Å; L815-S817 PolarHBondContact O-N 3.38Å; S817-A822 VanDerWaalsContact O-CB 3.24Å; S817-A822 WeakPolarHBondContact O-CB 3.34Å |
| 818 | P | 77.6 | Confident | 83.8 | Confident | 104 Ų | 104 | 34.9 Ų | 34.9 | 68% | 0.675 | 19% | 0.192 | S | C | * | . | P | Polyproline II helix | trans | -61.9 | 147.8 | 178.3 | 24 | -33.2 | 0 | 0 | 0 | 113 | L821 | P818-L821 PolarHBondContact O-N 3.35Š|
| 819 | N | 72 | Confident | 83.5 | Confident | 107 Ų | 107 | 34.9 Ų | 34.9 | 57% | 0.572 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 142.9 | 175.4 | -83.6 | -39.2 | 0 | 0 | 0 | 111.3 | S823 | N819-S823 PolarHBondContact OD1-N 3.14Å; N819-S823 PolarHBondContact OD1-OG 3.12Å |
| 820 | P | 77.7 | Confident | 83.2 | Confident | 90 Ų | 90 | 36.2 Ų | 36.2 | 58% | 0.584 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -92.3 | -5 | 19 | 35.2 | -36.8 | 0 | 0 | 0 | 116.3 | A822 S823 Q824 | P820-A822 PolarHBondContact O-N 3.42Å; P820-S823 WeakPolarHBondContact O-CB 3.25Å; P820-S823 PolarHBondContact O-N 3.01Å; P820-Q824 PolarHBondContact O-N 3.16Å; P820-Q824 VanDerWaalsContact O-N 3.14Å |
| 821 | L | 81.3 | Confident | 83 | Confident | 29 Ų | 29 | 41.1 Ų | 41.1 | 15% | 0.152 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.3 | -49 | -174 | 179.6 | 65.6 | 0 | 0 | 0 | 112.1 | I784 F814 P818 S823 Q824 V825 | I784-L821 HydrophobicContact CD1-CD1 3.86Å; I784-L821 HydrophobicContact CD1-CD2 4.31Å; I784-L821 HydrophobicContact CG2-CD1 4.11Å; F814-L821 HydrophobicContact CD1-CD2 4.2Å; P818-L821 PolarHBondContact O-N 3.35Å; L821-S823 VanDerWaalsContact C-N 3.26Å; L821-S823 PolarHBondContact O-N 3.22Å; L821-Q824 WeakPolarHBondContact O-CB 3.45Å; L821-Q824 PolarHBondContact O-N 3.22Å; L821-V825 HydrophobicContact CD1-CG2 4.13Å; L821-V825 HydrophobicContact CG-CG2 4.17Å; L821-V825 VanDerWaalsContact O-CG2 3.24Å; L821-V825 WeakPolarHBondContact O-CG2 3.27Å; L821-V825 PolarHBondContact O-N 3.1Å |
| 822 | A | 82.7 | Confident | 82.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58 | -38.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L815 S817 P820 F826 L865 | L815-A822 VanDerWaalsContact O-CB 3.27Å; L815-A822 WeakPolarHBondContact O-CB 3.42Å; S817-A822 VanDerWaalsContact O-CB 3.24Å; S817-A822 WeakPolarHBondContact O-CB 3.34Å; P820-A822 PolarHBondContact O-N 3.42Å; A822-F826 WeakPolarHBondContact O-CB 3.44Å; A822-F826 PolarHBondContact O-N 3.35Å; A822-L865 HydrophobicContact CB-CD1 4.2Å; A822-L865 HydrophobicContact CB-CD2 3.85Å |
| 823 | S | 81.4 | Confident | 82.6 | Confident | 47 Ų | 47 | 51.6 Ų | 51.6 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.7 | -38.3 | 175.1 | -67 | 0 | 0 | 0 | 0 | 112.7 | N819 P820 L821 Q827 | N819-S823 PolarHBondContact OD1-N 3.14Å; N819-S823 PolarHBondContact OD1-OG 3.12Å; P820-S823 WeakPolarHBondContact O-CB 3.25Å; P820-S823 PolarHBondContact O-N 3.01Å; L821-S823 VanDerWaalsContact C-N 3.26Å; L821-S823 PolarHBondContact O-N 3.22Å; S823-Q827 WeakPolarHBondContact O-CG 3.48Å; S823-Q827 PolarHBondContact O-N 3.46Å; S823-Q827 VanDerWaalsContact O-N 3.15Å |
| 824 | Q | 81.5 | Confident | 82.5 | Confident | 92 Ų | 92 | 51.1 Ų | 51.1 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.6 | -47.2 | 176.4 | -67.4 | 176.6 | 2.5 | 0 | 0 | 111.7 | P820 L821 F826 Q827 I828 | P820-Q824 PolarHBondContact O-N 3.16Å; P820-Q824 VanDerWaalsContact O-N 3.14Å; L821-Q824 WeakPolarHBondContact O-CB 3.45Å; L821-Q824 PolarHBondContact O-N 3.22Å; Q824-F826 VanDerWaalsContact C-N 3.26Å; Q824-F826 PolarHBondContact O-N 3.37Å; Q824-Q827 WeakPolarHBondContact O-CB 3.33Å; Q824-Q827 PolarHBondContact O-N 3.11Å; Q824-Q827 VanDerWaalsContact O-N 3.13Å; Q824-I828 WeakPolarHBondContact O-CG1 3.35Å; Q824-I828 PolarHBondContact O-N 3.34Å |
| 825 | V | 83.7 | Confident | 82.4 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 176.2 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | L788 F814 L815 L821 Q827 I828 V829 | L788-V825 HydrophobicContact CD1-CB 4.43Å; L788-V825 HydrophobicContact CD1-CG1 4.39Å; L788-V825 HydrophobicContact CD1-CG2 3.88Å; L788-V825 HydrophobicContact CD2-CG1 4.13Å; F814-V825 HydrophobicContact CB-CB 4.48Å; F814-V825 HydrophobicContact CB-CG1 3.92Å; F814-V825 HydrophobicContact CB-CG2 3.92Å; F814-V825 HydrophobicContact CG-CG2 4.46Å; L815-V825 HydrophobicContact CD2-CB 4.07Å; L815-V825 HydrophobicContact CD2-CG1 3.72Å; L815-V825 HydrophobicContact CG-CG1 4.11Å; L821-V825 HydrophobicContact CD1-CG2 4.13Å; L821-V825 HydrophobicContact CG-CG2 4.17Å; L821-V825 VanDerWaalsContact O-CG2 3.24Å; L821-V825 WeakPolarHBondContact O-CG2 3.27Å; L821-V825 PolarHBondContact O-N 3.1Å; V825-Q827 VanDerWaalsContact C-N 3.34Å; V825-Q827 PolarHBondContact O-N 2.93Å; V825-I828 WeakPolarHBondContact O-CB 3.3Å; V825-I828 PolarHBondContact O-N 3.16Å; V825-V829 HydrophobicContact CG1-CG2 4.19Å; V825-V829 WeakPolarHBondContact O-CG2 3.46Å; V825-V829 PolarHBondContact O-N 3.22Å |
| 826 | F | 82.7 | Confident | 82.4 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 176.4 | 177.9 | -86.4 | 0 | 0 | 0 | 112.6 | L815 A822 Q824 I828 V829 I830 F862 L865 K866 Q875 | L815-F826 HydrophobicContact CD2-CB 3.94Å; A822-F826 WeakPolarHBondContact O-CB 3.44Å; A822-F826 PolarHBondContact O-N 3.35Å; Q824-F826 VanDerWaalsContact C-N 3.26Å; Q824-F826 PolarHBondContact O-N 3.37Å; F826-I828 VanDerWaalsContact C-N 3.25Å; F826-I828 PolarHBondContact O-N 3.3Å; F826-V829 PolarHBondContact O-N 2.75Å; F826-I830 HydrophobicContact CD1-CD1 3.78Å; F826-I830 HydrophobicContact CE1-CD1 3.13Å; F826-I830 HydrophobicContact CE1-CG1 4.31Å; F826-I830 HydrophobicContact CE2-CD1 4.05Å; F826-I830 HydrophobicContact CG-CD1 4.45Å; F826-I830 HydrophobicContact CZ-CD1 3.31Å; F826-I830 HydrophobicContact CZ-CG1 4.41Å; F826-I830 WeakPolarHBondContact O-CG1 3.48Å; F826-I830 PolarHBondContact O-N 3.42Å; F826-F862 AromaticContact CD2-CD2 3.92Å; F826-F862 HydrophobicContact CD2-CD2 3.92Å; F826-F862 AromaticContact CD2-CE2 3.71Å; F826-F862 HydrophobicContact CD2-CE2 3.71Å; F826-F862 HydrophobicContact CD2-CZ 4.34Å; F826-F862 HydrophobicContact CE2-CD1 4.46Å; F826-F862 AromaticContact CE2-CD2 3.8Å; F826-F862 HydrophobicContact CE2-CD2 3.8Å; F826-F862 HydrophobicContact CE2-CE1 4.09Å; F826-F862 AromaticContact CE2-CE2 3.35Å; F826-F862 HydrophobicContact CE2-CE2 3.35Å; F826-F862 HydrophobicContact CE2-CG 4.34Å; F826-F862 AromaticContact CE2-CZ 3.52Å; F826-F862 HydrophobicContact CE2-CZ 3.52Å; F826-F862 HydrophobicContact CZ-CE2 4.14Å; F826-F862 AromaticContact CZ-CZ 3.98Å; F826-F862 HydrophobicContact CZ-CZ 3.98Å; F826-L865 HydrophobicContact CD2-CD1 4.43Å; F826-K866 HydrophobicContact CE2-CG 3.93Å; F826-K866 HydrophobicContact CZ-CD 4.19Å; F826-K866 HydrophobicContact CZ-CG 3.8Å; F826-Q875 HydrophobicContact CZ-CB 4.31Å |
| 827 | Q | 82 | Confident | 82.5 | Confident | 103 Ų | 103 | 52.8 Ų | 52.8 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -34.8 | 174.2 | -67.1 | -57.9 | -34.3 | 0 | 0 | 112.2 | S823 Q824 V825 Q831 | S823-Q827 WeakPolarHBondContact O-CG 3.48Å; S823-Q827 PolarHBondContact O-N 3.46Å; S823-Q827 VanDerWaalsContact O-N 3.15Å; Q824-Q827 WeakPolarHBondContact O-CB 3.33Å; Q824-Q827 PolarHBondContact O-N 3.11Å; Q824-Q827 VanDerWaalsContact O-N 3.13Å; V825-Q827 VanDerWaalsContact C-N 3.34Å; V825-Q827 PolarHBondContact O-N 2.93Å; Q827-Q831 WeakPolarHBondContact O-CG 3.22Å |
| 828 | I | 82.5 | Confident | 82.7 | Confident | 14 Ų | 14 | 52.1 Ų | 52.1 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.1 | -43.2 | 178.3 | -63 | 162.3 | 0 | 0 | 0 | 111 | M785 L788 Q824 V825 F826 I830 Q831 | M785-I828 HydrophobicContact CE-CD1 3.86Å; M785-I828 HydrophobicContact SD-CD1 3.59Å; M785-I828 VanDerWaalsContact SD-CD1 3.59Å; L788-I828 HydrophobicContact CB-CD1 4.38Å; L788-I828 HydrophobicContact CB-CG2 4.31Å; L788-I828 HydrophobicContact CD1-CD1 3.57Å; Q824-I828 WeakPolarHBondContact O-CG1 3.35Å; Q824-I828 PolarHBondContact O-N 3.34Å; V825-I828 WeakPolarHBondContact O-CB 3.3Å; V825-I828 PolarHBondContact O-N 3.16Å; F826-I828 VanDerWaalsContact C-N 3.25Å; F826-I828 PolarHBondContact O-N 3.3Å; I828-I830 PolarHBondContact O-N 3.38Å; I828-Q831 VanDerWaalsContact O-CB 3.31Å; I828-Q831 WeakPolarHBondContact O-CB 3.42Å; I828-Q831 PolarHBondContact O-N 2.65Å |
| 829 | V | 83.2 | Confident | 83.2 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.7 | -31.7 | 179.3 | 171.7 | 0 | 0 | 0 | 0 | 112 | T811 V825 F826 Q831 F834 L835 L838 F862 | T811-V829 HydrophobicContact CG2-CG2 4.05Å; V825-V829 HydrophobicContact CG1-CG2 4.19Å; V825-V829 WeakPolarHBondContact O-CG2 3.46Å; V825-V829 PolarHBondContact O-N 3.22Å; F826-V829 PolarHBondContact O-N 2.75Å; V829-Q831 VanDerWaalsContact C-N 3.34Å; V829-F834 HydrophobicContact CB-CD1 4.3Å; V829-F834 HydrophobicContact CG1-CD1 4.04Å; V829-F834 HydrophobicContact CG1-CE1 4.19Å; V829-F834 HydrophobicContact CG2-CD1 4.26Å; V829-F834 HydrophobicContact CG2-CE1 4.04Å; V829-F834 HydrophobicContact CG2-CE2 4.35Å; V829-F834 HydrophobicContact CG2-CZ 4.1Å; V829-L835 PolarHBondContact O-N 2.94Å; V829-L838 HydrophobicContact CG1-CD1 3.83Å; V829-F862 HydrophobicContact CG1-CD2 4.4Å; V829-F862 HydrophobicContact CG1-CE2 4.32Å |
| 830 | I | 82.2 | Confident | 83.8 | Confident | 46 Ų | 46 | 46.9 Ų | 46.9 | 24% | 0.236 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -17.7 | 177.3 | -69.9 | 179 | 0 | 0 | 0 | 112.9 | F826 I828 E832 F862 Q875 | F826-I830 HydrophobicContact CD1-CD1 3.78Å; F826-I830 HydrophobicContact CE1-CD1 3.13Å; F826-I830 HydrophobicContact CE1-CG1 4.31Å; F826-I830 HydrophobicContact CE2-CD1 4.05Å; F826-I830 HydrophobicContact CG-CD1 4.45Å; F826-I830 HydrophobicContact CZ-CD1 3.31Å; F826-I830 HydrophobicContact CZ-CG1 4.41Å; F826-I830 WeakPolarHBondContact O-CG1 3.48Å; F826-I830 PolarHBondContact O-N 3.42Å; I828-I830 PolarHBondContact O-N 3.38Å; I830-E832 PolarHBondContact O-N 2.95Å; I830-F862 HydrophobicContact CD1-CE2 4.35Å; I830-F862 HydrophobicContact CD1-CZ 4.15Å; I830-F862 HydrophobicContact CG1-CE2 4.06Å; I830-F862 HydrophobicContact CG1-CZ 4.14Å; I830-Q875 HydrophobicContact CD1-CB 4.18Å; I830-Q875 HydrophobicContact CD1-CG 4.26Å |
| 831 | Q | 84.5 | Confident | 84.3 | Confident | 103 Ų | 103 | 43 Ų | 43 | 48% | 0.481 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -60.8 | 140.8 | 176.6 | -65.3 | 176.4 | 5.3 | 0 | 0 | 110.3 | Q827 I828 V829 P833 F834 L835 | Q827-Q831 WeakPolarHBondContact O-CG 3.22Å; I828-Q831 VanDerWaalsContact O-CB 3.31Å; I828-Q831 WeakPolarHBondContact O-CB 3.42Å; I828-Q831 PolarHBondContact O-N 2.65Å; V829-Q831 VanDerWaalsContact C-N 3.34Å; Q831-P833 VanDerWaalsContact C-CD 3.44Å; Q831-P833 HydrophobicContact CB-CG 4.48Å; Q831-P833 VanDerWaalsContact O-N 3.16Å; Q831-F834 PolarHBondContact O-N 2.91Å; Q831-L835 WeakPolarHBondContact O-CB 3.37Å; Q831-L835 PolarHBondContact O-N 3.4Å |
| 832 | E | 84.8 | Confident | 84.6 | Confident | 145 Ų | 145 | 41.6 Ų | 41.6 | 68% | 0.678 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -43.9 | -48.4 | -175.2 | -166.2 | 169.2 | -162.2 | 0 | 0 | 114.7 | I830 F834 L835 E836 | I830-E832 PolarHBondContact O-N 2.95Å; E832-F834 PolarHBondContact O-N 2.89Å; E832-L835 PolarHBondContact O-N 3.2Å; E832-E836 WeakPolarHBondContact O-CB 3.5Å; E832-E836 PolarHBondContact O-N 3.39Å |
| 833 | P | 84.4 | Confident | 84.8 | Confident | 76 Ų | 76 | 42.8 Ų | 42.8 | 49% | 0.494 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.4 | -37 | -179.1 | 23.7 | -34.9 | 0 | 0 | 0 | 114 | Q831 C837 | Q831-P833 VanDerWaalsContact C-CD 3.44Å; Q831-P833 HydrophobicContact CB-CG 4.48Å; Q831-P833 VanDerWaalsContact O-N 3.16Å; P833-C837 PolarHBondContact O-SG 3.48Å |
| 834 | F | 85.9 | Confident | 85 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -75.9 | -46.1 | 179.4 | -159.5 | -62.4 | 0 | 0 | 0 | 110.1 | M791 P792 L795 T811 V829 Q831 E832 E836 C837 L838 | M791-F834 HydrophobicContact CB-CD2 4.42Å; M791-F834 HydrophobicContact CB-CE2 3.53Å; M791-F834 HydrophobicContact CB-CZ 4.08Å; M791-F834 HydrophobicContact CG-CE2 4.37Å; P792-F834 HydrophobicContact CG-CB 4.16Å; P792-F834 HydrophobicContact CG-CD2 3.74Å; P792-F834 HydrophobicContact CG-CE2 4.49Å; P792-F834 HydrophobicContact CG-CG 4.21Å; L795-F834 HydrophobicContact CD1-CD1 4.28Å; L795-F834 HydrophobicContact CD1-CE1 3.59Å; L795-F834 HydrophobicContact CD1-CE2 4.45Å; L795-F834 HydrophobicContact CD1-CZ 3.69Å; T811-F834 HydrophobicContact CG2-CE1 4.35Å; T811-F834 HydrophobicContact CG2-CZ 3.73Å; V829-F834 HydrophobicContact CB-CD1 4.3Å; V829-F834 HydrophobicContact CG1-CD1 4.04Å; V829-F834 HydrophobicContact CG1-CE1 4.19Å; V829-F834 HydrophobicContact CG2-CD1 4.26Å; V829-F834 HydrophobicContact CG2-CE1 4.04Å; V829-F834 HydrophobicContact CG2-CE2 4.35Å; V829-F834 HydrophobicContact CG2-CZ 4.1Å; Q831-F834 PolarHBondContact O-N 2.91Å; E832-F834 PolarHBondContact O-N 2.89Å; F834-E836 PolarHBondContact O-N 2.81Å; F834-C837 WeakPolarHBondContact O-CB 3.45Å; F834-C837 PolarHBondContact O-N 3.4Å; F834-L838 HydrophobicContact CD1-CD1 3.77Å; F834-L838 HydrophobicContact CD1-CG 3.87Å; F834-L838 HydrophobicContact CE1-CD1 3.74Å; F834-L838 HydrophobicContact CE1-CD2 4.08Å; F834-L838 HydrophobicContact CE1-CG 3.84Å; F834-L838 PolarHBondContact O-N 3.4Å; F834-L838 VanDerWaalsContact O-N 3.11Å |
| 835 | L | 85.5 | Confident | 85.2 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 12% | 0.12 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | -179.2 | 178.2 | 56.2 | 0 | 0 | 0 | 111.7 | V829 Q831 E832 C837 L838 I839 F879 | V829-L835 PolarHBondContact O-N 2.94Å; Q831-L835 WeakPolarHBondContact O-CB 3.37Å; Q831-L835 PolarHBondContact O-N 3.4Å; E832-L835 PolarHBondContact O-N 3.2Å; L835-C837 VanDerWaalsContact C-N 3.3Å; L835-C837 PolarHBondContact O-N 3.34Å; L835-L838 PolarHBondContact O-N 2.91Å; L835-I839 HydrophobicContact CD1-CD1 3.78Å; L835-I839 HydrophobicContact CD1-CG1 4.09Å; L835-I839 HydrophobicContact CD2-CD1 4.49Å; L835-I839 HydrophobicContact CG-CD1 3.67Å; L835-I839 HydrophobicContact CG-CG1 4.44Å; L835-I839 WeakPolarHBondContact O-CD1 3.48Å; L835-I839 WeakPolarHBondContact O-CG1 3.36Å; L835-I839 PolarHBondContact O-N 2.86Å; L835-F879 HydrophobicContact CD1-CD2 3.29Å; L835-F879 HydrophobicContact CD1-CE2 3.18Å; L835-F879 HydrophobicContact CD1-CZ 4.37Å |
| 836 | E | 86.7 | Confident | 85.2 | Confident | 93 Ų | 93 | 42.6 Ų | 42.6 | 44% | 0.435 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.7 | -39.9 | 176.9 | -173.8 | 173.8 | -167.1 | 0 | 0 | 111.9 | E832 F834 I839 N840 | E832-E836 WeakPolarHBondContact O-CB 3.5Å; E832-E836 PolarHBondContact O-N 3.39Å; F834-E836 PolarHBondContact O-N 2.81Å; E836-I839 PolarHBondContact O-N 3.37Å; E836-N840 WeakPolarHBondContact O-CB 3.27Å; E836-N840 PolarHBondContact O-N 3.26Å; E836-N840 PolarHBondContact O-ND2 3.45Å |
| 837 | C | 87.5 | Confident | 85.3 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 9% | 0.088 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.1 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | L795 I796 P833 F834 L835 L841 | L795-C837 HydrophobicContact CB-CB 4.07Å; I796-C837 WeakPolarHBondContact CG1-SG 3.29Å; P833-C837 PolarHBondContact O-SG 3.48Å; F834-C837 WeakPolarHBondContact O-CB 3.45Å; F834-C837 PolarHBondContact O-N 3.4Å; L835-C837 VanDerWaalsContact C-N 3.3Å; L835-C837 PolarHBondContact O-N 3.34Å; C837-L841 VanDerWaalsContact O-CB 3.26Å; C837-L841 WeakPolarHBondContact O-CB 3.45Å; C837-L841 PolarHBondContact O-N 2.92Å |
| 838 | L | 87.5 | Confident | 85.3 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 177.4 | -70.6 | 179.9 | 0 | 0 | 0 | 112.2 | L795 L808 V829 F834 L835 L841 A842 M855 L858 | L795-L838 HydrophobicContact CD1-CD2 4.03Å; L808-L838 HydrophobicContact CD2-CD2 3.78Å; V829-L838 HydrophobicContact CG1-CD1 3.83Å; F834-L838 HydrophobicContact CD1-CD1 3.77Å; F834-L838 HydrophobicContact CD1-CG 3.87Å; F834-L838 HydrophobicContact CE1-CD1 3.74Å; F834-L838 HydrophobicContact CE1-CD2 4.08Å; F834-L838 HydrophobicContact CE1-CG 3.84Å; F834-L838 PolarHBondContact O-N 3.4Å; F834-L838 VanDerWaalsContact O-N 3.11Å; L835-L838 PolarHBondContact O-N 2.91Å; L838-L841 PolarHBondContact O-N 3.15Å; L838-A842 WeakPolarHBondContact O-CB 3.47Å; L838-A842 PolarHBondContact O-N 3.48Å; L838-M855 HydrophobicContact CD2-CE 4.15Å; L838-M855 HydrophobicContact CD2-SD 4.19Å; L838-L858 HydrophobicContact CD1-CD2 3.89Å; L838-L858 HydrophobicContact CD2-CD2 3.52Å; L838-L858 HydrophobicContact CG-CD2 4.37Å |
| 839 | I | 87.2 | Confident | 85.1 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -52.4 | 177.4 | -67.4 | 161.1 | 0 | 0 | 0 | 109.6 | L835 E836 L841 A842 H843 R882 L883 | L835-I839 HydrophobicContact CD1-CD1 3.78Å; L835-I839 HydrophobicContact CD1-CG1 4.09Å; L835-I839 HydrophobicContact CD2-CD1 4.49Å; L835-I839 HydrophobicContact CG-CD1 3.67Å; L835-I839 HydrophobicContact CG-CG1 4.44Å; L835-I839 WeakPolarHBondContact O-CD1 3.48Å; L835-I839 WeakPolarHBondContact O-CG1 3.36Å; L835-I839 PolarHBondContact O-N 2.86Å; E836-I839 PolarHBondContact O-N 3.37Å; I839-L841 VanDerWaalsContact C-N 3.25Å; I839-L841 PolarHBondContact O-N 2.91Å; I839-A842 PolarHBondContact O-N 3.36Å; I839-H843 WeakPolarHBondContact CG2-CE1 3.21Å; I839-H843 WeakPolarHBondContact CG2-ND1 3.36Å; I839-H843 PolarHBondContact O-N 3.29Å; I839-H843 PolarHBondContact O-ND1 3.25Å; I839-H843 VanDerWaalsContact O-ND1 3.11Å; I839-R882 HydrophobicContact CD1-CB 3.61Å; I839-R882 HydrophobicContact CD1-CG 4.31Å; I839-R882 HydrophobicContact CG1-CB 4.35Å; I839-L883 HydrophobicContact CG1-CD2 4.46Å |
| 840 | N | 85.8 | Confident | 84.7 | Confident | 94 Ų | 94 | 48.1 Ų | 48.1 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 178.2 | -69.8 | -15.9 | 0 | 0 | 0 | 111.4 | E836 H843 S844 | E836-N840 WeakPolarHBondContact O-CB 3.27Å; E836-N840 PolarHBondContact O-N 3.26Å; E836-N840 PolarHBondContact O-ND2 3.45Å; N840-H843 PolarHBondContact O-N 2.92Å; N840-S844 PolarHBondContact O-N 3.18Å; N840-S844 VanDerWaalsContact O-N 3.11Å |
| 841 | L | 87.5 | Confident | 84.7 | Confident | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.1 | -39.6 | 176.8 | -175.6 | 59.6 | 0 | 0 | 0 | 112.7 | L801 T804 L808 C837 L838 I839 H843 S844 L847 M855 | L801-L841 HydrophobicContact CD1-CD1 4.28Å; T804-L841 HydrophobicContact CG2-CD1 4.17Å; T804-L841 HydrophobicContact CG2-CD2 3.32Å; T804-L841 HydrophobicContact CG2-CG 4.42Å; L808-L841 HydrophobicContact CD1-CD2 3.92Å; L808-L841 HydrophobicContact CD2-CD2 4.35Å; L808-L841 HydrophobicContact CG-CD2 4.48Å; C837-L841 VanDerWaalsContact O-CB 3.26Å; C837-L841 WeakPolarHBondContact O-CB 3.45Å; C837-L841 PolarHBondContact O-N 2.92Å; L838-L841 PolarHBondContact O-N 3.15Å; I839-L841 VanDerWaalsContact C-N 3.25Å; I839-L841 PolarHBondContact O-N 2.91Å; L841-H843 VanDerWaalsContact C-N 3.25Å; L841-H843 PolarHBondContact O-N 3.42Å; L841-S844 WeakPolarHBondContact O-CB 3.43Å; L841-S844 PolarHBondContact O-N 3.22Å; L841-L847 HydrophobicContact CD1-CD1 4.12Å; L841-L847 HydrophobicContact CG-CD1 4.1Å; L841-L847 WeakPolarHBondContact O-CD2 3.46Å; L841-M855 HydrophobicContact CB-CE 3.85Å; L841-M855 HydrophobicContact CD2-CE 3.51Å; L841-M855 HydrophobicContact CG-CE 3.61Å |
| 842 | A | 87.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.4 | -26.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L838 I839 L883 L931 | L838-A842 WeakPolarHBondContact O-CB 3.47Å; L838-A842 PolarHBondContact O-N 3.48Å; I839-A842 PolarHBondContact O-N 3.36Å; A842-L883 HydrophobicContact CB-CD2 3.84Å; A842-L931 HydrophobicContact CB-CD1 4.21Å |
| 843 | H | 86.8 | Confident | 84.7 | Confident | 26 Ų | 26 | 36.4 Ų | 36.4 | 12% | 0.12 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -6.8 | 173.8 | -64.5 | 130.9 | 0 | 0 | 0 | 114 | I839 N840 L841 L883 P886 V923 A927 | I839-H843 WeakPolarHBondContact CG2-CE1 3.21Å; I839-H843 WeakPolarHBondContact CG2-ND1 3.36Å; I839-H843 PolarHBondContact O-N 3.29Å; I839-H843 PolarHBondContact O-ND1 3.25Å; I839-H843 VanDerWaalsContact O-ND1 3.11Å; N840-H843 PolarHBondContact O-N 2.92Å; L841-H843 VanDerWaalsContact C-N 3.25Å; L841-H843 PolarHBondContact O-N 3.42Å; H843-L883 PolarHBondContact CE1-O 3.44Å; H843-L883 PolarHBondContact NE2-O 3.26Å; H843-P886 VanDerWaalsContact CE1-CG 3.48Å; H843-P886 WeakPolarHBondContact CE1-CG 3.48Å; H843-V923 HydrophobicContact CB-CG1 4.49Å; H843-A927 WeakPolarHBondContact O-CB 3.44Å |
| 844 | S | 86.5 | Confident | 84.7 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 3% | 0.028 | 17% | 0.174 | C | C | . | . | trans | -75.4 | 130.2 | -179.1 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | E798 N840 L841 L846 L847 | E798-S844 VanDerWaalsContact OE1-CB 3.28Å; E798-S844 WeakPolarHBondContact OE1-CB 3.23Å; E798-S844 PolarHBondContact OE1-OG 3.02Å; N840-S844 PolarHBondContact O-N 3.18Å; N840-S844 VanDerWaalsContact O-N 3.11Å; L841-S844 WeakPolarHBondContact O-CB 3.43Å; L841-S844 PolarHBondContact O-N 3.22Å; S844-L846 PolarHBondContact O-N 3.34Å; S844-L846 PolarHBondContact OG-N 3.5Å; S844-L847 PolarHBondContact O-N 2.94Å | ||
| 845 | P | 84.4 | Confident | 84.9 | Confident | 39 Ų | 39 | 32.7 Ų | 32.7 | 25% | 0.253 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -13.7 | 174.3 | 29.4 | -34.9 | 0 | 0 | 0 | 112.8 | R848 H924 D926 | P845-R848 PolarHBondContact O-NE 3.16Å; P845-H924 HydrophobicContact CB-CB 4.45Å; P845-H924 HydrophobicContact CG-CB 4.38Å; P845-D926 HydrophobicContact CB-CB 3.91Å |
| 846 | L | 84.3 | Confident | 85.1 | Confident | 94 Ų | 94 | 31.9 Ų | 31.9 | 49% | 0.492 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -14.7 | 177.8 | -60.1 | 175.9 | 0 | 0 | 0 | 112.9 | E798 L801 S844 R848 | E798-L846 HydrophobicContact CB-CD1 4.13Å; L801-L846 VanDerWaalsContact CD2-O 3.29Å; L801-L846 WeakPolarHBondContact CD2-O 3.08Å; S844-L846 PolarHBondContact O-N 3.34Å; S844-L846 PolarHBondContact OG-N 3.5Å; L846-R848 VanDerWaalsContact C-N 3.32Å; L846-R848 PolarHBondContact O-N 3.44Å |
| 847 | L | 85.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -71.6 | 85.5 | 178 | -174.9 | 68.4 | 0 | 0 | 0 | 110.8 | L841 S844 A851 L852 M855 S930 | L841-L847 HydrophobicContact CD1-CD1 4.12Å; L841-L847 HydrophobicContact CG-CD1 4.1Å; L841-L847 WeakPolarHBondContact O-CD2 3.46Å; S844-L847 PolarHBondContact O-N 2.94Å; L847-A851 HydrophobicContact CD1-CB 3.97Å; L847-L852 HydrophobicContact CD2-CD1 4.03Å; L847-L852 HydrophobicContact CG-CB 4.22Å; L847-L852 HydrophobicContact CG-CD1 4.13Å; L847-M855 HydrophobicContact CD1-CB 4.35Å; L847-M855 HydrophobicContact CD2-CB 4.17Å; L847-M855 HydrophobicContact CD2-CE 4.21Å; L847-M855 HydrophobicContact CD2-CG 4.06Å; L847-S930 WeakPolarHBondContact O-CB 3.3Å; L847-S930 PolarHBondContact O-OG 3.38Å | ||
| 848 | R | 81.2 | Confident | 85.3 | Confident | 113 Ų | 113 | 28.5 Ų | 28.5 | 43% | 0.426 | 15% | 0.151 | S | C | . | . | trans | -136.8 | 166.2 | -179.8 | -63.2 | -177.9 | 177.6 | 164.5 | -3.6 | 110.7 | P845 L846 Q850 D926 | P845-R848 PolarHBondContact O-NE 3.16Å; L846-R848 VanDerWaalsContact C-N 3.32Å; L846-R848 PolarHBondContact O-N 3.44Å; R848-Q850 PolarHBondContact O-N 2.94Å; R848-D926 IonicContact CZ-OD2 3.1Å; R848-D926 VanDerWaalsContact NH2-CB 3.31Å; R848-D926 IonicContact NH2-OD2 3.78Å; R848-D926 PolarHBondContact NH2-OD2 3.25Å | ||
| 849 | G | 78.8 | Confident | 85.4 | Confident | 46 Ų | 46 | 28.5 Ų | 28.5 | 47% | 0.474 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | 57.1 | -129.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A851 L852 D853 | G849-A851 PolarHBondContact O-N 3.21Å; G849-L852 WeakPolarHBondContact O-CB 3.02Å; G849-L852 PolarHBondContact O-N 3.13Å; G849-D853 PolarHBondContact O-N 3.43Å |
| 850 | Q | 74.6 | Confident | 85.4 | Confident | 76 Ų | 76 | 32.6 Ų | 32.6 | 36% | 0.355 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66 | -33.7 | -171.1 | -62.9 | -67.3 | -17.9 | 0 | 0 | 114.1 | Q805 R848 L852 D853 G854 | Q805-Q850 VanDerWaalsContact CD-CB 3.43Å; Q805-Q850 HydrophobicContact CG-CB 4.31Å; R848-Q850 PolarHBondContact O-N 2.94Å; Q850-L852 VanDerWaalsContact C-N 3.35Å; Q850-D853 PolarHBondContact O-N 3.43Å; Q850-G854 PolarHBondContact O-N 3.49Å |
| 851 | A | 82.4 | Confident | 85.4 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 2% | 0.017 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70 | -35.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L801 Q805 L847 G849 G854 M855 | L801-A851 HydrophobicContact CD1-CB 3.56Å; L801-A851 HydrophobicContact CD2-CB 3.89Å; L801-A851 HydrophobicContact CG-CB 3.48Å; L801-A851 VanDerWaalsContact CG-CB 3.48Å; Q805-A851 HydrophobicContact CB-CB 4.16Å; L847-A851 HydrophobicContact CD1-CB 3.97Å; G849-A851 PolarHBondContact O-N 3.21Å; A851-G854 PolarHBondContact O-N 2.77Å; A851-M855 PolarHBondContact O-N 2.89Å |
| 852 | L | 87.2 | Confident | 85.3 | Confident | 12 Ų | 12 | 28.3 Ų | 28.3 | 6% | 0.063 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 170.3 | 178 | 60.9 | 0 | 0 | 0 | 110.3 | L847 G849 Q850 G854 M855 L856 | L847-L852 HydrophobicContact CD2-CD1 4.03Å; L847-L852 HydrophobicContact CG-CB 4.22Å; L847-L852 HydrophobicContact CG-CD1 4.13Å; G849-L852 WeakPolarHBondContact O-CB 3.02Å; G849-L852 PolarHBondContact O-N 3.13Å; Q850-L852 VanDerWaalsContact C-N 3.35Å; L852-G854 VanDerWaalsContact C-N 3.29Å; L852-G854 PolarHBondContact O-N 3.29Å; L852-M855 CarbonylContact O-C 2.99Å; L852-M855 WeakPolarHBondContact O-CA 3.49Å; L852-M855 WeakPolarHBondContact O-CB 3.46Å; L852-M855 PolarHBondContact O-N 3.22Å; L852-L856 HydrophobicContact CD1-CD1 4.39Å; L852-L856 HydrophobicContact CD1-CD2 4.09Å; L852-L856 HydrophobicContact CD1-CG 3.99Å; L852-L856 HydrophobicContact CG-CD1 4.1Å; L852-L856 HydrophobicContact CG-CG 4.13Å; L852-L856 VanDerWaalsContact O-CG 3.27Å; L852-L856 WeakPolarHBondContact O-CG 3.26Å; L852-L856 PolarHBondContact O-N 3.21Å |
| 853 | D | 82 | Confident | 85 | Confident | 34 Ų | 34 | 28.6 Ų | 28.6 | 18% | 0.182 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.4 | -42.7 | 177.3 | -64.7 | -42.3 | 0 | 0 | 0 | 111.9 | G849 Q850 L856 R857 K1227 | G849-D853 PolarHBondContact O-N 3.43Å; Q850-D853 PolarHBondContact O-N 3.43Å; D853-L856 PolarHBondContact O-N 2.76Å; D853-R857 PolarHBondContact O-N 2.82Å; D853-K1227 VanDerWaalsContact CG-NZ 3.3Å; D853-K1227 IonicContact OD1-NZ 3.47Å; D853-K1227 PolarHBondContact OD1-NZ 3.38Å; D853-K1227 VanDerWaalsContact OD1-NZ 3.16Å; D853-K1227 VanDerWaalsContact OD2-CE 3.24Å; D853-K1227 WeakPolarHBondContact OD2-CE 3.15Å; D853-K1227 IonicContact OD2-NZ 2.79Å; D853-K1227 PolarHBondContact OD2-NZ 2.84Å |
| 854 | G | 85 | Confident | 84.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | H809 Q850 A851 L852 R857 L858 | H809-G854 VanDerWaalsContact CE1-CA 3.47Å; H809-G854 WeakPolarHBondContact CE1-CA 3.49Å; H809-G854 WeakPolarHBondContact NE2-CA 3.36Å; Q850-G854 PolarHBondContact O-N 3.49Å; A851-G854 PolarHBondContact O-N 2.77Å; L852-G854 VanDerWaalsContact C-N 3.29Å; L852-G854 PolarHBondContact O-N 3.29Å; G854-R857 PolarHBondContact O-N 2.98Å; G854-L858 PolarHBondContact O-N 3.07Å; G854-L858 VanDerWaalsContact O-N 3.07Å |
| 855 | M | 89.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 175 | -174.8 | 66 | 87.8 | 0 | 0 | 111.2 | L808 L838 L841 L847 A851 L852 R857 L858 M859 C934 | L808-M855 HydrophobicContact CD1-CB 4.08Å; L808-M855 HydrophobicContact CD1-CE 4.46Å; L808-M855 HydrophobicContact CD2-CE 4.21Å; L808-M855 HydrophobicContact CD2-SD 4.06Å; L838-M855 HydrophobicContact CD2-CE 4.15Å; L838-M855 HydrophobicContact CD2-SD 4.19Å; L841-M855 HydrophobicContact CB-CE 3.85Å; L841-M855 HydrophobicContact CD2-CE 3.51Å; L841-M855 HydrophobicContact CG-CE 3.61Å; L847-M855 HydrophobicContact CD1-CB 4.35Å; L847-M855 HydrophobicContact CD2-CB 4.17Å; L847-M855 HydrophobicContact CD2-CE 4.21Å; L847-M855 HydrophobicContact CD2-CG 4.06Å; A851-M855 PolarHBondContact O-N 2.89Å; L852-M855 CarbonylContact O-C 2.99Å; L852-M855 WeakPolarHBondContact O-CA 3.49Å; L852-M855 WeakPolarHBondContact O-CB 3.46Å; L852-M855 PolarHBondContact O-N 3.22Å; M855-R857 VanDerWaalsContact C-N 3.29Å; M855-R857 PolarHBondContact O-N 2.99Å; M855-L858 WeakPolarHBondContact O-CB 3.5Å; M855-L858 PolarHBondContact O-N 3.37Å; M855-L858 VanDerWaalsContact O-N 3.12Å; M855-L858 HydrophobicContact SD-CD2 4.29Å; M855-M859 HydrophobicContact CG-CE 3.94Å; M855-M859 HydrophobicContact CG-CG 4.39Å; M855-M859 VanDerWaalsContact O-CG 3.22Å; M855-M859 WeakPolarHBondContact O-CG 3.14Å; M855-M859 PolarHBondContact O-N 3.22Å; M855-M859 HydrophobicContact SD-CE 3.39Å; M855-M859 WeakPolarHBondContact SD-CE 3.49Å; M855-C934 VanDerWaalsContact CG-SG 3.55Å |
| 856 | L | 90.2 | Very high | 83.2 | Confident | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.6 | -34.1 | 179.3 | -63.8 | -178.7 | 0 | 0 | 0 | 112.1 | L852 D853 R860 Q933 C934 A937 | L852-L856 HydrophobicContact CD1-CD1 4.39Å; L852-L856 HydrophobicContact CD1-CD2 4.09Å; L852-L856 HydrophobicContact CD1-CG 3.99Å; L852-L856 HydrophobicContact CG-CD1 4.1Å; L852-L856 HydrophobicContact CG-CG 4.13Å; L852-L856 VanDerWaalsContact O-CG 3.27Å; L852-L856 WeakPolarHBondContact O-CG 3.26Å; L852-L856 PolarHBondContact O-N 3.21Å; D853-L856 PolarHBondContact O-N 2.76Å; L856-R860 VanDerWaalsContact O-CG 3.32Å; L856-R860 WeakPolarHBondContact O-CG 3.29Å; L856-R860 PolarHBondContact O-N 3.32Å; L856-R860 VanDerWaalsContact O-N 3.1Å; L856-R860 PolarHBondContact O-NH1 3.19Å; L856-R860 VanDerWaalsContact O-NH1 3.09Å; L856-Q933 HydrophobicContact CD1-CB 4.18Å; L856-Q933 HydrophobicContact CD2-CB 3.63Å; L856-Q933 WeakPolarHBondContact CD2-O 3.43Å; L856-C934 HydrophobicContact CD2-CB 4.4Å; L856-A937 HydrophobicContact CD2-CB 4.16Å |
| 857 | R | 88.2 | Confident | 82.1 | Confident | 31 Ų | 31 | 32.6 Ų | 32.6 | 12% | 0.117 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.6 | -45.6 | 171.6 | -170.8 | -179.9 | 178.2 | 160.4 | -6.6 | 110.7 | Y769 E816 D853 G854 M855 M859 R860 A861 | Y769-R857 PolarHBondContact OH-NH1 3.35Å; E816-R857 WeakPolarHBondContact OE1-CG 3.43Å; E816-R857 IonicContact OE1-CZ 3.86Å; E816-R857 IonicContact OE1-NE 3.84Å; E816-R857 PolarHBondContact OE1-NE 3.27Å; E816-R857 IonicContact OE1-NH2 2.72Å; E816-R857 IonicContact OE2-CZ 3.66Å; E816-R857 IonicContact OE2-NE 3.83Å; E816-R857 PolarHBondContact OE2-NE 2.77Å; E816-R857 IonicContact OE2-NH2 2.73Å; E816-R857 PolarHBondContact OE2-NH2 3.42Å; D853-R857 PolarHBondContact O-N 2.82Å; G854-R857 PolarHBondContact O-N 2.98Å; M855-R857 VanDerWaalsContact C-N 3.29Å; M855-R857 PolarHBondContact O-N 2.99Å; R857-M859 VanDerWaalsContact C-N 3.3Å; R857-M859 PolarHBondContact O-N 3.08Å; R857-R860 PolarHBondContact O-N 3.39Å; R857-A861 WeakPolarHBondContact O-CB 3.35Å; R857-A861 PolarHBondContact O-N 3.11Å |
| 858 | L | 88.8 | Confident | 80.6 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.4 | -44.8 | 177.2 | -174.7 | 69.9 | 0 | 0 | 0 | 111.4 | L808 T811 S812 L815 L838 G854 M855 R860 A861 F862 | L808-L858 HydrophobicContact CD2-CD2 3.75Å; T811-L858 HydrophobicContact CG2-CD1 3.65Å; S812-L858 WeakPolarHBondContact OG-CA 3.39Å; S812-L858 WeakPolarHBondContact OG-CB 3.32Å; S812-L858 PolarHBondContact OG-N 2.97Å; L815-L858 HydrophobicContact CD1-CD1 3.67Å; L838-L858 HydrophobicContact CD1-CD2 3.89Å; L838-L858 HydrophobicContact CD2-CD2 3.52Å; L838-L858 HydrophobicContact CG-CD2 4.37Å; G854-L858 PolarHBondContact O-N 3.07Å; G854-L858 VanDerWaalsContact O-N 3.07Å; M855-L858 WeakPolarHBondContact O-CB 3.5Å; M855-L858 PolarHBondContact O-N 3.37Å; M855-L858 VanDerWaalsContact O-N 3.12Å; M855-L858 HydrophobicContact SD-CD2 4.29Å; L858-R860 PolarHBondContact O-N 3.39Å; L858-A861 PolarHBondContact O-N 3.34Å; L858-F862 VanDerWaalsContact O-CB 3.3Å; L858-F862 WeakPolarHBondContact O-CB 3.38Å; L858-F862 PolarHBondContact O-N 3.23Å |
| 859 | M | 89.5 | Confident | 79.9 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 177.1 | -68.3 | -61.6 | 156 | 0 | 0 | 112 | M855 R857 F862 G863 F879 C934 A937 L938 | M855-M859 HydrophobicContact CG-CE 3.94Å; M855-M859 HydrophobicContact CG-CG 4.39Å; M855-M859 VanDerWaalsContact O-CG 3.22Å; M855-M859 WeakPolarHBondContact O-CG 3.14Å; M855-M859 PolarHBondContact O-N 3.22Å; M855-M859 HydrophobicContact SD-CE 3.39Å; M855-M859 WeakPolarHBondContact SD-CE 3.49Å; R857-M859 VanDerWaalsContact C-N 3.3Å; R857-M859 PolarHBondContact O-N 3.08Å; M859-F862 PolarHBondContact O-N 2.88Å; M859-G863 PolarHBondContact O-N 3.26Å; M859-F879 HydrophobicContact CE-CE1 3.92Å; M859-F879 HydrophobicContact CE-CZ 3.85Å; M859-F879 HydrophobicContact SD-CE1 3.62Å; M859-F879 HydrophobicContact SD-CZ 4.09Å; M859-C934 HydrophobicContact CE-CB 4.4Å; M859-C934 HydrophobicContact CG-CB 3.92Å; M859-C934 HydrophobicContact SD-CB 4.31Å; M859-A937 HydrophobicContact CB-CB 3.9Å; M859-L938 HydrophobicContact CB-CD2 4.22Å; M859-L938 HydrophobicContact CB-CG 4.02Å; M859-L938 HydrophobicContact CG-CG 4.4Å; M859-L938 WeakPolarHBondContact O-CD2 3.27Å; M859-L938 HydrophobicContact SD-CD1 3.7Å; M859-L938 HydrophobicContact SD-CD2 4.02Å; M859-L938 HydrophobicContact SD-CG 3.82Å |
| 860 | R | 88.7 | Confident | 79.3 | Confident | 93 Ų | 93 | 36.7 Ų | 36.7 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.7 | -46.8 | 175.5 | -68.7 | 176.5 | -166.3 | 102.4 | -14.8 | 111.7 | L856 R857 L858 F862 G863 H864 A937 | L856-R860 VanDerWaalsContact O-CG 3.32Å; L856-R860 WeakPolarHBondContact O-CG 3.29Å; L856-R860 PolarHBondContact O-N 3.32Å; L856-R860 VanDerWaalsContact O-N 3.1Å; L856-R860 PolarHBondContact O-NH1 3.19Å; L856-R860 VanDerWaalsContact O-NH1 3.09Å; R857-R860 PolarHBondContact O-N 3.39Å; L858-R860 PolarHBondContact O-N 3.39Å; R860-F862 VanDerWaalsContact C-N 3.29Å; R860-F862 PolarHBondContact O-N 3.37Å; R860-G863 PolarHBondContact O-N 3.3Å; R860-H864 WeakPolarHBondContact O-CB 3.45Å; R860-H864 PolarHBondContact O-N 3.48Å; R860-A937 HydrophobicContact CG-CB 4.14Å |
| 861 | A | 85.4 | Confident | 79.1 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 5% | 0.05 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L815 E816 R857 L858 H864 L865 | L815-A861 HydrophobicContact CB-CB 3.93Å; L815-A861 HydrophobicContact CD1-CB 4.41Å; E816-A861 HydrophobicContact CG-CB 3.84Å; R857-A861 WeakPolarHBondContact O-CB 3.35Å; R857-A861 PolarHBondContact O-N 3.11Å; L858-A861 PolarHBondContact O-N 3.34Å; A861-H864 PolarHBondContact O-N 3.15Å; A861-L865 PolarHBondContact O-N 2.71Å |
| 862 | F | 84.1 | Confident | 78.4 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 175.2 | -169 | -86.8 | 0 | 0 | 0 | 112.3 | L815 F826 V829 I830 L858 M859 R860 L876 F879 L938 | L815-F862 HydrophobicContact CD1-CB 4.49Å; F826-F862 AromaticContact CD2-CD2 3.92Å; F826-F862 HydrophobicContact CD2-CD2 3.92Å; F826-F862 AromaticContact CD2-CE2 3.71Å; F826-F862 HydrophobicContact CD2-CE2 3.71Å; F826-F862 HydrophobicContact CD2-CZ 4.34Å; F826-F862 HydrophobicContact CE2-CD1 4.46Å; F826-F862 AromaticContact CE2-CD2 3.8Å; F826-F862 HydrophobicContact CE2-CD2 3.8Å; F826-F862 HydrophobicContact CE2-CE1 4.09Å; F826-F862 AromaticContact CE2-CE2 3.35Å; F826-F862 HydrophobicContact CE2-CE2 3.35Å; F826-F862 HydrophobicContact CE2-CG 4.34Å; F826-F862 AromaticContact CE2-CZ 3.52Å; F826-F862 HydrophobicContact CE2-CZ 3.52Å; F826-F862 HydrophobicContact CZ-CE2 4.14Å; F826-F862 AromaticContact CZ-CZ 3.98Å; F826-F862 HydrophobicContact CZ-CZ 3.98Å; V829-F862 HydrophobicContact CG1-CD2 4.4Å; V829-F862 HydrophobicContact CG1-CE2 4.32Å; I830-F862 HydrophobicContact CD1-CE2 4.35Å; I830-F862 HydrophobicContact CD1-CZ 4.15Å; I830-F862 HydrophobicContact CG1-CE2 4.06Å; I830-F862 HydrophobicContact CG1-CZ 4.14Å; L858-F862 VanDerWaalsContact O-CB 3.3Å; L858-F862 WeakPolarHBondContact O-CB 3.38Å; L858-F862 PolarHBondContact O-N 3.23Å; M859-F862 PolarHBondContact O-N 2.88Å; R860-F862 VanDerWaalsContact C-N 3.29Å; R860-F862 PolarHBondContact O-N 3.37Å; F862-L876 HydrophobicContact CD1-CD1 4.34Å; F862-L876 HydrophobicContact CE1-CD1 4.29Å; F862-F879 HydrophobicContact CE1-CB 4.09Å; F862-F879 HydrophobicContact CE1-CD1 4.34Å; F862-F879 HydrophobicContact CE1-CD2 4.36Å; F862-F879 HydrophobicContact CE1-CG 4.01Å; F862-F879 HydrophobicContact CZ-CB 4.33Å; F862-F879 HydrophobicContact CZ-CD2 4.11Å; F862-F879 HydrophobicContact CZ-CG 4.2Å; F862-L938 HydrophobicContact CB-CD2 4.23Å; F862-L938 HydrophobicContact CD1-CD2 3.79Å; F862-L938 HydrophobicContact CG-CD2 4.43Å |
| 863 | G | 81.4 | Confident | 77.6 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 6% | 0.062 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -36.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | M859 R860 | M859-G863 PolarHBondContact O-N 3.26Å; R860-G863 PolarHBondContact O-N 3.3Å |
| 864 | H | 81.2 | Confident | 77.1 | Confident | 96 Ų | 96 | 43.2 Ų | 43.2 | 44% | 0.444 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.8 | -41.9 | -176.6 | -170 | 88.4 | 0 | 0 | 0 | 113.4 | R860 A861 K866 E941 | R860-H864 WeakPolarHBondContact O-CB 3.45Å; R860-H864 PolarHBondContact O-N 3.48Å; A861-H864 PolarHBondContact O-N 3.15Å; H864-K866 PolarHBondContact O-N 3.04Å; H864-E941 IonicContact ND1-OE2 2.69Å; H864-E941 PolarHBondContact ND1-OE2 3.45Å |
| 865 | L | 73.3 | Confident | 76.6 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 19% | 0.188 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -22.4 | -178.4 | -97.1 | 152.3 | 0 | 0 | 0 | 114.2 | L815 A822 F826 A861 | L815-L865 HydrophobicContact CB-CD1 3.95Å; L815-L865 HydrophobicContact CD2-CD1 3.83Å; L815-L865 HydrophobicContact CG-CD1 4.41Å; L815-L865 WeakPolarHBondContact O-CD1 3.26Å; A822-L865 HydrophobicContact CB-CD1 4.2Å; A822-L865 HydrophobicContact CB-CD2 3.85Å; F826-L865 HydrophobicContact CD2-CD1 4.43Å; A861-L865 PolarHBondContact O-N 2.71Å |
| 866 | K | 66.6 | Low | 76.1 | Confident | 33 Ų | 33 | 45 Ų | 45 | 14% | 0.143 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 20.1 | -168 | -67.1 | -50.8 | -160.2 | 178.8 | 0 | 114.9 | F826 H864 T868 | F826-K866 HydrophobicContact CE2-CG 3.93Å; F826-K866 HydrophobicContact CZ-CD 4.19Å; F826-K866 HydrophobicContact CZ-CG 3.8Å; H864-K866 PolarHBondContact O-N 3.04Å; K866-T868 PolarHBondContact O-N 2.69Å; K866-T868 VanDerWaalsContact O-N 3.13Å |
| 867 | K | 60.4 | Low | 75.5 | Confident | 82 Ų | 82 | 45 Ų | 45 | 36% | 0.357 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -55.5 | -30 | 179.3 | -69.8 | -171.1 | -171.1 | -162.6 | 0 | 114.8 | E941 | K867-E941 WeakPolarHBondContact CD-O 3.44Å; K867-E941 WeakPolarHBondContact CE-O 3.44Å; K867-E941 WeakPolarHBondContact CE-OE2 3.39Å; K867-E941 WeakPolarHBondContact CG-O 3.35Å; K867-E941 PolarHBondContact NZ-O 3.06Å; K867-E941 IonicContact NZ-OE2 3.48Å; K867-E941 PolarHBondContact NZ-OE2 3.28Å |
| 868 | T | 54.8 | Low | 75 | Confident | 110 Ų | 110 | 47.3 Ų | 47.3 | 68% | 0.675 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -108.7 | -30.8 | -167.6 | 52.2 | 0 | 0 | 0 | 0 | 115.2 | K866 | K866-T868 PolarHBondContact O-N 2.69Å; K866-T868 VanDerWaalsContact O-N 3.13Å |
| 869 | D | 64.6 | Low | 74.7 | Confident | 82 Ų | 82 | 47.4 Ų | 47.4 | 44% | 0.439 | 24% | 0.241 | S | C | . | . | trans | -91.8 | 131.6 | -165.2 | -61.1 | -3.3 | 0 | 0 | 0 | 111.7 | N871 G872 R873 | D869-N871 VanDerWaalsContact C-N 3.3Å; D869-N871 PolarHBondContact O-N 2.73Å; D869-G872 WeakPolarHBondContact O-CA 3.31Å; D869-G872 PolarHBondContact O-N 2.76Å; D869-R873 PolarHBondContact O-N 3.12Å | ||
| 870 | A | 67.1 | Low | 74.4 | Confident | 52 Ų | 52 | 47.3 Ų | 47.3 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.7 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | G872 R873 Q874 | A870-G872 VanDerWaalsContact C-N 3.27Å; A870-G872 PolarHBondContact O-N 3.06Å; A870-R873 PolarHBondContact O-N 2.86Å; A870-Q874 PolarHBondContact O-N 3.3Å; A870-Q874 VanDerWaalsContact O-N 3.12Å |
| 871 | N | 69.9 | Low | 74.1 | Confident | 99 Ų | 99 | 43.9 Ų | 43.9 | 53% | 0.529 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.2 | -35.7 | 174.2 | -168.5 | 14.4 | 0 | 0 | 0 | 111.9 | D869 Q874 Q875 | D869-N871 VanDerWaalsContact C-N 3.3Å; D869-N871 PolarHBondContact O-N 2.73Å; N871-Q874 PolarHBondContact O-N 3.27Å; N871-Q875 WeakPolarHBondContact O-CG 3.29Å; N871-Q875 PolarHBondContact O-N 3.45Å; N871-Q875 VanDerWaalsContact O-N 3.08Å |
| 872 | G | 68.1 | Low | 74 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D869 A870 Q875 L876 | D869-G872 WeakPolarHBondContact O-CA 3.31Å; D869-G872 PolarHBondContact O-N 2.76Å; A870-G872 VanDerWaalsContact C-N 3.27Å; A870-G872 PolarHBondContact O-N 3.06Å; G872-Q875 PolarHBondContact O-N 2.92Å; G872-L876 PolarHBondContact O-N 3.22Å |
| 873 | R | 69.5 | Low | 74 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 27% | 0.272 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 174.9 | -76.8 | -175.9 | -86.3 | 173.6 | -9.9 | 111.9 | D869 A870 Q875 L876 T877 | D869-R873 PolarHBondContact O-N 3.12Å; A870-R873 PolarHBondContact O-N 2.86Å; R873-Q875 VanDerWaalsContact C-N 3.34Å; R873-Q875 PolarHBondContact O-N 3.41Å; R873-L876 WeakPolarHBondContact O-CB 3.42Å; R873-L876 PolarHBondContact O-N 3.13Å; R873-T877 PolarHBondContact O-N 2.94Å; R873-T877 PolarHBondContact O-OG1 3.2Å |
| 874 | Q | 72.2 | Confident | 74.1 | Confident | 91 Ų | 91 | 48.1 Ų | 48.1 | 43% | 0.425 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 175.2 | -69.3 | 177.9 | -0.4 | 0 | 0 | 112.2 | A870 N871 T877 L878 D958 | A870-Q874 PolarHBondContact O-N 3.3Å; A870-Q874 VanDerWaalsContact O-N 3.12Å; N871-Q874 PolarHBondContact O-N 3.27Å; Q874-T877 WeakPolarHBondContact O-CB 3.29Å; Q874-T877 PolarHBondContact O-N 3.2Å; Q874-L878 WeakPolarHBondContact O-CG 3.42Å; Q874-L878 PolarHBondContact O-N 3.49Å; Q874-D958 VanDerWaalsContact CG-OD1 3.28Å; Q874-D958 WeakPolarHBondContact CG-OD1 3.44Å; Q874-D958 PolarHBondContact NE2-OD2 3.46Å |
| 875 | Q | 75.2 | Confident | 74 | Confident | 27 Ų | 27 | 45.3 Ų | 45.3 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.7 | -38.3 | 175.8 | -69.9 | 173.3 | -39.1 | 0 | 0 | 112.4 | F826 I830 N871 G872 R873 T877 L878 F879 | F826-Q875 HydrophobicContact CZ-CB 4.31Å; I830-Q875 HydrophobicContact CD1-CB 4.18Å; I830-Q875 HydrophobicContact CD1-CG 4.26Å; N871-Q875 WeakPolarHBondContact O-CG 3.29Å; N871-Q875 PolarHBondContact O-N 3.45Å; N871-Q875 VanDerWaalsContact O-N 3.08Å; G872-Q875 PolarHBondContact O-N 2.92Å; R873-Q875 VanDerWaalsContact C-N 3.34Å; R873-Q875 PolarHBondContact O-N 3.41Å; Q875-T877 VanDerWaalsContact C-N 3.34Å; Q875-L878 PolarHBondContact O-N 3.04Å; Q875-F879 WeakPolarHBondContact O-CB 3.28Å; Q875-F879 PolarHBondContact O-N 3.21Å |
| 876 | L | 78.4 | Confident | 73.9 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 172.1 | -175.4 | 66.3 | 0 | 0 | 0 | 111.3 | F862 G872 R873 L878 F879 L880 L938 L942 L961 | F862-L876 HydrophobicContact CD1-CD1 4.34Å; F862-L876 HydrophobicContact CE1-CD1 4.29Å; G872-L876 PolarHBondContact O-N 3.22Å; R873-L876 WeakPolarHBondContact O-CB 3.42Å; R873-L876 PolarHBondContact O-N 3.13Å; L876-L878 VanDerWaalsContact C-N 3.35Å; L876-L878 PolarHBondContact O-N 3.24Å; L876-F879 PolarHBondContact O-N 3.45Å; L876-L880 HydrophobicContact CG-CD1 4.11Å; L876-L880 WeakPolarHBondContact O-CB 3.04Å; L876-L880 WeakPolarHBondContact O-CG 3.48Å; L876-L880 PolarHBondContact O-N 3.25Å; L876-L938 HydrophobicContact CD1-CB 4.29Å; L876-L938 HydrophobicContact CD1-CD2 3.92Å; L876-L942 HydrophobicContact CD2-CD2 4.03Å; L876-L961 HydrophobicContact CD2-CD1 4.37Å; L876-L961 HydrophobicContact CG-CD1 4.33Å |
| 877 | T | 77.4 | Confident | 74.2 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 173.8 | -50.6 | 0 | 0 | 0 | 0 | 111.4 | R873 Q874 Q875 F879 L880 S881 L961 | R873-T877 PolarHBondContact O-N 2.94Å; R873-T877 PolarHBondContact O-OG1 3.2Å; Q874-T877 WeakPolarHBondContact O-CB 3.29Å; Q874-T877 PolarHBondContact O-N 3.2Å; Q875-T877 VanDerWaalsContact C-N 3.34Å; T877-F879 VanDerWaalsContact C-N 3.34Å; T877-L880 PolarHBondContact O-N 3.14Å; T877-S881 WeakPolarHBondContact O-CB 3.27Å; T877-S881 PolarHBondContact O-N 3.01Å; T877-S881 PolarHBondContact O-OG 2.95Å; T877-L961 HydrophobicContact CG2-CD1 4.48Å; T877-L961 WeakPolarHBondContact OG1-CD1 3.29Å |
| 878 | L | 78.1 | Confident | 74.6 | Confident | 81 Ų | 81 | 42.2 Ų | 42.2 | 42% | 0.424 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 176.6 | -70.2 | 172.4 | 0 | 0 | 0 | 111.9 | Q874 Q875 L876 S881 R882 | Q874-L878 WeakPolarHBondContact O-CG 3.42Å; Q874-L878 PolarHBondContact O-N 3.49Å; Q875-L878 PolarHBondContact O-N 3.04Å; L876-L878 VanDerWaalsContact C-N 3.35Å; L876-L878 PolarHBondContact O-N 3.24Å; L878-S881 PolarHBondContact O-OG 3.34Å; L878-R882 WeakPolarHBondContact O-CB 3.46Å; L878-R882 WeakPolarHBondContact O-CG 3.49Å; L878-R882 PolarHBondContact O-N 3.29Å; L878-R882 VanDerWaalsContact O-N 3.11Å |
| 879 | F | 83.1 | Confident | 74.6 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.2 | -45.1 | 177 | -168.4 | -97.6 | 0 | 0 | 0 | 111.6 | L835 M859 F862 Q875 L876 T877 R882 L883 L938 | L835-F879 HydrophobicContact CD1-CD2 3.29Å; L835-F879 HydrophobicContact CD1-CE2 3.18Å; L835-F879 HydrophobicContact CD1-CZ 4.37Å; M859-F879 HydrophobicContact CE-CE1 3.92Å; M859-F879 HydrophobicContact CE-CZ 3.85Å; M859-F879 HydrophobicContact SD-CE1 3.62Å; M859-F879 HydrophobicContact SD-CZ 4.09Å; F862-F879 HydrophobicContact CE1-CB 4.09Å; F862-F879 HydrophobicContact CE1-CD1 4.34Å; F862-F879 HydrophobicContact CE1-CD2 4.36Å; F862-F879 HydrophobicContact CE1-CG 4.01Å; F862-F879 HydrophobicContact CZ-CB 4.33Å; F862-F879 HydrophobicContact CZ-CD2 4.11Å; F862-F879 HydrophobicContact CZ-CG 4.2Å; Q875-F879 WeakPolarHBondContact O-CB 3.28Å; Q875-F879 PolarHBondContact O-N 3.21Å; L876-F879 PolarHBondContact O-N 3.45Å; T877-F879 VanDerWaalsContact C-N 3.34Å; F879-R882 PolarHBondContact O-N 3.41Å; F879-L883 HydrophobicContact CD1-CD1 3.9Å; F879-L883 HydrophobicContact CD1-CG 4.33Å; F879-L883 HydrophobicContact CE1-CD1 3.64Å; F879-L883 HydrophobicContact CE1-CG 4.11Å; F879-L883 PolarHBondContact O-N 2.88Å; F879-L938 HydrophobicContact CD1-CD1 3.71Å; F879-L938 HydrophobicContact CE1-CD1 3.76Å |
| 880 | L | 83.4 | Confident | 73.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -42.8 | 176.7 | -74.2 | 171 | 0 | 0 | 0 | 112.2 | L876 T877 R882 L883 L884 I935 L938 L939 L961 | L876-L880 HydrophobicContact CG-CD1 4.11Å; L876-L880 WeakPolarHBondContact O-CB 3.04Å; L876-L880 WeakPolarHBondContact O-CG 3.48Å; L876-L880 PolarHBondContact O-N 3.25Å; T877-L880 PolarHBondContact O-N 3.14Å; L880-R882 PolarHBondContact O-N 2.8Å; L880-L883 PolarHBondContact O-N 3.24Å; L880-L884 WeakPolarHBondContact O-CG 3.12Å; L880-L884 PolarHBondContact O-N 3.33Å; L880-I935 HydrophobicContact CD2-CG1 4.43Å; L880-I935 HydrophobicContact CD2-CG2 3.99Å; L880-L938 HydrophobicContact CD2-CD1 3.85Å; L880-L939 HydrophobicContact CD1-CD2 3.83Å; L880-L961 HydrophobicContact CD1-CD1 3.83Å; L880-L961 HydrophobicContact CD1-CD2 3.87Å |
| 881 | S | 81.4 | Confident | 73 | Confident | 20 Ų | 20 | 45.6 Ų | 45.6 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -34.7 | 177 | 71 | 0 | 0 | 0 | 0 | 111.3 | T877 L878 L884 A885 | T877-S881 WeakPolarHBondContact O-CB 3.27Å; T877-S881 PolarHBondContact O-N 3.01Å; T877-S881 PolarHBondContact O-OG 2.95Å; L878-S881 PolarHBondContact O-OG 3.34Å; S881-L884 PolarHBondContact O-N 3.29Å; S881-A885 WeakPolarHBondContact O-CA 3.32Å; S881-A885 VanDerWaalsContact O-CB 3.3Å; S881-A885 WeakPolarHBondContact O-CB 3.18Å; S881-A885 PolarHBondContact O-N 3.24Å |
| 882 | R | 83.4 | Confident | 71.9 | Confident | 107 Ų | 107 | 48.2 Ų | 48.2 | 40% | 0.404 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -70.6 | -37.7 | 174.5 | -70 | -70.9 | -66.5 | 174.6 | -3.2 | 113.5 | I839 L878 F879 L880 L884 | I839-R882 HydrophobicContact CD1-CB 3.61Å; I839-R882 HydrophobicContact CD1-CG 4.31Å; I839-R882 HydrophobicContact CG1-CB 4.35Å; L878-R882 WeakPolarHBondContact O-CB 3.46Å; L878-R882 WeakPolarHBondContact O-CG 3.49Å; L878-R882 PolarHBondContact O-N 3.29Å; L878-R882 VanDerWaalsContact O-N 3.11Å; F879-R882 PolarHBondContact O-N 3.41Å; L880-R882 PolarHBondContact O-N 2.8Å; R882-L884 PolarHBondContact O-N 3.5Å |
| 883 | L | 85 | Confident | 70.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64 | -30.4 | 172.4 | -73.2 | 177.4 | 0 | 0 | 0 | 112.3 | I839 A842 H843 F879 L880 L931 I935 L938 | I839-L883 HydrophobicContact CG1-CD2 4.46Å; A842-L883 HydrophobicContact CB-CD2 3.84Å; H843-L883 PolarHBondContact CE1-O 3.44Å; H843-L883 PolarHBondContact NE2-O 3.26Å; F879-L883 HydrophobicContact CD1-CD1 3.9Å; F879-L883 HydrophobicContact CD1-CG 4.33Å; F879-L883 HydrophobicContact CE1-CD1 3.64Å; F879-L883 HydrophobicContact CE1-CG 4.11Å; F879-L883 PolarHBondContact O-N 2.88Å; L880-L883 PolarHBondContact O-N 3.24Å; L883-L931 HydrophobicContact CB-CD1 4.32Å; L883-L931 HydrophobicContact CD2-CD1 4.15Å; L883-I935 HydrophobicContact CD1-CG1 4.05Å; L883-L938 HydrophobicContact CD1-CD1 3.87Å |
| 884 | L | 83.6 | Confident | 69.6 | Low | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -94.9 | -19.4 | -178 | -67.5 | 164.2 | 0 | 0 | 0 | 114.1 | L880 S881 R882 P886 I887 E888 F899 I935 L987 | L880-L884 WeakPolarHBondContact O-CG 3.12Å; L880-L884 PolarHBondContact O-N 3.33Å; S881-L884 PolarHBondContact O-N 3.29Å; R882-L884 PolarHBondContact O-N 3.5Å; L884-P886 VanDerWaalsContact C-CD 3.48Å; L884-I887 WeakPolarHBondContact O-CA 3.45Å; L884-I887 WeakPolarHBondContact O-CB 3.31Å; L884-I887 PolarHBondContact O-N 2.72Å; L884-E888 HydrophobicContact CB-CG 4.3Å; L884-E888 PolarHBondContact O-N 2.67Å; L884-F899 HydrophobicContact CD1-CD2 3.44Å; L884-F899 VanDerWaalsContact CD1-CD2 3.44Å; L884-F899 HydrophobicContact CD1-CE2 3.36Å; L884-I935 HydrophobicContact CD2-CD1 3.92Å; L884-I935 HydrophobicContact CG-CD1 4.39Å; L884-L987 HydrophobicContact CD2-CD2 3.72Å |
| 885 | A | 77.9 | Confident | 68.3 | Low | 37 Ų | 37 | 58.3 Ų | 58.3 | 31% | 0.306 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -50.7 | -42.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S881 I887 E888 S889 | S881-A885 WeakPolarHBondContact O-CA 3.32Å; S881-A885 VanDerWaalsContact O-CB 3.3Å; S881-A885 WeakPolarHBondContact O-CB 3.18Å; S881-A885 PolarHBondContact O-N 3.24Å; A885-I887 PolarHBondContact O-N 3.02Å; A885-E888 PolarHBondContact O-N 3.5Å; A885-S889 WeakPolarHBondContact O-CB 3.2Å; A885-S889 PolarHBondContact O-N 3.22Å; A885-S889 PolarHBondContact O-OG 3.49Å |
| 886 | P | 72.3 | Confident | 66.9 | Low | 36 Ų | 36 | 62.5 Ų | 62.5 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.5 | -15.4 | 178.5 | -25.4 | 38.9 | 0 | 0 | 0 | 114.8 | H843 L884 V923 | H843-P886 VanDerWaalsContact CE1-CG 3.48Å; H843-P886 WeakPolarHBondContact CE1-CG 3.48Å; L884-P886 VanDerWaalsContact C-CD 3.48Å; P886-V923 HydrophobicContact CB-CG2 3.63Å; P886-V923 HydrophobicContact CG-CG2 4.45Å |
| 887 | I | 72.2 | Confident | 65.8 | Low | 11 Ų | 11 | 63.8 Ų | 63.8 | 6% | 0.056 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -99 | -37 | -179.7 | -50.6 | 175 | 0 | 0 | 0 | 109.7 | L884 A885 V923 L928 L931 T983 Q984 L987 | L884-I887 WeakPolarHBondContact O-CA 3.45Å; L884-I887 WeakPolarHBondContact O-CB 3.31Å; L884-I887 PolarHBondContact O-N 2.72Å; A885-I887 PolarHBondContact O-N 3.02Å; I887-V923 HydrophobicContact CD1-CG2 4.39Å; I887-V923 HydrophobicContact CG1-CB 4.44Å; I887-V923 HydrophobicContact CG1-CG2 3.87Å; I887-L928 HydrophobicContact CD1-CD2 4.02Å; I887-L931 HydrophobicContact CD1-CD2 3.74Å; I887-T983 HydrophobicContact CG2-CG2 4.26Å; I887-Q984 HydrophobicContact CG2-CB 4.24Å; I887-L987 HydrophobicContact CD1-CD2 3.38Å |
| 888 | E | 68.7 | Low | 65 | Low | 38 Ų | 38 | 64.9 Ų | 64.9 | 18% | 0.178 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -74.3 | -29.2 | 177.8 | -67.6 | -173.6 | 151.2 | 0 | 0 | 113.4 | L884 A885 N890 H891 T897 L898 | L884-E888 HydrophobicContact CB-CG 4.3Å; L884-E888 PolarHBondContact O-N 2.67Å; A885-E888 PolarHBondContact O-N 3.5Å; E888-N890 PolarHBondContact O-N 3.26Å; E888-H891 PolarHBondContact O-N 2.98Å; E888-T897 WeakPolarHBondContact OE2-CB 3.27Å; E888-T897 WeakPolarHBondContact OE2-CG2 3.46Å; E888-L898 PolarHBondContact OE1-N 3.4Å |
| 889 | S | 55.6 | Low | 64.2 | Low | 80 Ų | 80 | 61.3 Ų | 61.3 | 56% | 0.559 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -11.1 | -175.7 | 65.9 | 0 | 0 | 0 | 0 | 115.2 | A885 H891 | A885-S889 WeakPolarHBondContact O-CB 3.2Å; A885-S889 PolarHBondContact O-N 3.22Å; A885-S889 PolarHBondContact O-OG 3.49Å; S889-H891 PolarHBondContact O-N 3.3Å |
| 890 | N | 49.5 | Very low | 62.6 | Low | 138 Ų | 138 | 62.5 Ų | 62.5 | 74% | 0.738 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -3.6 | 173.8 | -87.3 | -11 | 0 | 0 | 0 | 113.8 | E888 | E888-N890 PolarHBondContact O-N 3.26Š|
| 891 | H | 48.1 | Very low | 60.6 | Low | 98 Ų | 98 | 65.9 Ų | 65.9 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | trans | -103.4 | 84.2 | -178.3 | -140.9 | 39.8 | 0 | 0 | 0 | 112.1 | E888 S889 N893 | E888-H891 PolarHBondContact O-N 2.98Å; S889-H891 PolarHBondContact O-N 3.3Å; H891-N893 PolarHBondContact O-N 3.12Å; H891-N893 VanDerWaalsContact O-N 3.15Å | ||
| 892 | N | 46 | Very low | 58.6 | Low | 154 Ų | 154 | 70.4 Ų | 70.4 | 82% | 0.824 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 0.1 | -176 | -95.1 | -7.8 | 0 | 0 | 0 | 116.2 | ||
| 893 | N | 45.7 | Very low | 56.4 | Low | 147 Ų | 147 | 69.3 Ų | 69.3 | 79% | 0.786 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.9 | -6.2 | -169.5 | -84.3 | -9.4 | 0 | 0 | 0 | 117.9 | H891 | H891-N893 PolarHBondContact O-N 3.12Å; H891-N893 VanDerWaalsContact O-N 3.15Å |
| 894 | N | 45.3 | Very low | 53.8 | Low | 94 Ų | 94 | 73 Ų | 73 | 50% | 0.503 | 43% | 0.427 | S | S | . | . | trans | -130.3 | 109.9 | 176.7 | -73.2 | -21.4 | 0 | 0 | 0 | 110.2 | T896 | N894-T896 PolarHBondContact O-N 3.41Š| ||
| 895 | N | 43.6 | Very low | 51.4 | Low | 133 Ų | 133 | 80.6 Ų | 80.6 | 71% | 0.711 | 47% | 0.466 | S | S | * | . | trans | -69.1 | 15.7 | -179.1 | -76.5 | -17.1 | 0 | 0 | 0 | 114.7 | ||||
| 896 | T | 45.3 | Very low | 49.2 | Very low | 115 Ų | 115 | 83.4 Ų | 83.4 | 71% | 0.706 | 48% | 0.483 | S | S | * | . | trans | -104.3 | 96.6 | 178.6 | 52.7 | 0 | 0 | 0 | 0 | 109.6 | N894 | N894-T896 PolarHBondContact O-N 3.41Š| ||
| 897 | T | 56.2 | Low | 47.2 | Very low | 38 Ų | 38 | 86 Ų | 86 | 23% | 0.233 | 50% | 0.502 | C | S | . | . | trans | -68.5 | 155.2 | 169.1 | 51.8 | 0 | 0 | 0 | 0 | 110.4 | E888 F899 G900 H901 | E888-T897 WeakPolarHBondContact OE2-CB 3.27Å; E888-T897 WeakPolarHBondContact OE2-CG2 3.46Å; T897-F899 PolarHBondContact O-N 2.92Å; T897-G900 PolarHBondContact O-N 3.36Å; T897-H901 WeakPolarHBondContact OG1-CA 3.48Å; T897-H901 PolarHBondContact OG1-N 3.38Å; T897-H901 PolarHBondContact OG1-O 2.92Å | ||
| 898 | L | 61.5 | Low | 45.3 | Very low | 29 Ų | 29 | 93 Ų | 93 | 15% | 0.152 | 54% | 0.538 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.3 | -171.3 | -166.5 | 139.5 | 0 | 0 | 0 | 112.9 | E888 L971 S974 | E888-L898 PolarHBondContact OE1-N 3.4Å; L898-L971 HydrophobicContact CD1-CD2 4.29Å; L898-L971 HydrophobicContact CD2-CD2 3.81Å; L898-S974 WeakPolarHBondContact CD1-OG 3.38Å |
| 899 | F | 60.5 | Low | 43.5 | Very low | 5 Ų | 5 | 98.4 Ų | 98.4 | 2% | 0.022 | 57% | 0.568 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -114.4 | 17.4 | 176.9 | -64 | -74.4 | 0 | 0 | 0 | 114.6 | L884 T897 L961 V967 | L884-F899 HydrophobicContact CD1-CD2 3.44Å; L884-F899 VanDerWaalsContact CD1-CD2 3.44Å; L884-F899 HydrophobicContact CD1-CE2 3.36Å; T897-F899 PolarHBondContact O-N 2.92Å; F899-L961 HydrophobicContact CD1-CD2 3.8Å; F899-L961 HydrophobicContact CD1-CG 4.48Å; F899-L961 HydrophobicContact CE1-CD2 3.91Å; F899-V967 HydrophobicContact CE1-CG1 3.93Å; F899-V967 HydrophobicContact CE1-CG2 4.37Å; F899-V967 HydrophobicContact CZ-CG1 4.21Å |
| 900 | G | 49.5 | Very low | 42.2 | Very low | 31 Ų | 31 | 101.7 Ų | 101.7 | 32% | 0.32 | 58% | 0.58 | S | S | . | * | trans | 82.1 | 28.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | T897 | T897-G900 PolarHBondContact O-N 3.36Š| ||
| 901 | H | 41.3 | Very low | 41.3 | Very low | 72 Ų | 72 | 102 Ų | 102 | 33% | 0.333 | 58% | 0.581 | S | S | . | * | trans | -96 | 116.6 | 172.6 | -139 | 74.3 | 0 | 0 | 0 | 112 | T897 S903 | T897-H901 WeakPolarHBondContact OG1-CA 3.48Å; T897-H901 PolarHBondContact OG1-N 3.38Å; T897-H901 PolarHBondContact OG1-O 2.92Å; H901-S903 PolarHBondContact O-N 3.25Å | ||
| 902 | N | 39.1 | Very low | 40.6 | Very low | 114 Ų | 114 | 105 Ų | 105 | 61% | 0.61 | 60% | 0.601 | S | S | * | * | trans | -69.6 | 114.7 | 168.5 | -84.4 | -21.5 | 0 | 0 | 0 | 109 | A904 | N902-A904 PolarHBondContact O-N 3.38Š| ||
| 903 | S | 36.6 | Very low | 39.8 | Very low | 85 Ų | 85 | 104.7 Ų | 104.7 | 59% | 0.594 | 60% | 0.599 | S | S | * | * | trans | -71 | 26.2 | 177.4 | -166.5 | 0 | 0 | 0 | 0 | 114.4 | H901 I905 S906 | H901-S903 PolarHBondContact O-N 3.25Å; S903-I905 PolarHBondContact O-N 2.98Å; S903-I905 VanDerWaalsContact O-N 3.15Å; S903-S906 PolarHBondContact O-OG 3.12Å | ||
| 904 | A | 32.2 | Very low | 39 | Very low | 78 Ų | 78 | 104.7 Ų | 104.7 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -74.9 | 1.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N902 | N902-A904 PolarHBondContact O-N 3.38Š|
| 905 | I | 33.2 | Very low | 38.2 | Very low | 159 Ų | 159 | 106.8 Ų | 106.8 | 82% | 0.815 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -84.9 | -7.3 | 177.6 | -64.3 | 176.9 | 0 | 0 | 0 | 112.7 | S903 | S903-I905 PolarHBondContact O-N 2.98Å; S903-I905 VanDerWaalsContact O-N 3.15Å |
| 906 | S | 31.8 | Very low | 37.4 | Very low | 97 Ų | 97 | 106.8 Ų | 106.8 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -93.9 | 4 | 178.7 | 48.7 | 0 | 0 | 0 | 0 | 115.9 | S903 | S903-S906 PolarHBondContact O-OG 3.12Š|
| 907 | S | 28.6 | Very low | 36.7 | Very low | 90 Ų | 90 | 106.2 Ų | 106.2 | 63% | 0.629 | 62% | 0.618 | S | S | * | * | trans | -96.4 | -5.7 | -177.7 | -165.3 | 0 | 0 | 0 | 0 | 115.9 | N909 | S907-N909 PolarHBondContact O-N 3.49Š| ||
| 908 | I | 32.6 | Very low | 35.2 | Very low | 157 Ų | 157 | 111.2 Ų | 111.2 | 81% | 0.805 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -95.6 | 70.8 | 174 | -52.2 | 170.3 | 0 | 0 | 0 | 109.1 | ||
| 909 | N | 31.1 | Very low | 33.7 | Very low | 153 Ų | 153 | 120.7 Ų | 120.7 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | trans | -174 | 51.5 | 153.3 | -97.7 | -13.6 | 0 | 0 | 0 | 110.4 | S907 N911 | S907-N909 PolarHBondContact O-N 3.49Å; N909-N911 PolarHBondContact O-N 3.01Å; N909-N911 VanDerWaalsContact O-N 3.09Å | ||
| 910 | N | 29.4 | Very low | 32.3 | Very low | 149 Ų | 149 | 126.5 Ų | 126.5 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | trans | -79.1 | 82.6 | 160.1 | -100 | -8 | 0 | 0 | 0 | 108.3 | ||||
| 911 | N | 30.5 | Very low | 32.1 | Very low | 144 Ų | 144 | 129.7 Ų | 129.7 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | -170.6 | 87.8 | 154.5 | -92.5 | -17.3 | 0 | 0 | 0 | 106.7 | N909 | N909-N911 PolarHBondContact O-N 3.01Å; N909-N911 VanDerWaalsContact O-N 3.09Å | ||
| 912 | N | 32.5 | Very low | 33 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 87% | 0.866 | 75% | 0.746 | S | S | * | * | trans | 178.6 | 136 | 133.4 | -86.7 | -21.2 | 0 | 0 | 0 | 111.4 | ||||
| 913 | N | 29.2 | Very low | 34.5 | Very low | 146 Ų | 146 | 125 Ų | 125 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | trans | -65.3 | 150.4 | -170.8 | -66.7 | -38.5 | 0 | 0 | 0 | 114.2 | ||||
| 914 | N | 28.9 | Very low | 36.3 | Very low | 147 Ų | 147 | 126 Ų | 126 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | trans | 54.8 | 89.6 | 145.1 | -61.9 | -9.6 | 0 | 0 | 0 | 117.8 | ||||
| 915 | T | 28.4 | Very low | 38.5 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | -178.4 | 99.5 | 129.9 | 22.6 | 0 | 0 | 0 | 0 | 106.4 | P917 | T915-P917 WeakPolarHBondContact O-CD 3.49Š| |||
| 916 | T | 27 | Very low | 40.8 | Very low | 132 Ų | 132 | 124.1 Ų | 124.1 | 81% | 0.81 | 69% | 0.691 | S | S | * | * | trans | -75 | 107.6 | 173 | 41.4 | 0 | 0 | 0 | 0 | 108.8 | N918 | T916-N918 PolarHBondContact O-N 3.29Š| ||
| 917 | P | 29.8 | Very low | 43.4 | Very low | 103 Ų | 103 | 119.5 Ų | 119.5 | 67% | 0.669 | 66% | 0.658 | S | S | * | * | trans | -79.1 | 118.7 | 162.7 | 12.2 | 8.2 | 0 | 0 | 0 | 106 | T915 R919 | T915-P917 WeakPolarHBondContact O-CD 3.49Å; P917-R919 VanDerWaalsContact C-N 3.31Å; P917-R919 PolarHBondContact O-N 3.41Å | ||
| 918 | N | 26.3 | Very low | 46.2 | Very low | 144 Ų | 144 | 115.3 Ų | 115.3 | 77% | 0.77 | 63% | 0.629 | S | S | * | * | trans | -53.2 | 90.2 | 173.9 | -80.4 | -19.3 | 0 | 0 | 0 | 110.8 | T916 T920 | T916-N918 PolarHBondContact O-N 3.29Å; N918-T920 PolarHBondContact O-N 3.08Å | ||
| 919 | R | 30.2 | Very low | 48.9 | Very low | 228 Ų | 228 | 109.3 Ų | 109.3 | 86% | 0.86 | 60% | 0.6 | S | S | * | * | trans | -84.2 | 68.8 | 165.6 | -73.6 | -173.2 | 179.5 | -178.4 | -0.6 | 108.7 | P917 | P917-R919 VanDerWaalsContact C-N 3.31Å; P917-R919 PolarHBondContact O-N 3.41Å | ||
| 920 | T | 31.1 | Very low | 51.6 | Low | 126 Ų | 126 | 102.3 Ų | 102.3 | 77% | 0.773 | 56% | 0.563 | S | S | * | * | trans | -100.6 | 61.5 | 163 | 55.5 | 0 | 0 | 0 | 0 | 108.2 | N918 G922 | N918-T920 PolarHBondContact O-N 3.08Å; T920-G922 PolarHBondContact O-N 3.47Å | ||
| 921 | S | 45.3 | Very low | 54.5 | Low | 99 Ų | 99 | 95.2 Ų | 95.2 | 69% | 0.692 | 53% | 0.525 | S | S | * | . | trans | -98 | 75 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 922 | G | 59.8 | Low | 57.4 | Low | 62 Ų | 62 | 88.4 Ų | 88.4 | 64% | 0.639 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 141.9 | 169 | 0 | 0 | 0 | 0 | 0 | 110.8 | T920 H924 | T920-G922 PolarHBondContact O-N 3.47Å; G922-H924 PolarHBondContact O-N 3.42Å |
| 923 | V | 69.4 | Low | 60.2 | Low | 25 Ų | 25 | 82 Ų | 82 | 15% | 0.152 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 130.5 | 174.6 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | H843 P886 I887 R925 A927 L928 | H843-V923 HydrophobicContact CB-CG1 4.49Å; P886-V923 HydrophobicContact CB-CG2 3.63Å; P886-V923 HydrophobicContact CG-CG2 4.45Å; I887-V923 HydrophobicContact CD1-CG2 4.39Å; I887-V923 HydrophobicContact CG1-CB 4.44Å; I887-V923 HydrophobicContact CG1-CG2 3.87Å; V923-R925 PolarHBondContact O-N 3.24Å; V923-A927 HydrophobicContact CG1-CB 4.03Å; V923-L928 HydrophobicContact CG1-CD2 4.13Å |
| 924 | H | 75.9 | Confident | 63.1 | Low | 105 Ų | 105 | 75 Ų | 75 | 49% | 0.486 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 134.1 | 176.9 | -168.4 | -80 | 0 | 0 | 0 | 110.4 | P845 G922 D926 A927 | P845-H924 HydrophobicContact CB-CB 4.45Å; P845-H924 HydrophobicContact CG-CB 4.38Å; G922-H924 PolarHBondContact O-N 3.42Å; H924-D926 IonicContact CE1-OD1 3.84Å; H924-D926 WeakPolarHBondContact ND1-CB 3.41Å; H924-D926 PolarHBondContact ND1-N 2.97Å; H924-D926 PolarHBondContact O-N 3.4Å; H924-D926 VanDerWaalsContact O-N 3.08Å; H924-A927 WeakPolarHBondContact O-CB 3.44Å; H924-A927 PolarHBondContact O-N 2.96Å |
| 925 | R | 77.5 | Confident | 66.1 | Low | 124 Ų | 124 | 68 Ų | 68 | 47% | 0.468 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -51.3 | -38.9 | -175.6 | -172.2 | -178 | 179.6 | -171.1 | 1.9 | 113 | V923 A927 L928 E1051 | V923-R925 PolarHBondContact O-N 3.24Å; R925-A927 PolarHBondContact O-N 3.21Å; R925-L928 HydrophobicContact CG-CD1 4.28Å; R925-L928 WeakPolarHBondContact O-CB 3.36Å; R925-L928 WeakPolarHBondContact O-CG 3.44Å; R925-L928 PolarHBondContact O-N 3.13Å; R925-E1051 PolarHBondContact NH2-O 3.34Å |
| 926 | D | 81.4 | Confident | 69 | Low | 75 Ų | 75 | 61.4 Ų | 61.4 | 40% | 0.401 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -63.3 | -18.4 | 178.4 | -79 | 25.1 | 0 | 0 | 0 | 115.8 | P845 R848 H924 | P845-D926 HydrophobicContact CB-CB 3.91Å; R848-D926 IonicContact CZ-OD2 3.1Å; R848-D926 VanDerWaalsContact NH2-CB 3.31Å; R848-D926 IonicContact NH2-OD2 3.78Å; R848-D926 PolarHBondContact NH2-OD2 3.25Å; H924-D926 IonicContact CE1-OD1 3.84Å; H924-D926 WeakPolarHBondContact ND1-CB 3.41Å; H924-D926 PolarHBondContact ND1-N 2.97Å; H924-D926 PolarHBondContact O-N 3.4Å; H924-D926 VanDerWaalsContact O-N 3.08Å |
| 927 | A | 85.8 | Confident | 72 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -84.7 | -21 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H843 V923 H924 R925 S930 L931 | H843-A927 WeakPolarHBondContact O-CB 3.44Å; V923-A927 HydrophobicContact CG1-CB 4.03Å; H924-A927 WeakPolarHBondContact O-CB 3.44Å; H924-A927 PolarHBondContact O-N 2.96Å; R925-A927 PolarHBondContact O-N 3.21Å; A927-S930 PolarHBondContact O-N 3.4Å; A927-S930 VanDerWaalsContact O-N 3.1Å; A927-L931 WeakPolarHBondContact O-CB 3.44Å; A927-L931 PolarHBondContact O-N 3.22Å |
| 928 | L | 88.7 | Confident | 74.8 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.9 | -40.4 | -175.3 | -59.2 | 174.1 | 0 | 0 | 0 | 113.7 | I887 V923 R925 S930 L931 A932 T983 Y986 L987 L990 | I887-L928 HydrophobicContact CD1-CD2 4.02Å; V923-L928 HydrophobicContact CG1-CD2 4.13Å; R925-L928 HydrophobicContact CG-CD1 4.28Å; R925-L928 WeakPolarHBondContact O-CB 3.36Å; R925-L928 WeakPolarHBondContact O-CG 3.44Å; R925-L928 PolarHBondContact O-N 3.13Å; L928-S930 PolarHBondContact O-N 3.22Å; L928-L931 PolarHBondContact O-N 3.2Å; L928-A932 VanDerWaalsContact O-CB 3.29Å; L928-A932 WeakPolarHBondContact O-CB 3.47Å; L928-A932 PolarHBondContact O-N 3.45Å; L928-T983 HydrophobicContact CD1-CG2 4.01Å; L928-T983 HydrophobicContact CD2-CG2 4.33Å; L928-Y986 HydrophobicContact CB-CD1 4.2Å; L928-Y986 HydrophobicContact CB-CE1 4.34Å; L928-Y986 HydrophobicContact CD1-CD1 3.63Å; L928-Y986 HydrophobicContact CD1-CE1 4.21Å; L928-Y986 HydrophobicContact CD1-CG 4.35Å; L928-L987 HydrophobicContact CD2-CB 4.48Å; L928-L990 HydrophobicContact CB-CD1 4.48Å |
| 929 | P | 88.6 | Confident | 77.7 | Confident | 31 Ų | 31 | 43.5 Ų | 43.5 | 20% | 0.201 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.8 | -34.5 | 176.3 | -21.5 | 34.3 | 0 | 0 | 0 | 114.4 | Q933 L990 | P929-Q933 WeakPolarHBondContact O-CG 3.21Å; P929-Q933 PolarHBondContact O-N 3.1Å; P929-Q933 PolarHBondContact O-NE2 3.34Å; P929-L990 HydrophobicContact CB-CD1 4.26Å; P929-L990 HydrophobicContact CG-CD1 4.05Å |
| 930 | S | 88 | Confident | 80.5 | Confident | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.5 | -42.8 | 175.9 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | L847 A927 L928 Q933 C934 | L847-S930 WeakPolarHBondContact O-CB 3.3Å; L847-S930 PolarHBondContact O-OG 3.38Å; A927-S930 PolarHBondContact O-N 3.4Å; A927-S930 VanDerWaalsContact O-N 3.1Å; L928-S930 PolarHBondContact O-N 3.22Å; S930-Q933 PolarHBondContact O-N 3.32Å; S930-C934 PolarHBondContact O-N 3.39Å; S930-C934 PolarHBondContact O-SG 2.9Å |
| 931 | L | 90.7 | Very high | 83 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 174.5 | -176.8 | 64.9 | 0 | 0 | 0 | 111.6 | A842 L883 I887 A927 L928 Q933 C934 I935 L987 | A842-L931 HydrophobicContact CB-CD1 4.21Å; L883-L931 HydrophobicContact CB-CD1 4.32Å; L883-L931 HydrophobicContact CD2-CD1 4.15Å; I887-L931 HydrophobicContact CD1-CD2 3.74Å; A927-L931 WeakPolarHBondContact O-CB 3.44Å; A927-L931 PolarHBondContact O-N 3.22Å; L928-L931 PolarHBondContact O-N 3.2Å; L931-Q933 VanDerWaalsContact C-N 3.32Å; L931-Q933 PolarHBondContact O-N 3Å; L931-C934 WeakPolarHBondContact O-CB 3.39Å; L931-C934 PolarHBondContact O-N 2.85Å; L931-C934 VanDerWaalsContact O-N 3.13Å; L931-I935 HydrophobicContact CD1-CD1 4.19Å; L931-I935 HydrophobicContact CG-CD1 3.91Å; L931-I935 WeakPolarHBondContact O-CG1 3.31Å; L931-I935 PolarHBondContact O-N 3Å; L931-L987 HydrophobicContact CB-CD1 4.46Å; L931-L987 HydrophobicContact CD2-CD1 4.22Å; L931-L987 HydrophobicContact CD2-CD2 3.94Å; L931-L987 HydrophobicContact CG-CD1 4.34Å |
| 932 | A | 91.3 | Very high | 84.8 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.4 | -42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L928 I935 A936 L987 L990 I991 | L928-A932 VanDerWaalsContact O-CB 3.29Å; L928-A932 WeakPolarHBondContact O-CB 3.47Å; L928-A932 PolarHBondContact O-N 3.45Å; A932-I935 PolarHBondContact O-N 2.92Å; A932-A936 VanDerWaalsContact O-CB 3.22Å; A932-A936 WeakPolarHBondContact O-CB 3.47Å; A932-A936 PolarHBondContact O-N 3.22Å; A932-L987 HydrophobicContact CB-CD1 3.88Å; A932-L990 HydrophobicContact CB-CB 3.48Å; A932-L990 VanDerWaalsContact CB-CB 3.48Å; A932-L990 HydrophobicContact CB-CD1 4.46Å; A932-I991 HydrophobicContact CB-CG1 4.03Å |
| 933 | Q | 91.3 | Very high | 85.8 | Confident | 28 Ų | 28 | 24.3 Ų | 24.3 | 13% | 0.131 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 175.7 | -76.2 | 171.6 | 70.6 | 0 | 0 | 111.9 | L856 P929 S930 L931 A937 E994 | L856-Q933 HydrophobicContact CD1-CB 4.18Å; L856-Q933 HydrophobicContact CD2-CB 3.63Å; L856-Q933 WeakPolarHBondContact CD2-O 3.43Å; P929-Q933 WeakPolarHBondContact O-CG 3.21Å; P929-Q933 PolarHBondContact O-N 3.1Å; P929-Q933 PolarHBondContact O-NE2 3.34Å; S930-Q933 PolarHBondContact O-N 3.32Å; L931-Q933 VanDerWaalsContact C-N 3.32Å; L931-Q933 PolarHBondContact O-N 3Å; Q933-A937 VanDerWaalsContact O-CB 3.23Å; Q933-A937 WeakPolarHBondContact O-CB 3.32Å; Q933-A937 PolarHBondContact O-N 2.61Å; Q933-E994 HydrophobicContact CG-CG 3.75Å; Q933-E994 VanDerWaalsContact CG-OE1 3.24Å; Q933-E994 WeakPolarHBondContact CG-OE1 3.44Å |
| 934 | C | 90.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.6 | -48.3 | 177.4 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | M855 L856 M859 S930 L931 A937 L938 | M855-C934 VanDerWaalsContact CG-SG 3.55Å; L856-C934 HydrophobicContact CD2-CB 4.4Å; M859-C934 HydrophobicContact CE-CB 4.4Å; M859-C934 HydrophobicContact CG-CB 3.92Å; M859-C934 HydrophobicContact SD-CB 4.31Å; S930-C934 PolarHBondContact O-N 3.39Å; S930-C934 PolarHBondContact O-SG 2.9Å; L931-C934 WeakPolarHBondContact O-CB 3.39Å; L931-C934 PolarHBondContact O-N 2.85Å; L931-C934 VanDerWaalsContact O-N 3.13Å; C934-A937 PolarHBondContact O-N 3.49Å; C934-L938 PolarHBondContact O-N 3.14Å; C934-L938 VanDerWaalsContact O-N 3.12Å |
| 935 | I | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 177.6 | -66.4 | 167.9 | 0 | 0 | 0 | 110.3 | L880 L883 L884 L931 A932 A937 L938 L939 L987 I991 | L880-I935 HydrophobicContact CD2-CG1 4.43Å; L880-I935 HydrophobicContact CD2-CG2 3.99Å; L883-I935 HydrophobicContact CD1-CG1 4.05Å; L884-I935 HydrophobicContact CD2-CD1 3.92Å; L884-I935 HydrophobicContact CG-CD1 4.39Å; L931-I935 HydrophobicContact CD1-CD1 4.19Å; L931-I935 HydrophobicContact CG-CD1 3.91Å; L931-I935 WeakPolarHBondContact O-CG1 3.31Å; L931-I935 PolarHBondContact O-N 3Å; A932-I935 PolarHBondContact O-N 2.92Å; I935-A937 VanDerWaalsContact C-N 3.29Å; I935-A937 PolarHBondContact O-N 3.1Å; I935-L938 WeakPolarHBondContact O-CB 3.31Å; I935-L938 PolarHBondContact O-N 3.04Å; I935-L939 HydrophobicContact CG2-CD1 3.59Å; I935-L939 HydrophobicContact CG2-CG 4.14Å; I935-L939 VanDerWaalsContact O-CG 3.29Å; I935-L939 WeakPolarHBondContact O-CG 3.46Å; I935-L939 PolarHBondContact O-N 3.34Å; I935-L987 HydrophobicContact CD1-CD2 4.42Å; I935-I991 HydrophobicContact CB-CD1 4.3Å; I935-I991 HydrophobicContact CB-CG1 4.32Å; I935-I991 HydrophobicContact CD1-CD1 3.89Å; I935-I991 HydrophobicContact CG2-CD1 3.88Å; I935-I991 HydrophobicContact CG2-CG1 4.16Å; I935-I991 HydrophobicContact CG2-CG2 4.14Å |
| 936 | A | 90.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.6 | -34.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A932 L938 L939 A940 E994 | A932-A936 VanDerWaalsContact O-CB 3.22Å; A932-A936 WeakPolarHBondContact O-CB 3.47Å; A932-A936 PolarHBondContact O-N 3.22Å; A936-L938 VanDerWaalsContact C-N 3.34Å; A936-L939 PolarHBondContact O-N 3.29Å; A936-A940 WeakPolarHBondContact O-CB 3.44Å; A936-A940 PolarHBondContact O-N 3.15Å; A936-E994 HydrophobicContact CB-CB 3.43Å; A936-E994 VanDerWaalsContact CB-CB 3.43Å |
| 937 | A | 89.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.9 | -36.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L856 M859 R860 Q933 C934 I935 | L856-A937 HydrophobicContact CD2-CB 4.16Å; M859-A937 HydrophobicContact CB-CB 3.9Å; R860-A937 HydrophobicContact CG-CB 4.14Å; Q933-A937 VanDerWaalsContact O-CB 3.23Å; Q933-A937 WeakPolarHBondContact O-CB 3.32Å; Q933-A937 PolarHBondContact O-N 2.61Å; C934-A937 PolarHBondContact O-N 3.49Å; I935-A937 VanDerWaalsContact C-N 3.29Å; I935-A937 PolarHBondContact O-N 3.1Å |
| 938 | L | 87.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.5 | -51.5 | 171.6 | -71 | 163.5 | 0 | 0 | 0 | 111.6 | M859 F862 L876 F879 L880 L883 C934 I935 A936 A940 E941 | M859-L938 HydrophobicContact CB-CD2 4.22Å; M859-L938 HydrophobicContact CB-CG 4.02Å; M859-L938 HydrophobicContact CG-CG 4.4Å; M859-L938 WeakPolarHBondContact O-CD2 3.27Å; M859-L938 HydrophobicContact SD-CD1 3.7Å; M859-L938 HydrophobicContact SD-CD2 4.02Å; M859-L938 HydrophobicContact SD-CG 3.82Å; F862-L938 HydrophobicContact CB-CD2 4.23Å; F862-L938 HydrophobicContact CD1-CD2 3.79Å; F862-L938 HydrophobicContact CG-CD2 4.43Å; L876-L938 HydrophobicContact CD1-CB 4.29Å; L876-L938 HydrophobicContact CD1-CD2 3.92Å; F879-L938 HydrophobicContact CD1-CD1 3.71Å; F879-L938 HydrophobicContact CE1-CD1 3.76Å; L880-L938 HydrophobicContact CD2-CD1 3.85Å; L883-L938 HydrophobicContact CD1-CD1 3.87Å; C934-L938 PolarHBondContact O-N 3.14Å; C934-L938 VanDerWaalsContact O-N 3.12Å; I935-L938 WeakPolarHBondContact O-CB 3.31Å; I935-L938 PolarHBondContact O-N 3.04Å; A936-L938 VanDerWaalsContact C-N 3.34Å; L938-A940 VanDerWaalsContact C-N 3.3Å; L938-A940 PolarHBondContact O-N 2.88Å; L938-E941 PolarHBondContact O-N 2.83Å |
| 939 | L | 88.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.8 | -32.5 | -174.4 | -67.6 | 173.8 | 0 | 0 | 0 | 112.6 | L880 I935 A936 E941 L942 L961 V967 I991 L995 | L880-L939 HydrophobicContact CD1-CD2 3.83Å; I935-L939 HydrophobicContact CG2-CD1 3.59Å; I935-L939 HydrophobicContact CG2-CG 4.14Å; I935-L939 VanDerWaalsContact O-CG 3.29Å; I935-L939 WeakPolarHBondContact O-CG 3.46Å; I935-L939 PolarHBondContact O-N 3.34Å; A936-L939 PolarHBondContact O-N 3.29Å; L939-E941 PolarHBondContact O-N 2.93Å; L939-L942 HydrophobicContact CD2-CD1 3.96Å; L939-L942 VanDerWaalsContact O-CB 3.3Å; L939-L942 WeakPolarHBondContact O-CB 3.49Å; L939-L942 WeakPolarHBondContact O-CG 3.47Å; L939-L942 PolarHBondContact O-N 3.19Å; L939-L942 VanDerWaalsContact O-N 3.1Å; L939-L961 HydrophobicContact CD2-CD2 3.91Å; L939-V967 HydrophobicContact CD1-CG1 3.78Å; L939-V967 HydrophobicContact CD2-CG1 4.13Å; L939-V967 HydrophobicContact CD2-CG2 4.24Å; L939-I991 HydrophobicContact CD1-CG2 4.01Å; L939-L995 HydrophobicContact CB-CD1 4.2Å |
| 940 | A | 88 | Confident | 78 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 8% | 0.083 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A936 L938 L995 K998 V999 | A936-A940 WeakPolarHBondContact O-CB 3.44Å; A936-A940 PolarHBondContact O-N 3.15Å; L938-A940 VanDerWaalsContact C-N 3.3Å; L938-A940 PolarHBondContact O-N 2.88Å; A940-L995 HydrophobicContact CB-CD1 4.14Å; A940-K998 HydrophobicContact CB-CB 4.01Å; A940-K998 HydrophobicContact CB-CD 3.89Å; A940-V999 HydrophobicContact CB-CG2 3.99Å |
| 941 | E | 84.7 | Confident | 75.5 | Confident | 32 Ų | 32 | 45.8 Ų | 45.8 | 15% | 0.15 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -12.4 | 174.5 | -67.1 | -58.4 | 140.2 | 0 | 0 | 113.2 | H864 K867 L938 L939 | H864-E941 IonicContact ND1-OE2 2.69Å; H864-E941 PolarHBondContact ND1-OE2 3.45Å; K867-E941 WeakPolarHBondContact CD-O 3.44Å; K867-E941 WeakPolarHBondContact CE-O 3.44Å; K867-E941 WeakPolarHBondContact CE-OE2 3.39Å; K867-E941 WeakPolarHBondContact CG-O 3.35Å; K867-E941 PolarHBondContact NZ-O 3.06Å; K867-E941 IonicContact NZ-OE2 3.48Å; K867-E941 PolarHBondContact NZ-OE2 3.28Å; L938-E941 PolarHBondContact O-N 2.83Å; L939-E941 PolarHBondContact O-N 2.93Å |
| 942 | L | 83.2 | Confident | 73.2 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 9% | 0.089 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -67.8 | 153.9 | 174.7 | -65.2 | 172.6 | 0 | 0 | 0 | 111.7 | L876 L939 L961 V964 V967 | L876-L942 HydrophobicContact CD2-CD2 4.03Å; L939-L942 HydrophobicContact CD2-CD1 3.96Å; L939-L942 VanDerWaalsContact O-CB 3.3Å; L939-L942 WeakPolarHBondContact O-CB 3.49Å; L939-L942 WeakPolarHBondContact O-CG 3.47Å; L939-L942 PolarHBondContact O-N 3.19Å; L939-L942 VanDerWaalsContact O-N 3.1Å; L942-L961 HydrophobicContact CD1-CB 4.46Å; L942-L961 HydrophobicContact CD1-CD2 4.26Å; L942-V964 HydrophobicContact CB-CG2 3.95Å; L942-V967 HydrophobicContact CD1-CG2 4.25Å |
| 943 | P | 81.1 | Confident | 70.6 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 34% | 0.338 | 37% | 0.368 | S | S | . | . | trans | -65.3 | 148.6 | 173.2 | 29.5 | -35.4 | 0 | 0 | 0 | 111.2 | T945 S962 S963 V964 | P943-T945 VanDerWaalsContact C-N 3.33Å; P943-T945 PolarHBondContact O-N 3.18Å; P943-S962 WeakPolarHBondContact CG-O 3.45Å; P943-S963 CarbonylContact O-C 3.51Å; P943-S963 WeakPolarHBondContact O-CA 3.49Å; P943-S963 WeakPolarHBondContact O-CB 3.49Å; P943-V964 PolarHBondContact O-N 2.89Å | ||
| 944 | M | 81.2 | Confident | 67.9 | Low | 73 Ų | 73 | 64.9 Ų | 64.9 | 36% | 0.36 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -62.4 | -41.1 | 180 | -75.3 | -56.3 | -70.4 | 0 | 0 | 113.2 | V964 N965 V999 D1000 | M944-V964 HydrophobicContact SD-CB 4.16Å; M944-V964 HydrophobicContact SD-CG1 4.48Å; M944-V964 HydrophobicContact SD-CG2 4.26Å; M944-N965 PolarHBondContact O-ND2 2.99Å; M944-V999 HydrophobicContact CE-CG1 3.43Å; M944-V999 VanDerWaalsContact CE-CG1 3.43Å; M944-V999 HydrophobicContact SD-CB 4.49Å; M944-V999 HydrophobicContact SD-CG1 3.07Å; M944-V999 WeakPolarHBondContact SD-CG1 3.37Å; M944-D1000 WeakPolarHBondContact CE-O 3.32Å |
| 945 | T | 75.8 | Confident | 65.5 | Low | 97 Ų | 97 | 69.6 Ų | 69.6 | 60% | 0.595 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -127.3 | 149 | -179.2 | 51.3 | 0 | 0 | 0 | 0 | 108.5 | P943 S947 | P943-T945 VanDerWaalsContact C-N 3.33Å; P943-T945 PolarHBondContact O-N 3.18Å; T945-S947 PolarHBondContact O-N 3.44Å |
| 946 | S | 67.9 | Low | 63.5 | Low | 67 Ų | 67 | 77.5 Ų | 77.5 | 47% | 0.469 | 46% | 0.462 | S | S | . | . | trans | -66.5 | 128.9 | 178.4 | 55.1 | 0 | 0 | 0 | 0 | 109.7 | N948 | S946-N948 PolarHBondContact O-N 2.91Š| ||
| 947 | S | 51.7 | Low | 61.5 | Low | 96 Ų | 96 | 79 Ų | 79 | 67% | 0.671 | 47% | 0.474 | S | S | * | . | trans | -88.3 | 98.5 | 164.7 | 49.9 | 0 | 0 | 0 | 0 | 107.9 | T945 | T945-S947 PolarHBondContact O-N 3.44Š| ||
| 948 | N | 50.8 | Low | 59.6 | Low | 152 Ų | 152 | 81.3 Ų | 81.3 | 81% | 0.813 | 49% | 0.486 | S | S | * | . | trans | 154.4 | 144.8 | 145.2 | -77.3 | -27 | 0 | 0 | 0 | 114.8 | S946 | S946-N948 PolarHBondContact O-N 2.91Š| ||
| 949 | S | 37.6 | Very low | 58.2 | Low | 104 Ų | 104 | 85.3 Ų | 85.3 | 73% | 0.727 | 51% | 0.514 | S | S | * | . | trans | -46.9 | 153.4 | 168.2 | -128.3 | 0 | 0 | 0 | 0 | 113.8 | S951 | S949-S951 PolarHBondContact O-N 3.3Š| ||
| 950 | P | 38.2 | Very low | 57.2 | Low | 119 Ų | 119 | 87.1 Ų | 87.1 | 77% | 0.773 | 52% | 0.524 | S | S | * | . | trans | -68.2 | 96 | -173.8 | 29.3 | -33.5 | 0 | 0 | 0 | 111.5 | L952 | P950-L952 PolarHBondContact O-N 3.34Š| ||
| 951 | S | 35.9 | Very low | 56.5 | Low | 112 Ų | 112 | 86.8 Ų | 86.8 | 78% | 0.783 | 52% | 0.52 | S | S | * | . | trans | -80.8 | 104.6 | 162.8 | 52.4 | 0 | 0 | 0 | 0 | 108.9 | S949 L953 | S949-S951 PolarHBondContact O-N 3.3Å; S951-L953 PolarHBondContact O-N 2.91Å | ||
| 952 | L | 42.1 | Very low | 56 | Low | 165 Ų | 165 | 86 Ų | 86 | 86% | 0.864 | 52% | 0.519 | S | S | * | . | trans | -69.6 | 20.1 | -170.2 | -101.7 | 162.2 | 0 | 0 | 0 | 116.8 | P950 | P950-L952 PolarHBondContact O-N 3.34Š| ||
| 953 | L | 35.6 | Very low | 55.9 | Low | 167 Ų | 167 | 85.3 Ų | 85.3 | 87% | 0.874 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -143 | 79.1 | -173.6 | -68.8 | 169.1 | 0 | 0 | 0 | 112.2 | S951 | S951-L953 PolarHBondContact O-N 2.91Š|
| 954 | S | 34.4 | Very low | 56.1 | Low | 96 Ų | 96 | 82.9 Ų | 82.9 | 67% | 0.671 | 50% | 0.499 | S | S | * | . | trans | 166 | 93.9 | 150.3 | 175.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 955 | P | 41.5 | Very low | 56.4 | Low | 100 Ų | 100 | 81.3 Ų | 81.3 | 65% | 0.649 | 49% | 0.492 | S | S | * | . | trans | -84.9 | 133.3 | 168.3 | 31.5 | -24.9 | 0 | 0 | 0 | 109.2 | ||||
| 956 | H | 47.5 | Very low | 56.8 | Low | 166 Ų | 166 | 79 Ų | 79 | 77% | 0.769 | 48% | 0.477 | S | S | * | . | S | Bend | 158.7 | -14 | 126.5 | -79.1 | -60.2 | 0 | 0 | 0 | 117 | |||
| 957 | A | 48.5 | Very low | 57.7 | Low | 31 Ų | 31 | 75.9 Ų | 75.9 | 26% | 0.256 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -143.7 | -37.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S959 L960 | A957-S959 PolarHBondContact O-N 3.36Å; A957-L960 PolarHBondContact O-N 2.86Å |
| 958 | D | 50.1 | Low | 59.5 | Low | 49 Ų | 49 | 71.3 Ų | 71.3 | 26% | 0.262 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.2 | -175.1 | -70.4 | -18.1 | 0 | 0 | 0 | 114.4 | Q874 | Q874-D958 VanDerWaalsContact CG-OD1 3.28Å; Q874-D958 WeakPolarHBondContact CG-OD1 3.44Å; Q874-D958 PolarHBondContact NE2-OD2 3.46Å |
| 959 | S | 58.8 | Low | 61.2 | Low | 85 Ų | 85 | 66.9 Ų | 66.9 | 59% | 0.594 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -30.1 | 179 | -172.4 | 0 | 0 | 0 | 0 | 113.5 | A957 S962 N966 | A957-S959 PolarHBondContact O-N 3.36Å; S959-S962 VanDerWaalsContact O-CB 3.28Å; S959-S962 WeakPolarHBondContact O-CB 3.11Å; S959-S962 PolarHBondContact O-N 2.88Å; S959-S962 PolarHBondContact O-OG 3.4Å; S959-N966 PolarHBondContact O-ND2 3.42Å |
| 960 | L | 65.8 | Low | 63.5 | Low | 39 Ų | 39 | 65 Ų | 65 | 20% | 0.204 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -73.1 | -45.8 | -171.1 | -67.1 | 176.6 | 0 | 0 | 0 | 112.5 | A957 S962 Q970 | A957-L960 PolarHBondContact O-N 2.86Å; L960-S962 PolarHBondContact O-N 3.49Å; L960-Q970 HydrophobicContact CD2-CG 4Å |
| 961 | L | 73.7 | Confident | 65.9 | Low | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -86.1 | 24.9 | 175.3 | -63.9 | 178.9 | 0 | 0 | 0 | 112.7 | L876 T877 L880 F899 L939 L942 S963 V967 | L876-L961 HydrophobicContact CD2-CD1 4.37Å; L876-L961 HydrophobicContact CG-CD1 4.33Å; T877-L961 HydrophobicContact CG2-CD1 4.48Å; T877-L961 WeakPolarHBondContact OG1-CD1 3.29Å; L880-L961 HydrophobicContact CD1-CD1 3.83Å; L880-L961 HydrophobicContact CD1-CD2 3.87Å; F899-L961 HydrophobicContact CD1-CD2 3.8Å; F899-L961 HydrophobicContact CD1-CG 4.48Å; F899-L961 HydrophobicContact CE1-CD2 3.91Å; L939-L961 HydrophobicContact CD2-CD2 3.91Å; L942-L961 HydrophobicContact CD1-CB 4.46Å; L942-L961 HydrophobicContact CD1-CD2 4.26Å; L961-S963 VanDerWaalsContact C-N 3.34Å; L961-V967 HydrophobicContact CD2-CG2 3.83Å |
| 962 | S | 74 | Confident | 68.4 | Low | 16 Ų | 16 | 54.2 Ų | 54.2 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -74.3 | -25.7 | -179.3 | 83.8 | 0 | 0 | 0 | 0 | 113.5 | P943 S959 L960 N966 | P943-S962 WeakPolarHBondContact CG-O 3.45Å; S959-S962 VanDerWaalsContact O-CB 3.28Å; S959-S962 WeakPolarHBondContact O-CB 3.11Å; S959-S962 PolarHBondContact O-N 2.88Å; S959-S962 PolarHBondContact O-OG 3.4Å; L960-S962 PolarHBondContact O-N 3.49Å; S962-N966 PolarHBondContact OG-ND2 3.08Å |
| 963 | S | 81.7 | Confident | 70.5 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | trans | -157.8 | 157.7 | -177.9 | 73.6 | 0 | 0 | 0 | 0 | 111.6 | P943 L961 N965 N966 V967 | P943-S963 CarbonylContact O-C 3.51Å; P943-S963 WeakPolarHBondContact O-CA 3.49Å; P943-S963 WeakPolarHBondContact O-CB 3.49Å; L961-S963 VanDerWaalsContact C-N 3.34Å; S963-N965 VanDerWaalsContact C-N 3.28Å; S963-N965 PolarHBondContact O-N 3.49Å; S963-N966 PolarHBondContact O-N 3.41Å; S963-N966 VanDerWaalsContact OG-CG 3.28Å; S963-N966 PolarHBondContact OG-N 2.94Å; S963-N966 VanDerWaalsContact OG-N 3.14Å; S963-N966 PolarHBondContact OG-OD1 3.47Å; S963-V967 PolarHBondContact O-N 2.79Å | ||
| 964 | V | 86.3 | Confident | 72.8 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 173.4 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | L942 P943 M944 N966 V967 V968 L995 V999 | L942-V964 HydrophobicContact CB-CG2 3.95Å; P943-V964 PolarHBondContact O-N 2.89Å; M944-V964 HydrophobicContact SD-CB 4.16Å; M944-V964 HydrophobicContact SD-CG1 4.48Å; M944-V964 HydrophobicContact SD-CG2 4.26Å; V964-N966 PolarHBondContact O-N 2.99Å; V964-V967 PolarHBondContact O-N 3.31Å; V964-V968 HydrophobicContact CG1-CG2 4.38Å; V964-V968 WeakPolarHBondContact O-CG2 3.46Å; V964-V968 PolarHBondContact O-N 3.06Å; V964-L995 HydrophobicContact CG1-CD1 4.02Å; V964-L995 HydrophobicContact CG1-CD2 3.55Å; V964-L995 HydrophobicContact CG1-CG 3.95Å; V964-V999 HydrophobicContact CG1-CG1 4.29Å |
| 965 | N | 85.9 | Confident | 75.2 | Confident | 41 Ų | 41 | 39.7 Ų | 39.7 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 179.8 | -80.2 | -46 | 0 | 0 | 0 | 112.8 | M944 S963 V967 V968 D969 | M944-N965 PolarHBondContact O-ND2 2.99Å; S963-N965 VanDerWaalsContact C-N 3.28Å; S963-N965 PolarHBondContact O-N 3.49Å; N965-V967 VanDerWaalsContact C-N 3.28Å; N965-V967 PolarHBondContact O-N 3.04Å; N965-V968 PolarHBondContact O-N 3.37Å; N965-D969 PolarHBondContact O-N 3.27Å |
| 966 | N | 85.2 | Confident | 77.3 | Confident | 49 Ų | 49 | 40.3 Ų | 40.3 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 176.9 | -72.6 | 9.9 | 0 | 0 | 0 | 111.3 | S959 S962 S963 V964 D969 Q970 | S959-N966 PolarHBondContact O-ND2 3.42Å; S962-N966 PolarHBondContact OG-ND2 3.08Å; S963-N966 PolarHBondContact O-N 3.41Å; S963-N966 VanDerWaalsContact OG-CG 3.28Å; S963-N966 PolarHBondContact OG-N 2.94Å; S963-N966 VanDerWaalsContact OG-N 3.14Å; S963-N966 PolarHBondContact OG-OD1 3.47Å; V964-N966 PolarHBondContact O-N 2.99Å; N966-D969 PolarHBondContact O-N 3.22Å; N966-Q970 WeakPolarHBondContact O-CG 3.47Å; N966-Q970 PolarHBondContact O-N 3.33Å |
| 967 | V | 87 | Confident | 79 | Confident | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 177.2 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | F899 L939 L942 L961 S963 V964 N965 D969 Q970 L971 | F899-V967 HydrophobicContact CE1-CG1 3.93Å; F899-V967 HydrophobicContact CE1-CG2 4.37Å; F899-V967 HydrophobicContact CZ-CG1 4.21Å; L939-V967 HydrophobicContact CD1-CG1 3.78Å; L939-V967 HydrophobicContact CD2-CG1 4.13Å; L939-V967 HydrophobicContact CD2-CG2 4.24Å; L942-V967 HydrophobicContact CD1-CG2 4.25Å; L961-V967 HydrophobicContact CD2-CG2 3.83Å; S963-V967 PolarHBondContact O-N 2.79Å; V964-V967 PolarHBondContact O-N 3.31Å; N965-V967 VanDerWaalsContact C-N 3.28Å; N965-V967 PolarHBondContact O-N 3.04Å; V967-D969 VanDerWaalsContact C-N 3.33Å; V967-D969 PolarHBondContact O-N 3.14Å; V967-Q970 PolarHBondContact O-N 3.22Å; V967-L971 HydrophobicContact CG1-CD1 3.97Å; V967-L971 HydrophobicContact CG1-CG 4.4Å; V967-L971 WeakPolarHBondContact O-CB 3.41Å; V967-L971 WeakPolarHBondContact O-CG 3.17Å; V967-L971 PolarHBondContact O-N 3.17Å |
| 968 | V | 88.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -43.4 | 174.2 | 172.7 | 0 | 0 | 0 | 0 | 111 | V964 N965 Q970 L971 L972 L992 L995 L1001 | V964-V968 HydrophobicContact CG1-CG2 4.38Å; V964-V968 WeakPolarHBondContact O-CG2 3.46Å; V964-V968 PolarHBondContact O-N 3.06Å; N965-V968 PolarHBondContact O-N 3.37Å; V968-Q970 PolarHBondContact O-N 3.14Å; V968-L971 PolarHBondContact O-N 3.38Å; V968-L972 HydrophobicContact CG1-CD1 3.82Å; V968-L972 HydrophobicContact CG1-CG 4.36Å; V968-L972 WeakPolarHBondContact O-CB 3.28Å; V968-L972 VanDerWaalsContact O-CG 3.31Å; V968-L972 WeakPolarHBondContact O-CG 3.13Å; V968-L972 PolarHBondContact O-N 3.39Å; V968-L992 HydrophobicContact CB-CD2 4.44Å; V968-L992 HydrophobicContact CG1-CD2 4.02Å; V968-L992 HydrophobicContact CG2-CD2 4.38Å; V968-L995 HydrophobicContact CG2-CD2 3.6Å; V968-L1001 HydrophobicContact CG2-CD1 4.03Å; V968-L1001 HydrophobicContact CG2-CD2 4.23Å |
| 969 | D | 88.2 | Confident | 81.6 | Confident | 58 Ų | 58 | 40.5 Ų | 40.5 | 31% | 0.31 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61 | -44.3 | 177.6 | -70.6 | -31.2 | 0 | 0 | 0 | 112 | N965 N966 V967 L972 I973 R1004 | N965-D969 PolarHBondContact O-N 3.27Å; N966-D969 PolarHBondContact O-N 3.22Å; V967-D969 VanDerWaalsContact C-N 3.33Å; V967-D969 PolarHBondContact O-N 3.14Å; D969-L972 PolarHBondContact O-N 2.88Å; D969-I973 VanDerWaalsContact O-CG1 3.26Å; D969-I973 WeakPolarHBondContact O-CG1 3.26Å; D969-I973 PolarHBondContact O-N 3.46Å; D969-R1004 IonicContact OD1-CZ 3.09Å; D969-R1004 IonicContact OD1-NH1 3.91Å; D969-R1004 PolarHBondContact OD1-NH1 3.26Å; D969-R1004 IonicContact OD1-NH2 2.87Å; D969-R1004 PolarHBondContact OD1-NH2 3.07Å; D969-R1004 IonicContact OD2-NH1 2.71Å |
| 970 | Q | 85.4 | Confident | 82.6 | Confident | 66 Ų | 66 | 37.7 Ų | 37.7 | 31% | 0.308 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.9 | -42.9 | 177.5 | -67 | -56.4 | -34 | 0 | 0 | 112.6 | L960 N966 V967 V968 L972 I973 S974 | L960-Q970 HydrophobicContact CD2-CG 4Å; N966-Q970 WeakPolarHBondContact O-CG 3.47Å; N966-Q970 PolarHBondContact O-N 3.33Å; V967-Q970 PolarHBondContact O-N 3.22Å; V968-Q970 PolarHBondContact O-N 3.14Å; Q970-L972 VanDerWaalsContact C-N 3.3Å; Q970-L972 PolarHBondContact O-N 3.16Å; Q970-I973 PolarHBondContact O-N 3.26Å; Q970-S974 PolarHBondContact O-N 3.4Å |
| 971 | L | 88.2 | Confident | 83.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 175.4 | -72.4 | 170.9 | 0 | 0 | 0 | 111 | L898 V967 V968 S974 V975 N988 I991 L992 | L898-L971 HydrophobicContact CD1-CD2 4.29Å; L898-L971 HydrophobicContact CD2-CD2 3.81Å; V967-L971 HydrophobicContact CG1-CD1 3.97Å; V967-L971 HydrophobicContact CG1-CG 4.4Å; V967-L971 WeakPolarHBondContact O-CB 3.41Å; V967-L971 WeakPolarHBondContact O-CG 3.17Å; V967-L971 PolarHBondContact O-N 3.17Å; V968-L971 PolarHBondContact O-N 3.38Å; L971-S974 PolarHBondContact O-N 3.16Å; L971-V975 WeakPolarHBondContact O-CB 3.39Å; L971-V975 WeakPolarHBondContact O-CG2 3.37Å; L971-V975 PolarHBondContact O-N 3.04Å; L971-N988 HydrophobicContact CD2-CB 4.12Å; L971-I991 HydrophobicContact CD1-CB 4.38Å; L971-I991 HydrophobicContact CD1-CG2 3.7Å; L971-L992 HydrophobicContact CB-CD1 4.18Å; L971-L992 HydrophobicContact CB-CD2 3.83Å; L971-L992 HydrophobicContact CB-CG 4Å; L971-L992 HydrophobicContact CD1-CD2 4.01Å; L971-L992 HydrophobicContact CD1-CG 4.14Å |
| 972 | L | 87.9 | Confident | 83.7 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -38.3 | 175.7 | -76.7 | 169.5 | 0 | 0 | 0 | 112.9 | V968 D969 Q970 V975 K976 L992 D1006 L1007 L1010 | V968-L972 HydrophobicContact CG1-CD1 3.82Å; V968-L972 HydrophobicContact CG1-CG 4.36Å; V968-L972 WeakPolarHBondContact O-CB 3.28Å; V968-L972 VanDerWaalsContact O-CG 3.31Å; V968-L972 WeakPolarHBondContact O-CG 3.13Å; V968-L972 PolarHBondContact O-N 3.39Å; D969-L972 PolarHBondContact O-N 2.88Å; Q970-L972 VanDerWaalsContact C-N 3.3Å; Q970-L972 PolarHBondContact O-N 3.16Å; L972-V975 PolarHBondContact O-N 3.44Å; L972-K976 WeakPolarHBondContact O-CB 3.34Å; L972-K976 VanDerWaalsContact O-CG 3.3Å; L972-K976 WeakPolarHBondContact O-CG 3.39Å; L972-K976 PolarHBondContact O-N 3.09Å; L972-K976 VanDerWaalsContact O-N 3.08Å; L972-L992 HydrophobicContact CD2-CD1 4.4Å; L972-D1006 WeakPolarHBondContact CD1-OD2 3.39Å; L972-L1007 HydrophobicContact CD2-CB 4.42Å; L972-L1007 HydrophobicContact CD2-CD1 3.91Å; L972-L1010 HydrophobicContact CD2-CD1 3.99Å |
| 973 | I | 86.4 | Confident | 84.1 | Confident | 102 Ų | 102 | 43.3 Ų | 43.3 | 52% | 0.523 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.9 | -48.8 | 173.4 | -69 | 162.8 | 0 | 0 | 0 | 109.6 | D969 Q970 V975 K976 D977 | D969-I973 VanDerWaalsContact O-CG1 3.26Å; D969-I973 WeakPolarHBondContact O-CG1 3.26Å; D969-I973 PolarHBondContact O-N 3.46Å; Q970-I973 PolarHBondContact O-N 3.26Å; I973-V975 VanDerWaalsContact C-N 3.33Å; I973-V975 PolarHBondContact O-N 3.21Å; I973-K976 PolarHBondContact O-N 2.86Å; I973-K976 VanDerWaalsContact O-N 3.16Å; I973-D977 PolarHBondContact O-N 2.99Å |
| 974 | S | 84.2 | Confident | 84.3 | Confident | 19 Ų | 19 | 43.9 Ų | 43.9 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -38.5 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 112.5 | L898 Q970 L971 K976 D977 T980 N988 | L898-S974 WeakPolarHBondContact CD1-OG 3.38Å; Q970-S974 PolarHBondContact O-N 3.4Å; L971-S974 PolarHBondContact O-N 3.16Å; S974-K976 VanDerWaalsContact C-N 3.3Å; S974-K976 PolarHBondContact O-N 3.14Å; S974-D977 PolarHBondContact O-N 3.32Å; S974-T980 WeakPolarHBondContact O-CB 3.42Å; S974-T980 PolarHBondContact O-OG1 2.99Å; S974-N988 PolarHBondContact OG-ND2 3.31Å |
| 975 | V | 85.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.5 | -30.9 | 177.2 | 169.4 | 0 | 0 | 0 | 0 | 112.2 | L971 L972 I973 L985 N988 L989 L992 L1010 | L971-V975 WeakPolarHBondContact O-CB 3.39Å; L971-V975 WeakPolarHBondContact O-CG2 3.37Å; L971-V975 PolarHBondContact O-N 3.04Å; L972-V975 PolarHBondContact O-N 3.44Å; I973-V975 VanDerWaalsContact C-N 3.33Å; I973-V975 PolarHBondContact O-N 3.21Å; V975-L985 HydrophobicContact CB-CD1 4.03Å; V975-L985 HydrophobicContact CG1-CD1 3.81Å; V975-L985 HydrophobicContact CG2-CD1 4.08Å; V975-N988 HydrophobicContact CG2-CB 3.76Å; V975-L989 HydrophobicContact CG1-CD2 3.8Å; V975-L989 HydrophobicContact CG2-CD2 4.05Å; V975-L992 HydrophobicContact CG2-CD1 4.16Å; V975-L1010 HydrophobicContact CG1-CD1 3.93Å; V975-L1010 HydrophobicContact CG1-CD2 3.72Å; V975-L1010 HydrophobicContact CG1-CG 4.4Å |
| 976 | K | 84.6 | Confident | 84.4 | Confident | 113 Ų | 113 | 43.9 Ų | 43.9 | 49% | 0.491 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -84.1 | -14 | 176.8 | -70.5 | 173.7 | -177.5 | 176.1 | 0 | 113.3 | L972 I973 S974 P978 L1010 | L972-K976 WeakPolarHBondContact O-CB 3.34Å; L972-K976 VanDerWaalsContact O-CG 3.3Å; L972-K976 WeakPolarHBondContact O-CG 3.39Å; L972-K976 PolarHBondContact O-N 3.09Å; L972-K976 VanDerWaalsContact O-N 3.08Å; I973-K976 PolarHBondContact O-N 2.86Å; I973-K976 VanDerWaalsContact O-N 3.16Å; S974-K976 VanDerWaalsContact C-N 3.3Å; S974-K976 PolarHBondContact O-N 3.14Å; K976-P978 WeakPolarHBondContact O-CD 3.26Å; K976-L1010 HydrophobicContact CD-CD1 4.49Å; K976-L1010 HydrophobicContact CG-CD1 3.97Å |
| 977 | D | 82.4 | Confident | 84.6 | Confident | 68 Ų | 68 | 41.6 Ų | 41.6 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | trans | -75.6 | 117.3 | 179.5 | -175.2 | -10.3 | 0 | 0 | 0 | 110.5 | I973 S974 S979 T980 | I973-D977 PolarHBondContact O-N 2.99Å; S974-D977 PolarHBondContact O-N 3.32Å; D977-S979 PolarHBondContact O-N 2.95Å; D977-S979 VanDerWaalsContact O-N 3.15Å; D977-S979 WeakPolarHBondContact OD1-CB 3.33Å; D977-S979 PolarHBondContact OD1-N 3.49Å; D977-S979 PolarHBondContact OD1-OG 3.45Å; D977-S979 PolarHBondContact OD2-OG 3.45Å; D977-T980 WeakPolarHBondContact O-CB 3.28Å; D977-T980 PolarHBondContact O-N 3.45Å; D977-T980 PolarHBondContact O-OG1 3.14Å | ||
| 978 | P | 76.6 | Confident | 84.8 | Confident | 128 Ų | 128 | 41.6 Ų | 41.6 | 83% | 0.831 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -12.8 | 179.2 | 28.7 | -36.1 | 0 | 0 | 0 | 113.8 | K976 | K976-P978 WeakPolarHBondContact O-CD 3.26Š|
| 979 | S | 78.2 | Confident | 85 | Confident | 54 Ų | 54 | 41.6 Ų | 41.6 | 38% | 0.378 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -10.4 | 176.9 | 73.4 | 0 | 0 | 0 | 0 | 114 | D977 | D977-S979 PolarHBondContact O-N 2.95Å; D977-S979 VanDerWaalsContact O-N 3.15Å; D977-S979 WeakPolarHBondContact OD1-CB 3.33Å; D977-S979 PolarHBondContact OD1-N 3.49Å; D977-S979 PolarHBondContact OD1-OG 3.45Å; D977-S979 PolarHBondContact OD2-OG 3.45Å |
| 980 | T | 80 | Confident | 85.2 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 16% | 0.16 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -67.4 | 130.4 | -179.5 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | S974 D977 Q984 L985 | S974-T980 WeakPolarHBondContact O-CB 3.42Å; S974-T980 PolarHBondContact O-OG1 2.99Å; D977-T980 WeakPolarHBondContact O-CB 3.28Å; D977-T980 PolarHBondContact O-N 3.45Å; D977-T980 PolarHBondContact O-OG1 3.14Å; T980-Q984 HydrophobicContact CG2-CB 3.86Å; T980-Q984 HydrophobicContact CG2-CG 3.86Å; T980-L985 HydrophobicContact CG2-CB 4.15Å |
| 981 | S | 80.7 | Confident | 85.5 | Confident | 44 Ų | 44 | 35.7 Ų | 35.7 | 31% | 0.308 | 21% | 0.206 | S | C | . | . | trans | -63 | 147.2 | 179.5 | 75.3 | 0 | 0 | 0 | 0 | 111.8 | T983 Q984 L985 | S981-T983 PolarHBondContact O-N 3.5Å; S981-Q984 PolarHBondContact O-N 3.46Å; S981-Q984 VanDerWaalsContact O-N 3.09Å; S981-Q984 VanDerWaalsContact OG-CB 3.24Å; S981-Q984 WeakPolarHBondContact OG-CB 3.43Å; S981-Q984 PolarHBondContact OG-N 3.42Å; S981-L985 WeakPolarHBondContact O-CB 3.5Å; S981-L985 PolarHBondContact O-N 2.75Å | ||
| 982 | P | 80.4 | Confident | 85.7 | Confident | 66 Ų | 66 | 35.7 Ų | 35.7 | 43% | 0.429 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -55.5 | -36.7 | 179.2 | -27.4 | 34.4 | 0 | 0 | 0 | 113.7 | Y986 | P982-Y986 WeakPolarHBondContact O-CB 3.2Å; P982-Y986 PolarHBondContact O-N 3.32Å |
| 983 | T | 83 | Confident | 85.9 | Confident | 66 Ų | 66 | 35.5 Ų | 35.5 | 41% | 0.405 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.2 | -44.1 | 176.8 | -48.2 | 0 | 0 | 0 | 0 | 112.1 | I887 L928 S981 Y986 L987 | I887-T983 HydrophobicContact CG2-CG2 4.26Å; L928-T983 HydrophobicContact CD1-CG2 4.01Å; L928-T983 HydrophobicContact CD2-CG2 4.33Å; S981-T983 PolarHBondContact O-N 3.5Å; T983-Y986 WeakPolarHBondContact O-CB 3.4Å; T983-Y986 PolarHBondContact O-N 3.19Å; T983-L987 PolarHBondContact O-N 3.29Å |
| 984 | Q | 84.9 | Confident | 86.2 | Confident | 13 Ų | 13 | 30.7 Ų | 30.7 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.9 | -41.9 | 176.1 | -175.2 | 66.3 | 33.1 | 0 | 0 | 110.8 | I887 T980 S981 Y986 L987 N988 | I887-Q984 HydrophobicContact CG2-CB 4.24Å; T980-Q984 HydrophobicContact CG2-CB 3.86Å; T980-Q984 HydrophobicContact CG2-CG 3.86Å; S981-Q984 PolarHBondContact O-N 3.46Å; S981-Q984 VanDerWaalsContact O-N 3.09Å; S981-Q984 VanDerWaalsContact OG-CB 3.24Å; S981-Q984 WeakPolarHBondContact OG-CB 3.43Å; S981-Q984 PolarHBondContact OG-N 3.42Å; Q984-Y986 VanDerWaalsContact C-N 3.35Å; Q984-Y986 PolarHBondContact O-N 3.16Å; Q984-L987 PolarHBondContact O-N 3.23Å; Q984-N988 PolarHBondContact NE2-OD1 3.34Å; Q984-N988 WeakPolarHBondContact O-CB 3.23Å; Q984-N988 PolarHBondContact O-N 2.86Å; Q984-N988 PolarHBondContact O-OD1 2.84Å |
| 985 | L | 87.4 | Confident | 86.6 | Confident | 21 Ų | 21 | 29.8 Ų | 29.8 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 175.4 | -173.5 | 65.5 | 0 | 0 | 0 | 110.8 | V975 T980 S981 L987 N988 L989 V1052 | V975-L985 HydrophobicContact CB-CD1 4.03Å; V975-L985 HydrophobicContact CG1-CD1 3.81Å; V975-L985 HydrophobicContact CG2-CD1 4.08Å; T980-L985 HydrophobicContact CG2-CB 4.15Å; S981-L985 WeakPolarHBondContact O-CB 3.5Å; S981-L985 PolarHBondContact O-N 2.75Å; L985-L987 PolarHBondContact O-N 2.87Å; L985-N988 PolarHBondContact O-N 2.74Å; L985-L989 WeakPolarHBondContact O-CG 3.35Å; L985-L989 PolarHBondContact O-N 3.47Å; L985-L989 VanDerWaalsContact O-N 3.12Å; L985-V1052 HydrophobicContact CD2-CG1 4.24Å; L985-V1052 HydrophobicContact CD2-CG2 4.12Å; L985-V1052 HydrophobicContact CG-CG1 4.14Å; L985-V1052 HydrophobicContact CG-CG2 4.42Å |
| 986 | Y | 88.1 | Confident | 86.8 | Confident | 22 Ų | 22 | 29.7 Ų | 29.7 | 9% | 0.086 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.9 | -48.1 | 175.9 | -167.7 | -84.3 | 0 | 0 | 0 | 111.9 | L928 P982 T983 Q984 L990 E1051 V1052 A1055 | L928-Y986 HydrophobicContact CB-CD1 4.2Å; L928-Y986 HydrophobicContact CB-CE1 4.34Å; L928-Y986 HydrophobicContact CD1-CD1 3.63Å; L928-Y986 HydrophobicContact CD1-CE1 4.21Å; L928-Y986 HydrophobicContact CD1-CG 4.35Å; P982-Y986 WeakPolarHBondContact O-CB 3.2Å; P982-Y986 PolarHBondContact O-N 3.32Å; T983-Y986 WeakPolarHBondContact O-CB 3.4Å; T983-Y986 PolarHBondContact O-N 3.19Å; Q984-Y986 VanDerWaalsContact C-N 3.35Å; Q984-Y986 PolarHBondContact O-N 3.16Å; Y986-L990 HydrophobicContact CD1-CD1 3.81Å; Y986-L990 HydrophobicContact CD1-CG 4.45Å; Y986-L990 HydrophobicContact CE1-CD1 3.5Å; Y986-L990 VanDerWaalsContact CE1-CD1 3.5Å; Y986-L990 HydrophobicContact CE1-CG 4.32Å; Y986-L990 WeakPolarHBondContact O-CG 3.39Å; Y986-L990 PolarHBondContact O-N 3.42Å; Y986-E1051 VanDerWaalsContact CD2-O 3.26Å; Y986-E1051 WeakPolarHBondContact CD2-O 3.47Å; Y986-E1051 WeakPolarHBondContact CE2-O 3.48Å; Y986-V1052 HydrophobicContact CD2-CG2 4.49Å; Y986-A1055 HydrophobicContact CD1-CB 4.02Å; Y986-A1055 HydrophobicContact CD2-CB 3.63Å; Y986-A1055 HydrophobicContact CE1-CB 3.99Å; Y986-A1055 HydrophobicContact CE2-CB 3.53Å; Y986-A1055 HydrophobicContact CG-CB 3.84Å |
| 987 | L | 89.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65 | -46.8 | 178.8 | 178.7 | 63.4 | 0 | 0 | 0 | 112.2 | L884 I887 L928 L931 A932 I935 T983 Q984 L985 L989 L990 I991 | L884-L987 HydrophobicContact CD2-CD2 3.72Å; I887-L987 HydrophobicContact CD1-CD2 3.38Å; L928-L987 HydrophobicContact CD2-CB 4.48Å; L931-L987 HydrophobicContact CB-CD1 4.46Å; L931-L987 HydrophobicContact CD2-CD1 4.22Å; L931-L987 HydrophobicContact CD2-CD2 3.94Å; L931-L987 HydrophobicContact CG-CD1 4.34Å; A932-L987 HydrophobicContact CB-CD1 3.88Å; I935-L987 HydrophobicContact CD1-CD2 4.42Å; T983-L987 PolarHBondContact O-N 3.29Å; Q984-L987 PolarHBondContact O-N 3.23Å; L985-L987 PolarHBondContact O-N 2.87Å; L987-L989 VanDerWaalsContact C-N 3.29Å; L987-L989 PolarHBondContact O-N 2.92Å; L987-L990 PolarHBondContact O-N 2.9Å; L987-L990 VanDerWaalsContact O-N 3.08Å; L987-I991 HydrophobicContact CD1-CD1 4.15Å; L987-I991 HydrophobicContact CD1-CG1 4.22Å; L987-I991 HydrophobicContact CD2-CD1 4.3Å; L987-I991 HydrophobicContact CG-CD1 3.78Å; L987-I991 HydrophobicContact CG-CG1 4.3Å; L987-I991 WeakPolarHBondContact O-CG1 3.19Å; L987-I991 PolarHBondContact O-N 3.39Å |
| 988 | N | 90.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.4 | -41.8 | -178.6 | -74.3 | -8.3 | 0 | 0 | 0 | 111.6 | L971 S974 V975 Q984 L985 I991 L992 | L971-N988 HydrophobicContact CD2-CB 4.12Å; S974-N988 PolarHBondContact OG-ND2 3.31Å; V975-N988 HydrophobicContact CG2-CB 3.76Å; Q984-N988 PolarHBondContact NE2-OD1 3.34Å; Q984-N988 WeakPolarHBondContact O-CB 3.23Å; Q984-N988 PolarHBondContact O-N 2.86Å; Q984-N988 PolarHBondContact O-OD1 2.84Å; L985-N988 PolarHBondContact O-N 2.74Å; N988-I991 PolarHBondContact O-N 2.99Å; N988-L992 WeakPolarHBondContact O-CG 3.44Å; N988-L992 PolarHBondContact O-N 3Å |
| 989 | L | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 175.3 | -69.3 | -177.7 | 0 | 0 | 0 | 112.3 | V975 L985 L987 L992 G993 L1010 L1011 V1052 A1055 A1056 S1059 | V975-L989 HydrophobicContact CG1-CD2 3.8Å; V975-L989 HydrophobicContact CG2-CD2 4.05Å; L985-L989 WeakPolarHBondContact O-CG 3.35Å; L985-L989 PolarHBondContact O-N 3.47Å; L985-L989 VanDerWaalsContact O-N 3.12Å; L987-L989 VanDerWaalsContact C-N 3.29Å; L987-L989 PolarHBondContact O-N 2.92Å; L989-L992 PolarHBondContact O-N 3.32Å; L989-G993 PolarHBondContact O-N 3.18Å; L989-L1010 HydrophobicContact CD2-CD2 4Å; L989-L1011 HydrophobicContact CD2-CD2 3.82Å; L989-V1052 HydrophobicContact CD1-CG1 3.19Å; L989-V1052 HydrophobicContact CG-CG1 4.4Å; L989-A1055 HydrophobicContact CB-CB 4.28Å; L989-A1056 HydrophobicContact CD1-CB 4.09Å; L989-S1059 WeakPolarHBondContact O-CB 3.31Å |
| 990 | L | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65 | -40.2 | 176.9 | -69.8 | 178.8 | 0 | 0 | 0 | 112.1 | L928 P929 A932 Y986 L987 G993 E994 A1055 L1058 | L928-L990 HydrophobicContact CB-CD1 4.48Å; P929-L990 HydrophobicContact CB-CD1 4.26Å; P929-L990 HydrophobicContact CG-CD1 4.05Å; A932-L990 HydrophobicContact CB-CB 3.48Å; A932-L990 VanDerWaalsContact CB-CB 3.48Å; A932-L990 HydrophobicContact CB-CD1 4.46Å; Y986-L990 HydrophobicContact CD1-CD1 3.81Å; Y986-L990 HydrophobicContact CD1-CG 4.45Å; Y986-L990 HydrophobicContact CE1-CD1 3.5Å; Y986-L990 VanDerWaalsContact CE1-CD1 3.5Å; Y986-L990 HydrophobicContact CE1-CG 4.32Å; Y986-L990 WeakPolarHBondContact O-CG 3.39Å; Y986-L990 PolarHBondContact O-N 3.42Å; L987-L990 PolarHBondContact O-N 2.9Å; L987-L990 VanDerWaalsContact O-N 3.08Å; L990-G993 PolarHBondContact O-N 3.47Å; L990-E994 WeakPolarHBondContact O-CB 3.19Å; L990-E994 PolarHBondContact O-N 3.3Å; L990-A1055 HydrophobicContact CD1-CB 4.48Å; L990-A1055 HydrophobicContact CD2-CB 3.86Å; L990-A1055 HydrophobicContact CG-CB 3.81Å; L990-L1058 HydrophobicContact CD2-CB 4.14Å; L990-L1058 HydrophobicContact CD2-CD1 4.32Å |
| 991 | I | 93.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 175.6 | -66.1 | 165.4 | 0 | 0 | 0 | 110 | A932 I935 L939 L971 L987 N988 G993 E994 L995 | A932-I991 HydrophobicContact CB-CG1 4.03Å; I935-I991 HydrophobicContact CB-CD1 4.3Å; I935-I991 HydrophobicContact CB-CG1 4.32Å; I935-I991 HydrophobicContact CD1-CD1 3.89Å; I935-I991 HydrophobicContact CG2-CD1 3.88Å; I935-I991 HydrophobicContact CG2-CG1 4.16Å; I935-I991 HydrophobicContact CG2-CG2 4.14Å; L939-I991 HydrophobicContact CD1-CG2 4.01Å; L971-I991 HydrophobicContact CD1-CB 4.38Å; L971-I991 HydrophobicContact CD1-CG2 3.7Å; L987-I991 HydrophobicContact CD1-CD1 4.15Å; L987-I991 HydrophobicContact CD1-CG1 4.22Å; L987-I991 HydrophobicContact CD2-CD1 4.3Å; L987-I991 HydrophobicContact CG-CD1 3.78Å; L987-I991 HydrophobicContact CG-CG1 4.3Å; L987-I991 WeakPolarHBondContact O-CG1 3.19Å; L987-I991 PolarHBondContact O-N 3.39Å; N988-I991 PolarHBondContact O-N 2.99Å; I991-G993 VanDerWaalsContact C-N 3.32Å; I991-G993 PolarHBondContact O-N 3.22Å; I991-E994 PolarHBondContact O-N 2.97Å; I991-L995 VanDerWaalsContact O-CB 3.27Å; I991-L995 WeakPolarHBondContact O-CB 3.3Å; I991-L995 PolarHBondContact O-N 3.43Å |
| 992 | L | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.5 | -44.4 | 177.5 | -76.4 | 166.4 | 0 | 0 | 0 | 111.9 | V968 L971 L972 V975 N988 L989 G996 L1007 | V968-L992 HydrophobicContact CB-CD2 4.44Å; V968-L992 HydrophobicContact CG1-CD2 4.02Å; V968-L992 HydrophobicContact CG2-CD2 4.38Å; L971-L992 HydrophobicContact CB-CD1 4.18Å; L971-L992 HydrophobicContact CB-CD2 3.83Å; L971-L992 HydrophobicContact CB-CG 4Å; L971-L992 HydrophobicContact CD1-CD2 4.01Å; L971-L992 HydrophobicContact CD1-CG 4.14Å; L972-L992 HydrophobicContact CD2-CD1 4.4Å; V975-L992 HydrophobicContact CG2-CD1 4.16Å; N988-L992 WeakPolarHBondContact O-CG 3.44Å; N988-L992 PolarHBondContact O-N 3Å; L989-L992 PolarHBondContact O-N 3.32Å; L992-G996 PolarHBondContact O-N 2.81Å; L992-L1007 HydrophobicContact CB-CD1 4.05Å; L992-L1007 HydrophobicContact CD1-CD1 3.83Å; L992-L1007 HydrophobicContact CD2-CD1 4.13Å; L992-L1007 HydrophobicContact CD2-CD2 4.46Å; L992-L1007 HydrophobicContact CG-CD1 4.23Å |
| 993 | G | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.5 | -46.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L989 L990 I991 L995 G996 R997 S1059 R1062 | L989-G993 PolarHBondContact O-N 3.18Å; L990-G993 PolarHBondContact O-N 3.47Å; I991-G993 VanDerWaalsContact C-N 3.32Å; I991-G993 PolarHBondContact O-N 3.22Å; G993-L995 VanDerWaalsContact C-N 3.31Å; G993-L995 PolarHBondContact O-N 3.13Å; G993-G996 PolarHBondContact O-N 3.18Å; G993-R997 PolarHBondContact O-N 3.01Å; G993-S1059 WeakPolarHBondContact CA-O 3.4Å; G993-R1062 WeakPolarHBondContact O-CB 3.47Å |
| 994 | E | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.8 | -33.8 | 177.3 | -79.9 | -66.4 | 167.8 | 0 | 0 | 112.9 | Q933 A936 L990 I991 R997 K998 R1062 | Q933-E994 HydrophobicContact CG-CG 3.75Å; Q933-E994 VanDerWaalsContact CG-OE1 3.24Å; Q933-E994 WeakPolarHBondContact CG-OE1 3.44Å; A936-E994 HydrophobicContact CB-CB 3.43Å; A936-E994 VanDerWaalsContact CB-CB 3.43Å; L990-E994 WeakPolarHBondContact O-CB 3.19Å; L990-E994 PolarHBondContact O-N 3.3Å; I991-E994 PolarHBondContact O-N 2.97Å; E994-R997 PolarHBondContact O-N 3.1Å; E994-R997 IonicContact OE1-NH1 3.82Å; E994-R997 IonicContact OE2-NH1 3.8Å; E994-K998 WeakPolarHBondContact O-CG 3.44Å; E994-K998 PolarHBondContact O-N 3.27Å; E994-R1062 VanDerWaalsContact OE1-CD 3.29Å; E994-R1062 WeakPolarHBondContact OE1-CD 3.44Å; E994-R1062 IonicContact OE1-CZ 4Å; E994-R1062 IonicContact OE1-NE 4Å; E994-R1062 PolarHBondContact OE1-NE 3.35Å; E994-R1062 VanDerWaalsContact OE1-NE 3.1Å; E994-R1062 IonicContact OE1-NH1 3.54Å; E994-R1062 PolarHBondContact OE1-NH1 3.08Å; E994-R1062 IonicContact OE1-NH2 2.67Å; E994-R1062 PolarHBondContact OE1-NH2 2.84Å |
| 995 | L | 90.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.2 | -46.4 | 173.2 | -169.1 | 62.9 | 0 | 0 | 0 | 110.5 | L939 A940 V964 V968 I991 G993 R997 K998 V999 L1001 | L939-L995 HydrophobicContact CB-CD1 4.2Å; A940-L995 HydrophobicContact CB-CD1 4.14Å; V964-L995 HydrophobicContact CG1-CD1 4.02Å; V964-L995 HydrophobicContact CG1-CD2 3.55Å; V964-L995 HydrophobicContact CG1-CG 3.95Å; V968-L995 HydrophobicContact CG2-CD2 3.6Å; I991-L995 VanDerWaalsContact O-CB 3.27Å; I991-L995 WeakPolarHBondContact O-CB 3.3Å; I991-L995 PolarHBondContact O-N 3.43Å; G993-L995 VanDerWaalsContact C-N 3.31Å; G993-L995 PolarHBondContact O-N 3.13Å; L995-R997 PolarHBondContact O-N 3.06Å; L995-K998 PolarHBondContact O-N 2.93Å; L995-V999 HydrophobicContact CD1-CG2 4.06Å; L995-V999 WeakPolarHBondContact O-CB 3.47Å; L995-V999 PolarHBondContact O-N 3.21Å; L995-L1001 HydrophobicContact CG-CD1 4.42Å |
| 996 | G | 90.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.5 | -25.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | L992 G993 V999 G1066 | L992-G996 PolarHBondContact O-N 2.81Å; G993-G996 PolarHBondContact O-N 3.18Å; G996-V999 CarbonylContact C-O 3.49Å; G996-G1066 WeakPolarHBondContact O-CA 3.44Å |
| 997 | R | 89.9 | Confident | 89.6 | Confident | 48 Ų | 48 | 22.3 Ų | 22.3 | 18% | 0.181 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71.7 | -34.9 | 171.7 | -174 | 178.4 | 175 | -149.7 | -2.8 | 113 | G993 E994 L995 R1062 V1065 N1133 Y1228 | G993-R997 PolarHBondContact O-N 3.01Å; E994-R997 PolarHBondContact O-N 3.1Å; E994-R997 IonicContact OE1-NH1 3.82Å; E994-R997 IonicContact OE2-NH1 3.8Å; L995-R997 PolarHBondContact O-N 3.06Å; R997-R1062 VanDerWaalsContact CA-O 3.27Å; R997-R1062 WeakPolarHBondContact CA-O 3.24Å; R997-R1062 HydrophobicContact CB-CB 4.11Å; R997-R1062 WeakPolarHBondContact CB-O 3.43Å; R997-R1062 PolarHBondContact N-O 3.27Å; R997-V1065 HydrophobicContact CG-CB 4.41Å; R997-V1065 HydrophobicContact CG-CG1 4.01Å; R997-N1133 PolarHBondContact NE-OD1 3.46Å; R997-N1133 PolarHBondContact NH2-OD1 3Å; R997-Y1228 PolarHBondContact NH2-OH 3.32Å |
| 998 | K | 85.6 | Confident | 89.6 | Confident | 50 Ų | 50 | 24.8 Ų | 24.8 | 22% | 0.217 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -92.8 | -21.3 | -175.1 | -67.5 | 174 | -172.1 | -72.1 | 0 | 113.1 | A940 E994 L995 | A940-K998 HydrophobicContact CB-CB 4.01Å; A940-K998 HydrophobicContact CB-CD 3.89Å; E994-K998 WeakPolarHBondContact O-CG 3.44Å; E994-K998 PolarHBondContact O-N 3.27Å; L995-K998 PolarHBondContact O-N 2.93Å |
| 999 | V | 86.8 | Confident | 89.5 | Confident | 14 Ų | 14 | 28.4 Ų | 28.4 | 9% | 0.085 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -137.2 | 141.4 | -168.3 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | A940 M944 V964 L995 G996 L1001 | A940-V999 HydrophobicContact CB-CG2 3.99Å; M944-V999 HydrophobicContact CE-CG1 3.43Å; M944-V999 VanDerWaalsContact CE-CG1 3.43Å; M944-V999 HydrophobicContact SD-CB 4.49Å; M944-V999 HydrophobicContact SD-CG1 3.07Å; M944-V999 WeakPolarHBondContact SD-CG1 3.37Å; V964-V999 HydrophobicContact CG1-CG1 4.29Å; L995-V999 HydrophobicContact CD1-CG2 4.06Å; L995-V999 WeakPolarHBondContact O-CB 3.47Å; L995-V999 PolarHBondContact O-N 3.21Å; G996-V999 CarbonylContact C-O 3.49Å; V999-L1001 HydrophobicContact CG1-CD2 4.44Å; V999-L1001 PolarHBondContact O-N 3.38Å; V999-L1001 VanDerWaalsContact O-N 3.08Å |
| 1000 | D | 86.4 | Confident | 89.4 | Confident | 65 Ų | 65 | 29 Ų | 29 | 35% | 0.348 | 16% | 0.155 | S | C | . | . | trans | -67.9 | 105.8 | 175.9 | -171.5 | -10.6 | 0 | 0 | 0 | 111.5 | M944 S1002 K1067 | M944-D1000 WeakPolarHBondContact CE-O 3.32Å; D1000-S1002 PolarHBondContact OD1-N 3.16Å; D1000-S1002 PolarHBondContact OD1-OG 3.05Å; D1000-S1002 VanDerWaalsContact OD1-OG 3.07Å; D1000-K1067 HydrophobicContact CB-CG 4.37Å; D1000-K1067 WeakPolarHBondContact OD1-CG 3.27Å; D1000-K1067 WeakPolarHBondContact OD2-CE 3.25Å; D1000-K1067 IonicContact OD2-NZ 2.79Å; D1000-K1067 PolarHBondContact OD2-NZ 3.29Å | ||
| 1001 | L | 89 | Confident | 89.4 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | trans | -115.6 | 19.7 | 173.1 | -61.1 | -178.2 | 0 | 0 | 0 | 112 | V968 L995 V999 S1003 R1004 L1007 L1063 | V968-L1001 HydrophobicContact CG2-CD1 4.03Å; V968-L1001 HydrophobicContact CG2-CD2 4.23Å; L995-L1001 HydrophobicContact CG-CD1 4.42Å; V999-L1001 HydrophobicContact CG1-CD2 4.44Å; V999-L1001 PolarHBondContact O-N 3.38Å; V999-L1001 VanDerWaalsContact O-N 3.08Å; L1001-S1003 PolarHBondContact O-N 2.94Å; L1001-S1003 VanDerWaalsContact O-N 3.13Å; L1001-R1004 HydrophobicContact CB-CG 4.46Å; L1001-R1004 WeakPolarHBondContact O-CB 3.42Å; L1001-R1004 PolarHBondContact O-N 2.94Å; L1001-L1007 HydrophobicContact CD1-CD2 4.18Å; L1001-L1063 HydrophobicContact CB-CD1 3.95Å | ||
| 1002 | S | 87 | Confident | 89.1 | Confident | 24 Ų | 24 | 30.6 Ų | 30.6 | 17% | 0.168 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.7 | -174.8 | 69.6 | 0 | 0 | 0 | 0 | 113.6 | D1000 R1004 I1070 | D1000-S1002 PolarHBondContact OD1-N 3.16Å; D1000-S1002 PolarHBondContact OD1-OG 3.05Å; D1000-S1002 VanDerWaalsContact OD1-OG 3.07Å; S1002-R1004 VanDerWaalsContact C-N 3.26Å; S1002-R1004 PolarHBondContact O-N 3.25Å; S1002-I1070 WeakPolarHBondContact OG-CD1 3.41Å |
| 1003 | S | 87.1 | Confident | 88.8 | Confident | 95 Ų | 95 | 33 Ų | 33 | 66% | 0.664 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -15.1 | 173.9 | 62 | 0 | 0 | 0 | 0 | 113.7 | L1001 T1005 | L1001-S1003 PolarHBondContact O-N 2.94Å; L1001-S1003 VanDerWaalsContact O-N 3.13Å; S1003-T1005 PolarHBondContact O-N 3.15Å; S1003-T1005 VanDerWaalsContact O-N 3.14Å |
| 1004 | R | 87.4 | Confident | 88.5 | Confident | 36 Ų | 36 | 33.1 Ų | 33.1 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | trans | -86.4 | 72.5 | -179.9 | -61.9 | -59.7 | -62.2 | -122.9 | 5 | 111 | D969 L1001 S1002 D1006 L1007 R1008 | D969-R1004 IonicContact OD1-CZ 3.09Å; D969-R1004 IonicContact OD1-NH1 3.91Å; D969-R1004 PolarHBondContact OD1-NH1 3.26Å; D969-R1004 IonicContact OD1-NH2 2.87Å; D969-R1004 PolarHBondContact OD1-NH2 3.07Å; D969-R1004 IonicContact OD2-NH1 2.71Å; L1001-R1004 HydrophobicContact CB-CG 4.46Å; L1001-R1004 WeakPolarHBondContact O-CB 3.42Å; L1001-R1004 PolarHBondContact O-N 2.94Å; S1002-R1004 VanDerWaalsContact C-N 3.26Å; S1002-R1004 PolarHBondContact O-N 3.25Å; R1004-D1006 VanDerWaalsContact C-OD1 3.32Å; R1004-D1006 VanDerWaalsContact CA-OD1 3.32Å; R1004-D1006 WeakPolarHBondContact CA-OD1 3.42Å; R1004-D1006 WeakPolarHBondContact CB-OD1 3.31Å; R1004-D1006 IonicContact CZ-OD1 3.79Å; R1004-D1006 IonicContact CZ-OD2 2.7Å; R1004-D1006 IonicContact NE-OD1 2.77Å; R1004-D1006 PolarHBondContact NE-OD1 3.37Å; R1004-D1006 IonicContact NE-OD2 2.72Å; R1004-D1006 PolarHBondContact NE-OD2 3.49Å; R1004-D1006 IonicContact NH2-OD1 3.71Å; R1004-D1006 IonicContact NH2-OD2 3.17Å; R1004-D1006 PolarHBondContact NH2-OD2 2.8Å; R1004-D1006 PolarHBondContact O-N 3.46Å; R1004-L1007 HydrophobicContact CB-CB 3.95Å; R1004-L1007 PolarHBondContact O-N 3.44Å; R1004-R1008 PolarHBondContact O-N 2.92Å | ||
| 1005 | T | 86.7 | Confident | 88.1 | Confident | 74 Ų | 74 | 33.1 Ų | 33.1 | 45% | 0.454 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.5 | -31.8 | 175.3 | 57.5 | 0 | 0 | 0 | 0 | 111.7 | S1003 L1007 R1008 D1009 | S1003-T1005 PolarHBondContact O-N 3.15Å; S1003-T1005 VanDerWaalsContact O-N 3.14Å; T1005-L1007 VanDerWaalsContact C-N 3.33Å; T1005-L1007 PolarHBondContact O-N 3.32Å; T1005-R1008 PolarHBondContact O-N 3.38Å; T1005-D1009 WeakPolarHBondContact O-CB 3.17Å; T1005-D1009 PolarHBondContact O-N 2.99Å |
| 1006 | D | 89 | Confident | 87.5 | Confident | 56 Ų | 56 | 35.6 Ų | 35.6 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.6 | -39.9 | 174.1 | 64.1 | -33.7 | 0 | 0 | 0 | 113.1 | L972 R1004 L1010 | L972-D1006 WeakPolarHBondContact CD1-OD2 3.39Å; R1004-D1006 VanDerWaalsContact C-OD1 3.32Å; R1004-D1006 VanDerWaalsContact CA-OD1 3.32Å; R1004-D1006 WeakPolarHBondContact CA-OD1 3.42Å; R1004-D1006 WeakPolarHBondContact CB-OD1 3.31Å; R1004-D1006 IonicContact CZ-OD1 3.79Å; R1004-D1006 IonicContact CZ-OD2 2.7Å; R1004-D1006 IonicContact NE-OD1 2.77Å; R1004-D1006 PolarHBondContact NE-OD1 3.37Å; R1004-D1006 IonicContact NE-OD2 2.72Å; R1004-D1006 PolarHBondContact NE-OD2 3.49Å; R1004-D1006 IonicContact NH2-OD1 3.71Å; R1004-D1006 IonicContact NH2-OD2 3.17Å; R1004-D1006 PolarHBondContact NH2-OD2 2.8Å; R1004-D1006 PolarHBondContact O-N 3.46Å; D1006-L1010 WeakPolarHBondContact O-CB 3.34Å; D1006-L1010 PolarHBondContact O-N 3.24Å |
| 1007 | L | 90.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.8 | -48.1 | 175 | 173.8 | 60.8 | 0 | 0 | 0 | 111.2 | L972 L992 L1001 R1004 T1005 D1009 L1010 L1011 L1063 | L972-L1007 HydrophobicContact CD2-CB 4.42Å; L972-L1007 HydrophobicContact CD2-CD1 3.91Å; L992-L1007 HydrophobicContact CB-CD1 4.05Å; L992-L1007 HydrophobicContact CD1-CD1 3.83Å; L992-L1007 HydrophobicContact CD2-CD1 4.13Å; L992-L1007 HydrophobicContact CD2-CD2 4.46Å; L992-L1007 HydrophobicContact CG-CD1 4.23Å; L1001-L1007 HydrophobicContact CD1-CD2 4.18Å; R1004-L1007 HydrophobicContact CB-CB 3.95Å; R1004-L1007 PolarHBondContact O-N 3.44Å; T1005-L1007 VanDerWaalsContact C-N 3.33Å; T1005-L1007 PolarHBondContact O-N 3.32Å; L1007-D1009 PolarHBondContact O-N 2.82Å; L1007-L1010 PolarHBondContact O-N 3.3Å; L1007-L1011 HydrophobicContact CD1-CD1 4.21Å; L1007-L1011 HydrophobicContact CD1-CG 4.23Å; L1007-L1011 HydrophobicContact CG-CD1 4.34Å; L1007-L1011 WeakPolarHBondContact O-CG 3.28Å; L1007-L1011 PolarHBondContact O-N 2.98Å; L1007-L1063 HydrophobicContact CD2-CD1 3.98Å; L1007-L1063 HydrophobicContact CD2-CD2 4.08Å; L1007-L1063 HydrophobicContact CG-CD2 4.06Å |
| 1008 | R | 89.7 | Confident | 84.7 | Confident | 53 Ų | 53 | 36.9 Ų | 36.9 | 20% | 0.2 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.9 | -50.2 | 178.4 | -179.4 | -164 | 66.6 | -166.9 | -2.5 | 111.1 | R1004 T1005 L1010 L1011 I1012 L1060 L1063 | R1004-R1008 PolarHBondContact O-N 2.92Å; T1005-R1008 PolarHBondContact O-N 3.38Å; R1008-L1010 VanDerWaalsContact C-N 3.3Å; R1008-L1010 PolarHBondContact O-N 2.93Å; R1008-L1011 PolarHBondContact O-N 3.17Å; R1008-I1012 HydrophobicContact CG-CD1 4Å; R1008-I1012 WeakPolarHBondContact O-CG1 3.27Å; R1008-I1012 PolarHBondContact O-N 3.35Å; R1008-L1060 HydrophobicContact CG-CD1 4.49Å; R1008-L1063 HydrophobicContact CB-CD2 4.44Å |
| 1009 | D | 88.9 | Confident | 82.8 | Confident | 77 Ų | 77 | 39.3 Ų | 39.3 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.2 | -34.7 | -175.9 | -59.7 | -15.6 | 0 | 0 | 0 | 110.6 | T1005 L1007 I1012 S1013 | T1005-D1009 WeakPolarHBondContact O-CB 3.17Å; T1005-D1009 PolarHBondContact O-N 2.99Å; L1007-D1009 PolarHBondContact O-N 2.82Å; D1009-I1012 PolarHBondContact O-N 2.64Å; D1009-S1013 WeakPolarHBondContact O-CB 3.45Å; D1009-S1013 PolarHBondContact O-N 2.9Å |
| 1010 | L | 89.4 | Confident | 80.2 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 7% | 0.068 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.7 | -50.1 | 170.4 | -178.6 | 145.6 | 0 | 0 | 0 | 111.2 | L972 V975 K976 L989 D1006 L1007 R1008 I1012 S1013 C1014 | L972-L1010 HydrophobicContact CD2-CD1 3.99Å; V975-L1010 HydrophobicContact CG1-CD1 3.93Å; V975-L1010 HydrophobicContact CG1-CD2 3.72Å; V975-L1010 HydrophobicContact CG1-CG 4.4Å; K976-L1010 HydrophobicContact CD-CD1 4.49Å; K976-L1010 HydrophobicContact CG-CD1 3.97Å; L989-L1010 HydrophobicContact CD2-CD2 4Å; D1006-L1010 WeakPolarHBondContact O-CB 3.34Å; D1006-L1010 PolarHBondContact O-N 3.24Å; L1007-L1010 PolarHBondContact O-N 3.3Å; R1008-L1010 VanDerWaalsContact C-N 3.3Å; R1008-L1010 PolarHBondContact O-N 2.93Å; L1010-I1012 VanDerWaalsContact C-N 3.35Å; L1010-I1012 PolarHBondContact O-N 3.33Å; L1010-S1013 PolarHBondContact O-N 2.76Å; L1010-S1013 VanDerWaalsContact O-N 3.12Å; L1010-S1013 PolarHBondContact O-OG 2.89Å; L1010-C1014 PolarHBondContact O-N 2.66Å; L1010-C1014 PolarHBondContact O-SG 3.21Å |
| 1011 | L | 90.8 | Very high | 77.6 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | -179.5 | -68.9 | 176.5 | 0 | 0 | 0 | 112 | L989 L1007 R1008 S1013 C1014 L1015 A1056 S1059 L1060 L1063 | L989-L1011 HydrophobicContact CD2-CD2 3.82Å; L1007-L1011 HydrophobicContact CD1-CD1 4.21Å; L1007-L1011 HydrophobicContact CD1-CG 4.23Å; L1007-L1011 HydrophobicContact CG-CD1 4.34Å; L1007-L1011 WeakPolarHBondContact O-CG 3.28Å; L1007-L1011 PolarHBondContact O-N 2.98Å; R1008-L1011 PolarHBondContact O-N 3.17Å; L1011-S1013 VanDerWaalsContact C-N 3.34Å; L1011-C1014 PolarHBondContact O-N 2.73Å; L1011-L1015 WeakPolarHBondContact O-CG 3.34Å; L1011-L1015 PolarHBondContact O-N 3.26Å; L1011-A1056 HydrophobicContact CD2-CB 4.48Å; L1011-S1059 WeakPolarHBondContact CD2-OG 3.05Å; L1011-L1060 HydrophobicContact CB-CB 4.24Å; L1011-L1060 HydrophobicContact CB-CD1 4.21Å; L1011-L1060 HydrophobicContact CD1-CB 4.24Å; L1011-L1060 HydrophobicContact CD1-CD1 4.42Å; L1011-L1063 HydrophobicContact CD1-CD2 3.93Å |
| 1012 | I | 87.5 | Confident | 75 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 174.9 | -65.8 | 169.7 | 0 | 0 | 0 | 110.5 | R1008 D1009 L1010 C1014 L1015 S1016 L1060 | R1008-I1012 HydrophobicContact CG-CD1 4Å; R1008-I1012 WeakPolarHBondContact O-CG1 3.27Å; R1008-I1012 PolarHBondContact O-N 3.35Å; D1009-I1012 PolarHBondContact O-N 2.64Å; L1010-I1012 VanDerWaalsContact C-N 3.35Å; L1010-I1012 PolarHBondContact O-N 3.33Å; I1012-C1014 VanDerWaalsContact C-N 3.33Å; I1012-C1014 PolarHBondContact O-N 2.85Å; I1012-L1015 PolarHBondContact O-N 3.08Å; I1012-L1015 VanDerWaalsContact O-N 3.14Å; I1012-S1016 PolarHBondContact O-N 3.03Å; I1012-L1060 HydrophobicContact CG1-CD1 4.32Å; I1012-L1060 HydrophobicContact CG1-CD2 4.03Å |
| 1013 | S | 85.8 | Confident | 72.1 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 36% | 0.357 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 178.2 | 79 | 0 | 0 | 0 | 0 | 112.4 | D1009 L1010 L1011 L1015 S1016 S1017 | D1009-S1013 WeakPolarHBondContact O-CB 3.45Å; D1009-S1013 PolarHBondContact O-N 2.9Å; L1010-S1013 PolarHBondContact O-N 2.76Å; L1010-S1013 VanDerWaalsContact O-N 3.12Å; L1010-S1013 PolarHBondContact O-OG 2.89Å; L1011-S1013 VanDerWaalsContact C-N 3.34Å; S1013-L1015 PolarHBondContact O-N 3.47Å; S1013-S1016 WeakPolarHBondContact CA-OG 3.43Å; S1013-S1016 PolarHBondContact O-N 3.39Å; S1013-S1016 PolarHBondContact O-OG 3.36Å; S1013-S1017 PolarHBondContact O-N 3.18Å |
| 1014 | C | 85.9 | Confident | 69.2 | Low | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.007 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.6 | -29.2 | 176.5 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | L1010 L1011 I1012 S1017 V1048 A1056 | L1010-C1014 PolarHBondContact O-N 2.66Å; L1010-C1014 PolarHBondContact O-SG 3.21Å; L1011-C1014 PolarHBondContact O-N 2.73Å; I1012-C1014 VanDerWaalsContact C-N 3.33Å; I1012-C1014 PolarHBondContact O-N 2.85Å; C1014-S1017 PolarHBondContact O-OG 3.01Å; C1014-V1048 HydrophobicContact CB-CG1 4.47Å; C1014-V1048 HydrophobicContact CB-CG2 4.24Å; C1014-A1056 HydrophobicContact CB-CB 3.87Å |
| 1015 | L | 85.8 | Confident | 66.3 | Low | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -78 | -25.9 | 176.7 | -60.6 | -177.5 | 0 | 0 | 0 | 112.4 | L1011 I1012 S1013 K1053 A1056 A1057 L1060 Y1122 L1123 | L1011-L1015 WeakPolarHBondContact O-CG 3.34Å; L1011-L1015 PolarHBondContact O-N 3.26Å; I1012-L1015 PolarHBondContact O-N 3.08Å; I1012-L1015 VanDerWaalsContact O-N 3.14Å; S1013-L1015 PolarHBondContact O-N 3.47Å; L1015-K1053 HydrophobicContact CD2-CB 4.31Å; L1015-K1053 WeakPolarHBondContact CD2-O 3.41Å; L1015-A1056 HydrophobicContact CD2-CB 3.72Å; L1015-A1056 HydrophobicContact CG-CB 4.35Å; L1015-A1057 HydrophobicContact CD2-CB 4.18Å; L1015-L1060 HydrophobicContact CD1-CD2 3.94Å; L1015-Y1122 HydrophobicContact CD2-CG 4.24Å; L1015-L1123 HydrophobicContact CD1-CD2 3.74Å; L1015-L1123 HydrophobicContact CD1-CG 4.26Å |
| 1016 | S | 78.1 | Confident | 63.4 | Low | 51 Ų | 51 | 76.4 Ų | 76.4 | 36% | 0.357 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -90.2 | -18.6 | -176.9 | 69.3 | 0 | 0 | 0 | 0 | 115.2 | I1012 S1013 | I1012-S1016 PolarHBondContact O-N 3.03Å; S1013-S1016 WeakPolarHBondContact CA-OG 3.43Å; S1013-S1016 PolarHBondContact O-N 3.39Å; S1013-S1016 PolarHBondContact O-OG 3.36Å |
| 1017 | S | 64.6 | Low | 60.3 | Low | 19 Ų | 19 | 82.4 Ų | 82.4 | 13% | 0.133 | 42% | 0.417 | C | S | . | . | trans | -68.4 | 144.9 | -171.8 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | S1013 C1014 K1053 | S1013-S1017 PolarHBondContact O-N 3.18Å; C1014-S1017 PolarHBondContact O-OG 3.01Å; S1017-K1053 PolarHBondContact O-NZ 3.47Å | ||
| 1018 | T | 56.1 | Low | 57.3 | Low | 57 Ų | 57 | 88.3 Ų | 88.3 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | trans | -113.4 | 138.7 | 177.1 | 54.6 | 0 | 0 | 0 | 0 | 112 | N1020 M1047 T1115 | T1018-N1020 PolarHBondContact O-N 3.17Å; T1018-N1020 VanDerWaalsContact O-N 3.17Å; T1018-M1047 WeakPolarHBondContact O-CE 3.44Å; T1018-T1115 HydrophobicContact CG2-CG2 3.25Å | ||
| 1019 | N | 46.6 | Very low | 54.2 | Low | 102 Ų | 102 | 91.4 Ų | 91.4 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | trans | -81.1 | 80.3 | 167.7 | -83.8 | -10.6 | 0 | 0 | 0 | 109.4 | ||||
| 1020 | N | 32.7 | Very low | 51.4 | Low | 98 Ų | 98 | 93.3 Ų | 93.3 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | trans | -124.5 | 97.5 | 172.5 | -86.5 | -21.5 | 0 | 0 | 0 | 110.8 | T1018 | T1018-N1020 PolarHBondContact O-N 3.17Å; T1018-N1020 VanDerWaalsContact O-N 3.17Å | ||
| 1021 | S | 30.6 | Very low | 48.5 | Very low | 107 Ų | 107 | 101 Ų | 101 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | trans | -160.2 | 115.2 | 137.5 | -158.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1022 | P | 34.1 | Very low | 45.4 | Very low | 114 Ų | 114 | 107 Ų | 107 | 74% | 0.74 | 57% | 0.568 | S | S | * | * | trans | -76 | 138.2 | 163.7 | 30.4 | -26.8 | 0 | 0 | 0 | 109.3 | H1024 | P1022-H1024 PolarHBondContact O-N 3.36Š| ||
| 1023 | Y | 27.2 | Very low | 42.4 | Very low | 211 Ų | 211 | 110.1 Ų | 110.1 | 83% | 0.827 | 59% | 0.593 | S | S | * | * | trans | -26.3 | 118.3 | 173.2 | -58.8 | -90.8 | 0 | 0 | 0 | 115.5 | ||||
| 1024 | H | 26.1 | Very low | 39.5 | Very low | 173 Ų | 173 | 114.8 Ų | 114.8 | 80% | 0.801 | 62% | 0.62 | S | S | * | * | trans | -139.9 | 99.5 | 144.8 | -136.3 | -47.9 | 0 | 0 | 0 | 109.4 | P1022 Q1026 | P1022-H1024 PolarHBondContact O-N 3.36Å; H1024-Q1026 PolarHBondContact O-N 3.34Å | ||
| 1025 | Y | 25.5 | Very low | 36.5 | Very low | 203 Ų | 203 | 118.3 Ų | 118.3 | 80% | 0.796 | 66% | 0.656 | S | S | * | * | trans | -53.6 | 123.3 | 162.7 | -87.5 | -97.4 | 0 | 0 | 0 | 108.8 | ||||
| 1026 | Q | 25.8 | Very low | 33.6 | Very low | 183 Ų | 183 | 127.2 Ų | 127.2 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | trans | -146.9 | 123.6 | 149 | -106.9 | 170.6 | 14.2 | 0 | 0 | 109 | H1024 | H1024-Q1026 PolarHBondContact O-N 3.34Š| ||
| 1027 | Q | 24.5 | Very low | 30.9 | Very low | 182 Ų | 182 | 129.8 Ų | 129.8 | 85% | 0.85 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -66 | 151.5 | -170.2 | -79.5 | 164.7 | -43.9 | 0 | 0 | 112.8 | ||
| 1028 | P | 27.6 | Very low | 28.9 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 127.3 | -173.1 | 31.7 | -26.8 | 0 | 0 | 0 | 111.8 | ||
| 1029 | T | 24.4 | Very low | 27.3 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 136 | 162.3 | 45.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 1030 | P | 31.6 | Very low | 26.3 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 123.4 | -168.4 | 34.2 | -29.7 | 0 | 0 | 0 | 110.5 | ||
| 1031 | H | 27.7 | Very low | 25.9 | Very low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -124.3 | 128.3 | 166.7 | -71.5 | -59.6 | 0 | 0 | 0 | 111.8 | ||||
| 1032 | T | 25 | Very low | 25.6 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | trans | -58.9 | 132.6 | -177.5 | 37 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1033 | S | 24.4 | Very low | 25.4 | Very low | 100 Ų | 100 | 144.9 Ų | 144.9 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | 5.2 | 122.5 | 140.6 | 55.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1034 | T | 24.7 | Very low | 25.7 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 92% | 0.92 | 81% | 0.805 | S | S | * | * | 173.2 | 138.5 | 123.9 | 30.5 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 1035 | G | 24.4 | Very low | 26.4 | Very low | 74 Ų | 74 | 137.4 Ų | 137.4 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | 127.4 | 80.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S1037 | G1035-S1037 PolarHBondContact O-N 2.81Š| ||
| 1036 | L | 23.3 | Very low | 27.5 | Very low | 188 Ų | 188 | 130.1 Ų | 130.1 | 98% | 0.984 | 77% | 0.774 | S | S | * | * | trans | -61.3 | 112.2 | 163.8 | -71.6 | 151.3 | 0 | 0 | 0 | 109.7 | ||||
| 1037 | S | 21.9 | Very low | 28.6 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -150.3 | 135.5 | 157.2 | 59.5 | 0 | 0 | 0 | 0 | 109.5 | G1035 S1039 | G1035-S1037 PolarHBondContact O-N 2.81Å; S1037-S1039 PolarHBondContact O-N 3.17Å | ||
| 1038 | H | 23.6 | Very low | 30.4 | Very low | 206 Ų | 206 | 118.5 Ų | 118.5 | 95% | 0.954 | 72% | 0.721 | S | S | * | * | trans | -40.1 | 95.4 | -177.9 | -82.7 | -99.8 | 0 | 0 | 0 | 113.4 | ||||
| 1039 | S | 22.3 | Very low | 32.4 | Very low | 103 Ų | 103 | 114.1 Ų | 114.1 | 72% | 0.72 | 69% | 0.694 | S | S | * | * | trans | -97 | 109.1 | 162 | 55.1 | 0 | 0 | 0 | 0 | 108.1 | S1037 I1041 | S1037-S1039 PolarHBondContact O-N 3.17Å; S1039-I1041 PolarHBondContact O-N 2.86Å | ||
| 1040 | T | 24.3 | Very low | 34.7 | Very low | 134 Ų | 134 | 113.1 Ų | 113.1 | 82% | 0.822 | 68% | 0.681 | S | S | * | * | trans | -36 | 120.3 | 153.9 | 36.9 | 0 | 0 | 0 | 0 | 109 | S1042 | T1040-S1042 VanDerWaalsContact C-N 3.29Å; T1040-S1042 PolarHBondContact O-N 3.31Å | ||
| 1041 | I | 24.7 | Very low | 36.8 | Very low | 172 Ų | 172 | 113 Ų | 113 | 88% | 0.882 | 67% | 0.67 | S | S | * | * | trans | -53.3 | 98.1 | 176.6 | -64.7 | 168.3 | 0 | 0 | 0 | 107 | S1039 S1043 | S1039-I1041 PolarHBondContact O-N 2.86Å; I1041-S1043 PolarHBondContact O-N 3.05Å | ||
| 1042 | S | 24.7 | Very low | 39.5 | Very low | 93 Ų | 93 | 104.8 Ų | 104.8 | 65% | 0.65 | 63% | 0.632 | S | S | * | * | trans | -62 | 128.4 | 168.1 | -172.9 | 0 | 0 | 0 | 0 | 106.1 | T1040 N1044 | T1040-S1042 VanDerWaalsContact C-N 3.29Å; T1040-S1042 PolarHBondContact O-N 3.31Å; S1042-N1044 VanDerWaalsContact C-N 3.34Å; S1042-N1044 PolarHBondContact O-N 2.75Å | ||
| 1043 | S | 29.1 | Very low | 42.5 | Very low | 106 Ų | 106 | 99.4 Ų | 99.4 | 74% | 0.741 | 60% | 0.598 | S | S | * | * | trans | -54.5 | 93.4 | 177 | 51.2 | 0 | 0 | 0 | 0 | 110.2 | I1041 G1045 | I1041-S1043 PolarHBondContact O-N 3.05Å; S1043-G1045 PolarHBondContact O-N 2.98Å | ||
| 1044 | N | 34.4 | Very low | 45.5 | Very low | 160 Ų | 160 | 96.1 Ų | 96.1 | 86% | 0.856 | 57% | 0.574 | S | S | * | * | trans | -60 | 102.9 | 162.3 | -85.3 | -8.8 | 0 | 0 | 0 | 106.6 | S1042 L1046 | S1042-N1044 VanDerWaalsContact C-N 3.34Å; S1042-N1044 PolarHBondContact O-N 2.75Å; N1044-L1046 PolarHBondContact O-N 2.83Å; N1044-L1046 VanDerWaalsContact O-N 3.12Å | ||
| 1045 | G | 41.3 | Very low | 48.5 | Very low | 66 Ų | 66 | 89 Ų | 89 | 68% | 0.68 | 53% | 0.531 | S | S | * | . | trans | -60.1 | 114.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | S1043 M1047 | S1043-G1045 PolarHBondContact O-N 2.98Å; G1045-M1047 PolarHBondContact O-N 3.35Å; G1045-M1047 VanDerWaalsContact O-N 3.13Å | ||
| 1046 | L | 48.6 | Very low | 51.7 | Low | 50 Ų | 50 | 85.5 Ų | 85.5 | 26% | 0.262 | 49% | 0.494 | S | S | . | . | trans | -62.1 | 111.5 | 170.6 | -167.2 | 74.6 | 0 | 0 | 0 | 107.6 | N1044 V1048 | N1044-L1046 PolarHBondContact O-N 2.83Å; N1044-L1046 VanDerWaalsContact O-N 3.12Å; L1046-V1048 HydrophobicContact CB-CG2 4.24Å; L1046-V1048 HydrophobicContact CD2-CG2 3.61Å; L1046-V1048 HydrophobicContact CG-CG2 3.81Å; L1046-V1048 PolarHBondContact O-N 3.22Å | ||
| 1047 | M | 49.3 | Very low | 55 | Low | 120 Ų | 120 | 76.5 Ų | 76.5 | 59% | 0.591 | 45% | 0.447 | S | S | * | . | trans | -76 | 92.6 | 173.7 | -65.8 | -153.4 | 94.2 | 0 | 0 | 108.8 | T1018 G1045 | T1018-M1047 WeakPolarHBondContact O-CE 3.44Å; G1045-M1047 PolarHBondContact O-N 3.35Å; G1045-M1047 VanDerWaalsContact O-N 3.13Å | ||
| 1048 | V | 60.8 | Low | 58.2 | Low | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.012 | 42% | 0.419 | C | S | . | . | trans | -88.4 | 127.7 | -179.8 | -173.8 | 0 | 0 | 0 | 0 | 110 | C1014 L1046 V1052 | C1014-V1048 HydrophobicContact CB-CG1 4.47Å; C1014-V1048 HydrophobicContact CB-CG2 4.24Å; L1046-V1048 HydrophobicContact CB-CG2 4.24Å; L1046-V1048 HydrophobicContact CD2-CG2 3.61Å; L1046-V1048 HydrophobicContact CG-CG2 3.81Å; L1046-V1048 PolarHBondContact O-N 3.22Å; V1048-V1052 HydrophobicContact CG1-CB 3.75Å; V1048-V1052 HydrophobicContact CG1-CG1 3.88Å | ||
| 1049 | S | 69.1 | Low | 61.5 | Low | 33 Ų | 33 | 63.1 Ų | 63.1 | 23% | 0.231 | 37% | 0.374 | C | S | . | . | trans | -63 | 146.4 | 176 | 76.9 | 0 | 0 | 0 | 0 | 111.2 | E1051 V1052 | S1049-E1051 PolarHBondContact O-N 3.39Å; S1049-E1051 VanDerWaalsContact O-N 3.07Å; S1049-V1052 PolarHBondContact O-N 3.27Å; S1049-V1052 VanDerWaalsContact O-N 3.07Å; S1049-V1052 WeakPolarHBondContact OG-CG2 3.44Å | ||
| 1050 | E | 73.2 | Confident | 64.9 | Low | 97 Ų | 97 | 58.3 Ų | 58.3 | 45% | 0.453 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -58.4 | -25.5 | -178.7 | -166.5 | 164.3 | -163 | 0 | 0 | 112.9 | V1052 K1053 H1118 | E1050-V1052 PolarHBondContact O-N 2.78Å; E1050-K1053 PolarHBondContact O-N 3.14Å; E1050-H1118 IonicContact OE1-CE1 3.67Å |
| 1051 | E | 77 | Confident | 68.1 | Low | 115 Ų | 115 | 52 Ų | 52 | 54% | 0.537 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -63.5 | -20.8 | 178.1 | -59.3 | -178.8 | 164.7 | 0 | 0 | 114.2 | R925 Y986 S1049 | R925-E1051 PolarHBondContact NH2-O 3.34Å; Y986-E1051 VanDerWaalsContact CD2-O 3.26Å; Y986-E1051 WeakPolarHBondContact CD2-O 3.47Å; Y986-E1051 WeakPolarHBondContact CE2-O 3.48Å; S1049-E1051 PolarHBondContact O-N 3.39Å; S1049-E1051 VanDerWaalsContact O-N 3.07Å |
| 1052 | V | 84.4 | Confident | 71.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -97.3 | -18.8 | -172.5 | 179.7 | 0 | 0 | 0 | 0 | 113.1 | L985 Y986 L989 V1048 S1049 E1050 P1054 A1055 A1056 | L985-V1052 HydrophobicContact CD2-CG1 4.24Å; L985-V1052 HydrophobicContact CD2-CG2 4.12Å; L985-V1052 HydrophobicContact CG-CG1 4.14Å; L985-V1052 HydrophobicContact CG-CG2 4.42Å; Y986-V1052 HydrophobicContact CD2-CG2 4.49Å; L989-V1052 HydrophobicContact CD1-CG1 3.19Å; L989-V1052 HydrophobicContact CG-CG1 4.4Å; V1048-V1052 HydrophobicContact CG1-CB 3.75Å; V1048-V1052 HydrophobicContact CG1-CG1 3.88Å; S1049-V1052 PolarHBondContact O-N 3.27Å; S1049-V1052 VanDerWaalsContact O-N 3.07Å; S1049-V1052 WeakPolarHBondContact OG-CG2 3.44Å; E1050-V1052 PolarHBondContact O-N 2.78Å; V1052-P1054 VanDerWaalsContact C-CD 3.45Å; V1052-A1055 WeakPolarHBondContact O-CB 3.38Å; V1052-A1055 PolarHBondContact O-N 3.04Å; V1052-A1056 PolarHBondContact O-N 3.16Å |
| 1053 | K | 87.3 | Confident | 74.6 | Confident | 12 Ų | 12 | 40.4 Ų | 40.4 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.8 | -40 | 178.2 | -63.3 | -175 | 175.9 | -174.4 | 0 | 114.3 | L1015 S1017 E1050 A1055 A1056 A1057 Y1122 | L1015-K1053 HydrophobicContact CD2-CB 4.31Å; L1015-K1053 WeakPolarHBondContact CD2-O 3.41Å; S1017-K1053 PolarHBondContact O-NZ 3.47Å; E1050-K1053 PolarHBondContact O-N 3.14Å; K1053-A1055 VanDerWaalsContact C-N 3.32Å; K1053-A1055 PolarHBondContact O-N 3.29Å; K1053-A1056 PolarHBondContact O-N 3.22Å; K1053-A1057 WeakPolarHBondContact O-CB 3.5Å; K1053-A1057 PolarHBondContact O-N 3.09Å; K1053-Y1122 HydrophobicContact CB-CD1 4.25Å; K1053-Y1122 HydrophobicContact CB-CD2 3.68Å; K1053-Y1122 HydrophobicContact CB-CE1 4.02Å; K1053-Y1122 HydrophobicContact CB-CE2 3.43Å; K1053-Y1122 VanDerWaalsContact CB-CE2 3.43Å; K1053-Y1122 HydrophobicContact CB-CG 4.11Å; K1053-Y1122 HydrophobicContact CD-CD2 3.96Å; K1053-Y1122 HydrophobicContact CD-CE2 3.67Å; K1053-Y1122 HydrophobicContact CG-CD2 4.41Å; K1053-Y1122 HydrophobicContact CG-CE2 4.17Å |
| 1054 | P | 87.1 | Confident | 77.5 | Confident | 32 Ų | 32 | 35.4 Ų | 35.4 | 21% | 0.208 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.5 | -38.7 | 174.3 | -21.1 | 30.5 | 0 | 0 | 0 | 113.3 | V1052 A1057 L1058 Y1122 | V1052-P1054 VanDerWaalsContact C-CD 3.45Å; P1054-A1057 PolarHBondContact O-N 3.25Å; P1054-L1058 WeakPolarHBondContact O-CG 3.17Å; P1054-L1058 PolarHBondContact O-N 3.43Å; P1054-L1058 VanDerWaalsContact O-N 3.08Å; P1054-Y1122 HydrophobicContact CB-CE1 4.19Å; P1054-Y1122 HydrophobicContact CG-CE1 3.76Å |
| 1055 | A | 88.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68 | -42.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y986 L989 L990 V1052 K1053 A1057 L1058 S1059 | Y986-A1055 HydrophobicContact CD1-CB 4.02Å; Y986-A1055 HydrophobicContact CD2-CB 3.63Å; Y986-A1055 HydrophobicContact CE1-CB 3.99Å; Y986-A1055 HydrophobicContact CE2-CB 3.53Å; Y986-A1055 HydrophobicContact CG-CB 3.84Å; L989-A1055 HydrophobicContact CB-CB 4.28Å; L990-A1055 HydrophobicContact CD1-CB 4.48Å; L990-A1055 HydrophobicContact CD2-CB 3.86Å; L990-A1055 HydrophobicContact CG-CB 3.81Å; V1052-A1055 WeakPolarHBondContact O-CB 3.38Å; V1052-A1055 PolarHBondContact O-N 3.04Å; K1053-A1055 VanDerWaalsContact C-N 3.32Å; K1053-A1055 PolarHBondContact O-N 3.29Å; A1055-A1057 VanDerWaalsContact C-N 3.33Å; A1055-A1057 PolarHBondContact O-N 2.89Å; A1055-L1058 PolarHBondContact O-N 3.46Å; A1055-S1059 VanDerWaalsContact O-CB 3.28Å; A1055-S1059 WeakPolarHBondContact O-CB 3.36Å; A1055-S1059 PolarHBondContact O-N 3.43Å; A1055-S1059 PolarHBondContact O-OG 2.9Å |
| 1056 | A | 91.2 | Very high | 82.2 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L989 L1011 C1014 L1015 V1052 K1053 S1059 L1060 | L989-A1056 HydrophobicContact CD1-CB 4.09Å; L1011-A1056 HydrophobicContact CD2-CB 4.48Å; C1014-A1056 HydrophobicContact CB-CB 3.87Å; L1015-A1056 HydrophobicContact CD2-CB 3.72Å; L1015-A1056 HydrophobicContact CG-CB 4.35Å; V1052-A1056 PolarHBondContact O-N 3.16Å; K1053-A1056 PolarHBondContact O-N 3.22Å; A1056-S1059 WeakPolarHBondContact CA-OG 3.35Å; A1056-S1059 PolarHBondContact O-OG 3.29Å; A1056-L1060 VanDerWaalsContact O-CB 3.24Å; A1056-L1060 WeakPolarHBondContact O-CB 3.23Å; A1056-L1060 PolarHBondContact O-N 3.15Å |
| 1057 | A | 91.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.7 | -49 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1015 K1053 P1054 A1055 S1059 L1060 G1061 Y1122 Q1125 A1126 | L1015-A1057 HydrophobicContact CD2-CB 4.18Å; K1053-A1057 WeakPolarHBondContact O-CB 3.5Å; K1053-A1057 PolarHBondContact O-N 3.09Å; P1054-A1057 PolarHBondContact O-N 3.25Å; A1055-A1057 VanDerWaalsContact C-N 3.33Å; A1055-A1057 PolarHBondContact O-N 2.89Å; A1057-S1059 VanDerWaalsContact C-N 3.34Å; A1057-S1059 PolarHBondContact O-N 3.27Å; A1057-L1060 PolarHBondContact O-N 2.79Å; A1057-G1061 PolarHBondContact O-N 3.4Å; A1057-Y1122 HydrophobicContact CB-CD1 4.01Å; A1057-Y1122 HydrophobicContact CB-CG 4.44Å; A1057-Y1122 WeakPolarHBondContact CB-O 3.38Å; A1057-Q1125 HydrophobicContact CB-CB 4.32Å; A1057-Q1125 HydrophobicContact CB-CG 4.33Å; A1057-A1126 WeakPolarHBondContact O-CA 3.37Å; A1057-A1126 VanDerWaalsContact O-CB 3.27Å; A1057-A1126 WeakPolarHBondContact O-CB 3.42Å |
| 1058 | L | 90.6 | Very high | 86 | Confident | 30 Ų | 30 | 21.9 Ų | 21.9 | 16% | 0.157 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 176.3 | -74.3 | 174.1 | 0 | 0 | 0 | 111.3 | L990 P1054 A1055 G1061 R1062 E1129 | L990-L1058 HydrophobicContact CD2-CB 4.14Å; L990-L1058 HydrophobicContact CD2-CD1 4.32Å; P1054-L1058 WeakPolarHBondContact O-CG 3.17Å; P1054-L1058 PolarHBondContact O-N 3.43Å; P1054-L1058 VanDerWaalsContact O-N 3.08Å; A1055-L1058 PolarHBondContact O-N 3.46Å; L1058-G1061 PolarHBondContact O-N 3.08Å; L1058-R1062 WeakPolarHBondContact O-CB 3.25Å; L1058-R1062 WeakPolarHBondContact O-CG 3.49Å; L1058-R1062 PolarHBondContact O-N 2.95Å; L1058-E1129 HydrophobicContact CD2-CG 4.41Å |
| 1059 | S | 92.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68.4 | -38.2 | -179.4 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | L989 G993 L1011 A1055 A1056 A1057 R1062 L1063 | L989-S1059 WeakPolarHBondContact O-CB 3.31Å; G993-S1059 WeakPolarHBondContact CA-O 3.4Å; L1011-S1059 WeakPolarHBondContact CD2-OG 3.05Å; A1055-S1059 VanDerWaalsContact O-CB 3.28Å; A1055-S1059 WeakPolarHBondContact O-CB 3.36Å; A1055-S1059 PolarHBondContact O-N 3.43Å; A1055-S1059 PolarHBondContact O-OG 2.9Å; A1056-S1059 WeakPolarHBondContact CA-OG 3.35Å; A1056-S1059 PolarHBondContact O-OG 3.29Å; A1057-S1059 VanDerWaalsContact C-N 3.34Å; A1057-S1059 PolarHBondContact O-N 3.27Å; S1059-R1062 PolarHBondContact O-N 3.48Å; S1059-L1063 VanDerWaalsContact O-CB 3.24Å; S1059-L1063 WeakPolarHBondContact O-CB 3.38Å; S1059-L1063 PolarHBondContact O-N 3.11Å |
| 1060 | L | 94.1 | Very high | 88.2 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 173.1 | -179.1 | 60.9 | 0 | 0 | 0 | 111.1 | R1008 L1011 I1012 L1015 A1056 A1057 R1062 L1063 V1064 L1075 L1123 A1126 | R1008-L1060 HydrophobicContact CG-CD1 4.49Å; L1011-L1060 HydrophobicContact CB-CB 4.24Å; L1011-L1060 HydrophobicContact CB-CD1 4.21Å; L1011-L1060 HydrophobicContact CD1-CB 4.24Å; L1011-L1060 HydrophobicContact CD1-CD1 4.42Å; I1012-L1060 HydrophobicContact CG1-CD1 4.32Å; I1012-L1060 HydrophobicContact CG1-CD2 4.03Å; L1015-L1060 HydrophobicContact CD1-CD2 3.94Å; A1056-L1060 VanDerWaalsContact O-CB 3.24Å; A1056-L1060 WeakPolarHBondContact O-CB 3.23Å; A1056-L1060 PolarHBondContact O-N 3.15Å; A1057-L1060 PolarHBondContact O-N 2.79Å; L1060-R1062 PolarHBondContact O-N 3.32Å; L1060-L1063 PolarHBondContact O-N 3.24Å; L1060-V1064 VanDerWaalsContact O-CG2 3.25Å; L1060-V1064 WeakPolarHBondContact O-CG2 3.37Å; L1060-V1064 PolarHBondContact O-N 3.08Å; L1060-L1075 HydrophobicContact CD2-CD1 3.84Å; L1060-L1075 HydrophobicContact CG-CD1 4.32Å; L1060-L1123 HydrophobicContact CD2-CD2 4.27Å; L1060-A1126 HydrophobicContact CB-CB 4.32Å; L1060-A1126 HydrophobicContact CD2-CB 4.26Å; L1060-A1126 HydrophobicContact CG-CB 4.34Å |
| 1061 | G | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1057 L1058 L1063 V1064 V1065 A1126 V1130 | A1057-G1061 PolarHBondContact O-N 3.4Å; L1058-G1061 PolarHBondContact O-N 3.08Å; G1061-L1063 PolarHBondContact O-N 2.68Å; G1061-V1064 WeakPolarHBondContact O-CB 3.44Å; G1061-V1064 PolarHBondContact O-N 3.24Å; G1061-V1065 VanDerWaalsContact O-CG2 3.32Å; G1061-V1065 WeakPolarHBondContact O-CG2 3.45Å; G1061-V1065 PolarHBondContact O-N 3.13Å; G1061-A1126 WeakPolarHBondContact CA-O 3.14Å; G1061-V1130 WeakPolarHBondContact O-CG2 3.36Å |
| 1062 | R | 91.8 | Very high | 89.8 | Confident | 20 Ų | 20 | 19.9 Ų | 19.9 | 8% | 0.075 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.4 | -37.5 | 178.2 | -73 | 172.6 | -177.7 | -178.6 | -6.4 | 113.4 | G993 E994 R997 L1058 S1059 L1060 V1064 V1065 G1066 E1129 | G993-R1062 WeakPolarHBondContact O-CB 3.47Å; E994-R1062 VanDerWaalsContact OE1-CD 3.29Å; E994-R1062 WeakPolarHBondContact OE1-CD 3.44Å; E994-R1062 IonicContact OE1-CZ 4Å; E994-R1062 IonicContact OE1-NE 4Å; E994-R1062 PolarHBondContact OE1-NE 3.35Å; E994-R1062 VanDerWaalsContact OE1-NE 3.1Å; E994-R1062 IonicContact OE1-NH1 3.54Å; E994-R1062 PolarHBondContact OE1-NH1 3.08Å; E994-R1062 IonicContact OE1-NH2 2.67Å; E994-R1062 PolarHBondContact OE1-NH2 2.84Å; R997-R1062 VanDerWaalsContact CA-O 3.27Å; R997-R1062 WeakPolarHBondContact CA-O 3.24Å; R997-R1062 HydrophobicContact CB-CB 4.11Å; R997-R1062 WeakPolarHBondContact CB-O 3.43Å; R997-R1062 PolarHBondContact N-O 3.27Å; L1058-R1062 WeakPolarHBondContact O-CB 3.25Å; L1058-R1062 WeakPolarHBondContact O-CG 3.49Å; L1058-R1062 PolarHBondContact O-N 2.95Å; S1059-R1062 PolarHBondContact O-N 3.48Å; L1060-R1062 PolarHBondContact O-N 3.32Å; R1062-V1064 VanDerWaalsContact C-N 3.35Å; R1062-V1065 WeakPolarHBondContact O-CB 3.49Å; R1062-V1065 PolarHBondContact O-N 3.35Å; R1062-G1066 PolarHBondContact O-N 3.01Å; R1062-E1129 HydrophobicContact CG-CG 3.88Å; R1062-E1129 IonicContact CZ-OE1 3.02Å; R1062-E1129 IonicContact NE-OE1 3.5Å; R1062-E1129 PolarHBondContact NE-OE1 3.12Å; R1062-E1129 IonicContact NH2-OE1 3.71Å |
| 1063 | L | 92.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 172.7 | -179.6 | 66.4 | 0 | 0 | 0 | 110.8 | L1001 L1007 R1008 L1011 S1059 L1060 G1061 V1065 G1066 L1071 | L1001-L1063 HydrophobicContact CB-CD1 3.95Å; L1007-L1063 HydrophobicContact CD2-CD1 3.98Å; L1007-L1063 HydrophobicContact CD2-CD2 4.08Å; L1007-L1063 HydrophobicContact CG-CD2 4.06Å; R1008-L1063 HydrophobicContact CB-CD2 4.44Å; L1011-L1063 HydrophobicContact CD1-CD2 3.93Å; S1059-L1063 VanDerWaalsContact O-CB 3.24Å; S1059-L1063 WeakPolarHBondContact O-CB 3.38Å; S1059-L1063 PolarHBondContact O-N 3.11Å; L1060-L1063 PolarHBondContact O-N 3.24Å; G1061-L1063 PolarHBondContact O-N 2.68Å; L1063-V1065 VanDerWaalsContact C-N 3.33Å; L1063-V1065 PolarHBondContact O-N 3.03Å; L1063-G1066 PolarHBondContact O-N 3.41Å; L1063-L1071 HydrophobicContact CD1-CD1 4.46Å; L1063-L1071 HydrophobicContact CG-CD1 3.99Å; L1063-L1071 WeakPolarHBondContact O-CD1 3.32Å |
| 1064 | V | 90.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63 | -38.9 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | L1060 G1061 R1062 G1066 K1067 P1068 L1071 L1072 L1075 V1130 | L1060-V1064 VanDerWaalsContact O-CG2 3.25Å; L1060-V1064 WeakPolarHBondContact O-CG2 3.37Å; L1060-V1064 PolarHBondContact O-N 3.08Å; G1061-V1064 WeakPolarHBondContact O-CB 3.44Å; G1061-V1064 PolarHBondContact O-N 3.24Å; R1062-V1064 VanDerWaalsContact C-N 3.35Å; V1064-G1066 PolarHBondContact O-N 3.32Å; V1064-K1067 CarbonylContact O-C 3.54Å; V1064-K1067 PolarHBondContact O-N 3.26Å; V1064-P1068 VanDerWaalsContact O-CA 3.25Å; V1064-P1068 WeakPolarHBondContact O-CA 3.3Å; V1064-L1071 HydrophobicContact CB-CB 4.24Å; V1064-L1071 HydrophobicContact CG1-CB 4.32Å; V1064-L1071 HydrophobicContact CG2-CB 3.89Å; V1064-L1072 HydrophobicContact CG1-CB 4.06Å; V1064-L1072 HydrophobicContact CG1-CD1 4.27Å; V1064-L1075 HydrophobicContact CG2-CB 4.42Å; V1064-L1075 HydrophobicContact CG2-CD2 4.21Å; V1064-V1130 HydrophobicContact CB-CG2 3.73Å; V1064-V1130 HydrophobicContact CG1-CG1 4.21Å; V1064-V1130 HydrophobicContact CG1-CG2 3.59Å |
| 1065 | V | 88.1 | Confident | 90.4 | Very high | 20 Ų | 20 | 21.3 Ų | 21.3 | 12% | 0.121 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.1 | -32.9 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 112.5 | R997 G1061 R1062 L1063 V1130 N1133 L1134 | R997-V1065 HydrophobicContact CG-CB 4.41Å; R997-V1065 HydrophobicContact CG-CG1 4.01Å; G1061-V1065 VanDerWaalsContact O-CG2 3.32Å; G1061-V1065 WeakPolarHBondContact O-CG2 3.45Å; G1061-V1065 PolarHBondContact O-N 3.13Å; R1062-V1065 WeakPolarHBondContact O-CB 3.49Å; R1062-V1065 PolarHBondContact O-N 3.35Å; L1063-V1065 VanDerWaalsContact C-N 3.33Å; L1063-V1065 PolarHBondContact O-N 3.03Å; V1065-V1130 HydrophobicContact CG2-CB 4.49Å; V1065-V1130 HydrophobicContact CG2-CG2 4.38Å; V1065-N1133 HydrophobicContact CB-CB 4.33Å; V1065-N1133 HydrophobicContact CG1-CB 3.7Å; V1065-N1133 HydrophobicContact CG2-CB 3.57Å; V1065-L1134 HydrophobicContact CG1-CD2 4.18Å; V1065-L1134 HydrophobicContact CG2-CG 4.37Å |
| 1066 | G | 86 | Confident | 90.5 | Very high | 21 Ų | 21 | 21.9 Ų | 21.9 | 22% | 0.216 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | G996 R1062 L1063 V1064 | G996-G1066 WeakPolarHBondContact O-CA 3.44Å; R1062-G1066 PolarHBondContact O-N 3.01Å; L1063-G1066 PolarHBondContact O-N 3.41Å; V1064-G1066 PolarHBondContact O-N 3.32Å |
| 1067 | K | 89.2 | Confident | 90.5 | Very high | 67 Ų | 67 | 27.6 Ų | 27.6 | 29% | 0.291 | 14% | 0.144 | S | C | . | . | trans | -142.9 | 72.4 | 179.3 | -72.4 | -71.2 | 158.1 | 138 | 0 | 111.8 | D1000 V1064 E1069 I1070 L1071 | D1000-K1067 HydrophobicContact CB-CG 4.37Å; D1000-K1067 WeakPolarHBondContact OD1-CG 3.27Å; D1000-K1067 WeakPolarHBondContact OD2-CE 3.25Å; D1000-K1067 IonicContact OD2-NZ 2.79Å; D1000-K1067 PolarHBondContact OD2-NZ 3.29Å; V1064-K1067 CarbonylContact O-C 3.54Å; V1064-K1067 PolarHBondContact O-N 3.26Å; K1067-E1069 PolarHBondContact O-N 3.05Å; K1067-I1070 PolarHBondContact O-N 2.89Å; K1067-L1071 HydrophobicContact CB-CD1 4.22Å; K1067-L1071 WeakPolarHBondContact O-CB 3.42Å; K1067-L1071 PolarHBondContact O-N 2.86Å | ||
| 1068 | P | 88.5 | Confident | 90.5 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.8 | -21.3 | -173.4 | 27.7 | -34.2 | 0 | 0 | 0 | 112.9 | V1064 I1070 L1072 L1134 N1140 S1142 | V1064-P1068 VanDerWaalsContact O-CA 3.25Å; V1064-P1068 WeakPolarHBondContact O-CA 3.3Å; P1068-I1070 VanDerWaalsContact C-N 3.27Å; P1068-I1070 PolarHBondContact O-N 2.91Å; P1068-L1072 WeakPolarHBondContact O-CB 3.4Å; P1068-L1072 PolarHBondContact O-N 3.29Å; P1068-L1134 HydrophobicContact CB-CD1 3.58Å; P1068-L1134 HydrophobicContact CG-CD1 3.92Å; P1068-N1140 WeakPolarHBondContact CG-ND2 3.15Å; P1068-S1142 PolarHBondContact O-OG 3.08Å |
| 1069 | E | 88.3 | Confident | 90.5 | Very high | 106 Ų | 106 | 27.1 Ų | 27.1 | 50% | 0.495 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -65.9 | -32.2 | 178.3 | -56.1 | 75.2 | -159.1 | 0 | 0 | 111.9 | K1067 | K1067-E1069 PolarHBondContact O-N 3.05Å |
| 1070 | I | 88.3 | Confident | 90.4 | Very high | 90 Ų | 90 | 29 Ų | 29 | 46% | 0.462 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -101.7 | -38.7 | -175 | -60.6 | 169.8 | 0 | 0 | 0 | 111.2 | S1002 K1067 P1068 P1074 | S1002-I1070 WeakPolarHBondContact OG-CD1 3.41Å; K1067-I1070 PolarHBondContact O-N 2.89Å; P1068-I1070 VanDerWaalsContact C-N 3.27Å; P1068-I1070 PolarHBondContact O-N 2.91Å; I1070-P1074 WeakPolarHBondContact O-CD 3.43Å |
| 1071 | L | 90.6 | Very high | 90.1 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -98.8 | -18.7 | -167 | -63.6 | 172.8 | 0 | 0 | 0 | 114.3 | L1063 V1064 K1067 P1074 | L1063-L1071 HydrophobicContact CD1-CD1 4.46Å; L1063-L1071 HydrophobicContact CG-CD1 3.99Å; L1063-L1071 WeakPolarHBondContact O-CD1 3.32Å; V1064-L1071 HydrophobicContact CB-CB 4.24Å; V1064-L1071 HydrophobicContact CG1-CB 4.32Å; V1064-L1071 HydrophobicContact CG2-CB 3.89Å; K1067-L1071 HydrophobicContact CB-CD1 4.22Å; K1067-L1071 WeakPolarHBondContact O-CB 3.42Å; K1067-L1071 PolarHBondContact O-N 2.86Å; L1071-P1074 WeakPolarHBondContact O-CD 3.33Å |
| 1072 | L | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.3 | -44.3 | 176.5 | -178 | 61.1 | 0 | 0 | 0 | 113.2 | V1064 P1068 L1075 I1076 L1127 V1130 L1143 H1146 M1150 | V1064-L1072 HydrophobicContact CG1-CB 4.06Å; V1064-L1072 HydrophobicContact CG1-CD1 4.27Å; P1068-L1072 WeakPolarHBondContact O-CB 3.4Å; P1068-L1072 PolarHBondContact O-N 3.29Å; L1072-L1075 WeakPolarHBondContact O-CB 3.38Å; L1072-L1075 PolarHBondContact O-N 3.2Å; L1072-L1075 VanDerWaalsContact O-N 3.13Å; L1072-I1076 HydrophobicContact CD1-CD1 4.09Å; L1072-I1076 HydrophobicContact CD1-CG1 4.12Å; L1072-I1076 HydrophobicContact CD2-CD1 4.38Å; L1072-I1076 HydrophobicContact CG-CD1 3.81Å; L1072-I1076 HydrophobicContact CG-CG1 4.29Å; L1072-I1076 WeakPolarHBondContact O-CG1 3.5Å; L1072-I1076 PolarHBondContact O-N 3.13Å; L1072-L1127 HydrophobicContact CD1-CD1 4.39Å; L1072-V1130 HydrophobicContact CD1-CG1 4.26Å; L1072-L1143 HydrophobicContact CD2-CD2 3.99Å; L1072-H1146 HydrophobicContact CD2-CB 4.4Å; L1072-M1150 HydrophobicContact CD1-SD 4.44Å; L1072-M1150 HydrophobicContact CD2-SD 4.38Å |
| 1073 | P | 91.4 | Very high | 89.7 | Confident | 44 Ų | 44 | 33.2 Ų | 33.2 | 29% | 0.286 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59 | -45.8 | -179.4 | -17.1 | 27 | 0 | 0 | 0 | 113.7 | L1075 I1076 E1077 | P1073-L1075 VanDerWaalsContact C-N 3.28Å; P1073-L1075 PolarHBondContact O-N 3.27Å; P1073-I1076 PolarHBondContact O-N 2.99Å; P1073-E1077 PolarHBondContact O-N 3.01Å |
| 1074 | P | 89.6 | Confident | 89.3 | Confident | 28 Ų | 28 | 39.1 Ų | 39.1 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.2 | -34.5 | 174 | -25.4 | 33.8 | 0 | 0 | 0 | 114.3 | I1070 L1071 S1078 | I1070-P1074 WeakPolarHBondContact O-CD 3.43Å; L1071-P1074 WeakPolarHBondContact O-CD 3.33Å; P1074-S1078 WeakPolarHBondContact O-CB 3.09Å; P1074-S1078 PolarHBondContact O-N 2.66Å; P1074-S1078 PolarHBondContact O-OG 3.3Å |
| 1075 | L | 91.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67 | -46.6 | 176 | 177.4 | 64.8 | 0 | 0 | 0 | 110.9 | L1060 V1064 L1072 P1073 E1077 S1078 I1079 L1123 A1126 V1130 | L1060-L1075 HydrophobicContact CD2-CD1 3.84Å; L1060-L1075 HydrophobicContact CG-CD1 4.32Å; V1064-L1075 HydrophobicContact CG2-CB 4.42Å; V1064-L1075 HydrophobicContact CG2-CD2 4.21Å; L1072-L1075 WeakPolarHBondContact O-CB 3.38Å; L1072-L1075 PolarHBondContact O-N 3.2Å; L1072-L1075 VanDerWaalsContact O-N 3.13Å; P1073-L1075 VanDerWaalsContact C-N 3.28Å; P1073-L1075 PolarHBondContact O-N 3.27Å; L1075-E1077 VanDerWaalsContact C-N 3.31Å; L1075-E1077 PolarHBondContact O-N 2.94Å; L1075-S1078 WeakPolarHBondContact O-CB 3.49Å; L1075-S1078 PolarHBondContact O-N 3.01Å; L1075-I1079 HydrophobicContact CD1-CD1 4.33Å; L1075-I1079 HydrophobicContact CG-CD1 4.05Å; L1075-I1079 VanDerWaalsContact O-CG1 3.32Å; L1075-I1079 WeakPolarHBondContact O-CG1 3.44Å; L1075-I1079 PolarHBondContact O-N 3.5Å; L1075-L1123 HydrophobicContact CD1-CD2 4.23Å; L1075-A1126 HydrophobicContact CD1-CB 4.17Å; L1075-V1130 HydrophobicContact CD2-CG2 4.1Å |
| 1076 | I | 91.9 | Very high | 88.4 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.062 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 177.5 | -65.6 | 171.5 | 0 | 0 | 0 | 110.6 | L1072 P1073 S1078 I1079 S1080 H1146 M1150 | L1072-I1076 HydrophobicContact CD1-CD1 4.09Å; L1072-I1076 HydrophobicContact CD1-CG1 4.12Å; L1072-I1076 HydrophobicContact CD2-CD1 4.38Å; L1072-I1076 HydrophobicContact CG-CD1 3.81Å; L1072-I1076 HydrophobicContact CG-CG1 4.29Å; L1072-I1076 WeakPolarHBondContact O-CG1 3.5Å; L1072-I1076 PolarHBondContact O-N 3.13Å; P1073-I1076 PolarHBondContact O-N 2.99Å; I1076-S1078 PolarHBondContact O-N 3.41Å; I1076-I1079 PolarHBondContact O-N 3Å; I1076-S1080 WeakPolarHBondContact O-CB 3.29Å; I1076-S1080 PolarHBondContact O-N 2.92Å; I1076-H1146 HydrophobicContact CD1-CB 3.65Å; I1076-M1150 HydrophobicContact CD1-CG 3.55Å; I1076-M1150 HydrophobicContact CD1-SD 4.13Å; I1076-M1150 HydrophobicContact CG1-CG 4.04Å |
| 1077 | E | 90.9 | Very high | 87.8 | Confident | 119 Ų | 119 | 45.5 Ų | 45.5 | 56% | 0.556 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -61 | -44.7 | 176.1 | -173.2 | 177.7 | -178.2 | 0 | 0 | 111.6 | P1073 L1075 I1079 S1080 Q1081 | P1073-E1077 PolarHBondContact O-N 3.01Å; L1075-E1077 VanDerWaalsContact C-N 3.31Å; L1075-E1077 PolarHBondContact O-N 2.94Å; E1077-I1079 VanDerWaalsContact C-N 3.35Å; E1077-I1079 PolarHBondContact O-N 2.67Å; E1077-S1080 WeakPolarHBondContact O-CB 3.34Å; E1077-S1080 PolarHBondContact O-N 3.28Å; E1077-S1080 VanDerWaalsContact O-N 3.16Å; E1077-Q1081 WeakPolarHBondContact O-CG 3.31Å; E1077-Q1081 PolarHBondContact O-N 2.96Å; E1077-Q1081 PolarHBondContact OE1-NE2 3.33Å |
| 1078 | S | 90 | Very high | 87 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 13% | 0.133 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.3 | -41.9 | 177.7 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | P1074 L1075 I1076 Q1081 A1082 | P1074-S1078 WeakPolarHBondContact O-CB 3.09Å; P1074-S1078 PolarHBondContact O-N 2.66Å; P1074-S1078 PolarHBondContact O-OG 3.3Å; L1075-S1078 WeakPolarHBondContact O-CB 3.49Å; L1075-S1078 PolarHBondContact O-N 3.01Å; I1076-S1078 PolarHBondContact O-N 3.41Å; S1078-Q1081 PolarHBondContact O-N 3.16Å; S1078-A1082 PolarHBondContact O-N 3.23Å |
| 1079 | I | 90.9 | Very high | 85.6 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 174.9 | -59.1 | 158.2 | 0 | 0 | 0 | 109.9 | L1075 I1076 E1077 Q1081 A1082 V1083 L1120 L1123 I1124 L1127 L1153 | L1075-I1079 HydrophobicContact CD1-CD1 4.33Å; L1075-I1079 HydrophobicContact CG-CD1 4.05Å; L1075-I1079 VanDerWaalsContact O-CG1 3.32Å; L1075-I1079 WeakPolarHBondContact O-CG1 3.44Å; L1075-I1079 PolarHBondContact O-N 3.5Å; I1076-I1079 PolarHBondContact O-N 3Å; E1077-I1079 VanDerWaalsContact C-N 3.35Å; E1077-I1079 PolarHBondContact O-N 2.67Å; I1079-Q1081 VanDerWaalsContact C-N 3.3Å; I1079-Q1081 PolarHBondContact O-N 3.12Å; I1079-A1082 PolarHBondContact O-N 3.22Å; I1079-A1082 VanDerWaalsContact O-N 3.15Å; I1079-V1083 HydrophobicContact CG2-CG2 4.19Å; I1079-V1083 VanDerWaalsContact O-CG2 3.3Å; I1079-V1083 WeakPolarHBondContact O-CG2 3.35Å; I1079-V1083 PolarHBondContact O-N 3.32Å; I1079-L1120 HydrophobicContact CG2-CD1 3.97Å; I1079-L1123 HydrophobicContact CG1-CB 3.71Å; I1079-I1124 HydrophobicContact CG2-CG1 4.4Å; I1079-L1127 HydrophobicContact CD1-CB 3.93Å; I1079-L1127 HydrophobicContact CD1-CD2 4.01Å; I1079-L1127 HydrophobicContact CD1-CG 4.45Å; I1079-L1153 HydrophobicContact CB-CD1 3.94Å; I1079-L1153 HydrophobicContact CB-CD2 4.18Å; I1079-L1153 HydrophobicContact CG2-CD1 3.81Å; I1079-L1153 HydrophobicContact CG2-CD2 3.3Å; I1079-L1153 HydrophobicContact CG2-CG 4.04Å |
| 1080 | S | 90.4 | Very high | 84.2 | Confident | 39 Ų | 39 | 50 Ų | 50 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 179.2 | -173.3 | 0 | 0 | 0 | 0 | 112 | I1076 E1077 V1083 K1084 | I1076-S1080 WeakPolarHBondContact O-CB 3.29Å; I1076-S1080 PolarHBondContact O-N 2.92Å; E1077-S1080 WeakPolarHBondContact O-CB 3.34Å; E1077-S1080 PolarHBondContact O-N 3.28Å; E1077-S1080 VanDerWaalsContact O-N 3.16Å; S1080-V1083 PolarHBondContact O-N 3.23Å; S1080-K1084 WeakPolarHBondContact O-CG 3.39Å; S1080-K1084 PolarHBondContact O-N 3.2Å |
| 1081 | Q | 88.8 | Confident | 82.4 | Confident | 97 Ų | 97 | 52 Ų | 52 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 175.6 | -69 | 177 | 9.1 | 0 | 0 | 111.8 | E1077 S1078 I1079 V1083 K1084 Q1085 | E1077-Q1081 WeakPolarHBondContact O-CG 3.31Å; E1077-Q1081 PolarHBondContact O-N 2.96Å; E1077-Q1081 PolarHBondContact OE1-NE2 3.33Å; S1078-Q1081 PolarHBondContact O-N 3.16Å; I1079-Q1081 VanDerWaalsContact C-N 3.3Å; I1079-Q1081 PolarHBondContact O-N 3.12Å; Q1081-V1083 PolarHBondContact O-N 3.28Å; Q1081-K1084 PolarHBondContact O-N 3.15Å; Q1081-Q1085 WeakPolarHBondContact O-CG 3.45Å; Q1081-Q1085 PolarHBondContact O-N 3.14Å |
| 1082 | A | 87.5 | Confident | 80.1 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1078 I1079 Q1085 H1086 L1120 L1123 | S1078-A1082 PolarHBondContact O-N 3.23Å; I1079-A1082 PolarHBondContact O-N 3.22Å; I1079-A1082 VanDerWaalsContact O-N 3.15Å; A1082-Q1085 PolarHBondContact O-N 2.91Å; A1082-H1086 WeakPolarHBondContact O-CB 3.43Å; A1082-H1086 PolarHBondContact O-N 3.34Å; A1082-L1120 HydrophobicContact CB-CB 4.39Å; A1082-L1120 HydrophobicContact CB-CD1 4.17Å; A1082-L1123 HydrophobicContact CB-CD1 3.78Å |
| 1083 | V | 86.3 | Confident | 77.5 | Confident | 13 Ų | 13 | 61 Ų | 61 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62 | -46.4 | 174.7 | 174.2 | 0 | 0 | 0 | 0 | 111 | I1079 S1080 Q1081 Q1085 H1086 M1087 L1120 C1157 | I1079-V1083 HydrophobicContact CG2-CG2 4.19Å; I1079-V1083 VanDerWaalsContact O-CG2 3.3Å; I1079-V1083 WeakPolarHBondContact O-CG2 3.35Å; I1079-V1083 PolarHBondContact O-N 3.32Å; S1080-V1083 PolarHBondContact O-N 3.23Å; Q1081-V1083 PolarHBondContact O-N 3.28Å; V1083-Q1085 VanDerWaalsContact C-N 3.33Å; V1083-Q1085 PolarHBondContact O-N 2.82Å; V1083-H1086 PolarHBondContact O-N 3.27Å; V1083-M1087 HydrophobicContact CG1-CE 3.84Å; V1083-M1087 HydrophobicContact CG1-CG 4.32Å; V1083-M1087 HydrophobicContact CG1-SD 4.07Å; V1083-M1087 WeakPolarHBondContact O-CG 3.3Å; V1083-M1087 PolarHBondContact O-N 3Å; V1083-L1120 HydrophobicContact CG2-CD1 3.53Å; V1083-L1120 HydrophobicContact CG2-CD2 4.24Å; V1083-C1157 WeakPolarHBondContact CG2-SG 3.31Å |
| 1084 | K | 85 | Confident | 74.6 | Confident | 127 Ų | 127 | 62.4 Ų | 62.4 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.8 | -42.7 | 177.9 | -74.3 | 171.9 | -176.6 | 174.2 | 0 | 112.1 | S1080 Q1081 Q1088 | S1080-K1084 WeakPolarHBondContact O-CG 3.39Å; S1080-K1084 PolarHBondContact O-N 3.2Å; Q1081-K1084 PolarHBondContact O-N 3.15Å; K1084-Q1088 WeakPolarHBondContact O-CB 3.47Å; K1084-Q1088 VanDerWaalsContact O-CG 3.27Å; K1084-Q1088 WeakPolarHBondContact O-CG 3.35Å; K1084-Q1088 PolarHBondContact O-N 3.25Å |
| 1085 | Q | 82 | Confident | 71.7 | Confident | 91 Ų | 91 | 65.8 Ų | 65.8 | 43% | 0.425 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 176.9 | -71.3 | 174.4 | 5.2 | 0 | 0 | 111.6 | Q1081 A1082 V1083 Q1088 L1089 | Q1081-Q1085 WeakPolarHBondContact O-CG 3.45Å; Q1081-Q1085 PolarHBondContact O-N 3.14Å; A1082-Q1085 PolarHBondContact O-N 2.91Å; V1083-Q1085 VanDerWaalsContact C-N 3.33Å; V1083-Q1085 PolarHBondContact O-N 2.82Å; Q1085-Q1088 PolarHBondContact O-N 3.45Å; Q1085-L1089 WeakPolarHBondContact O-CD1 3.29Å; Q1085-L1089 WeakPolarHBondContact O-CG 3.18Å; Q1085-L1089 PolarHBondContact O-N 3.42Å |
| 1086 | H | 77 | Confident | 68.7 | Low | 10 Ų | 10 | 74.1 Ų | 74.1 | 5% | 0.046 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 177.5 | -173.7 | -79.3 | 0 | 0 | 0 | 112 | A1082 V1083 Q1088 L1089 T1090 Q1117 L1120 | A1082-H1086 WeakPolarHBondContact O-CB 3.43Å; A1082-H1086 PolarHBondContact O-N 3.34Å; V1083-H1086 PolarHBondContact O-N 3.27Å; H1086-Q1088 VanDerWaalsContact C-N 3.34Å; H1086-Q1088 PolarHBondContact O-N 2.85Å; H1086-L1089 PolarHBondContact O-N 3.4Å; H1086-T1090 PolarHBondContact O-N 2.88Å; H1086-Q1117 WeakPolarHBondContact CD2-CG 3.41Å; H1086-Q1117 WeakPolarHBondContact NE2-CG 3.42Å; H1086-Q1117 PolarHBondContact NE2-NE2 3.26Å; H1086-L1120 HydrophobicContact CB-CD2 4.44Å |
| 1087 | M | 74.9 | Confident | 65.5 | Low | 76 Ų | 76 | 79.3 Ų | 79.3 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.2 | -34.5 | 178.6 | -71.5 | -174 | 170.5 | 0 | 0 | 113.4 | V1083 L1089 T1090 N1091 A1156 | V1083-M1087 HydrophobicContact CG1-CE 3.84Å; V1083-M1087 HydrophobicContact CG1-CG 4.32Å; V1083-M1087 HydrophobicContact CG1-SD 4.07Å; V1083-M1087 WeakPolarHBondContact O-CG 3.3Å; V1083-M1087 PolarHBondContact O-N 3Å; M1087-L1089 VanDerWaalsContact C-N 3.32Å; M1087-T1090 PolarHBondContact O-OG1 3.47Å; M1087-N1091 PolarHBondContact O-N 3.33Å; M1087-A1156 HydrophobicContact CE-CB 3.89Å; M1087-A1156 WeakPolarHBondContact CE-O 3.47Å |
| 1088 | Q | 70.7 | Confident | 62.4 | Low | 137 Ų | 137 | 78.9 Ų | 78.9 | 64% | 0.64 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -66.6 | -35.5 | 175.8 | -76.6 | 174.8 | 0.9 | 0 | 0 | 112 | K1084 Q1085 H1086 | K1084-Q1088 WeakPolarHBondContact O-CB 3.47Å; K1084-Q1088 VanDerWaalsContact O-CG 3.27Å; K1084-Q1088 WeakPolarHBondContact O-CG 3.35Å; K1084-Q1088 PolarHBondContact O-N 3.25Å; Q1085-Q1088 PolarHBondContact O-N 3.45Å; H1086-Q1088 VanDerWaalsContact C-N 3.34Å; H1086-Q1088 PolarHBondContact O-N 2.85Å |
| 1089 | L | 60.7 | Low | 59.4 | Low | 57 Ų | 57 | 83.2 Ų | 83.2 | 30% | 0.298 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.8 | -40.9 | 178.9 | -71.4 | 160.9 | 0 | 0 | 0 | 111.7 | Q1085 H1086 M1087 N1091 T1092 S1116 | Q1085-L1089 WeakPolarHBondContact O-CD1 3.29Å; Q1085-L1089 WeakPolarHBondContact O-CG 3.18Å; Q1085-L1089 PolarHBondContact O-N 3.42Å; H1086-L1089 PolarHBondContact O-N 3.4Å; M1087-L1089 VanDerWaalsContact C-N 3.32Å; L1089-N1091 VanDerWaalsContact C-N 3.33Å; L1089-N1091 PolarHBondContact O-N 3.19Å; L1089-T1092 PolarHBondContact O-N 3.27Å; L1089-T1092 PolarHBondContact O-OG1 3.46Å; L1089-S1116 VanDerWaalsContact CD1-OG 3.29Å; L1089-S1116 WeakPolarHBondContact CD1-OG 3.05Å |
| 1090 | T | 58 | Low | 56.3 | Low | 76 Ų | 76 | 89 Ų | 89 | 47% | 0.466 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.9 | -33.1 | -179.4 | 54.1 | 0 | 0 | 0 | 0 | 113.2 | H1086 M1087 T1092 | H1086-T1090 PolarHBondContact O-N 2.88Å; M1087-T1090 PolarHBondContact O-OG1 3.47Å; T1090-T1092 VanDerWaalsContact C-N 3.32Å; T1090-T1092 PolarHBondContact O-N 3.2Å |
| 1091 | N | 50 | Low | 53.3 | Low | 134 Ų | 134 | 93.2 Ų | 93.2 | 72% | 0.717 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -74 | -19.2 | -177.8 | -72.2 | -8.7 | 0 | 0 | 0 | 114 | M1087 L1089 | M1087-N1091 PolarHBondContact O-N 3.33Å; L1089-N1091 VanDerWaalsContact C-N 3.33Å; L1089-N1091 PolarHBondContact O-N 3.19Å |
| 1092 | T | 44 | Very low | 50.2 | Low | 108 Ų | 108 | 91.8 Ų | 91.8 | 66% | 0.663 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -84.6 | -12.7 | -176.4 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | L1089 T1090 | L1089-T1092 PolarHBondContact O-N 3.27Å; L1089-T1092 PolarHBondContact O-OG1 3.46Å; T1090-T1092 VanDerWaalsContact C-N 3.32Å; T1090-T1092 PolarHBondContact O-N 3.2Å |
| 1093 | S | 35.3 | Very low | 47.3 | Very low | 89 Ų | 89 | 98.5 Ų | 98.5 | 62% | 0.622 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -90.9 | 1.2 | -177.1 | -61.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1094 | G | 31.9 | Very low | 44.5 | Very low | 73 Ų | 73 | 103.5 Ų | 103.5 | 75% | 0.753 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -94 | -2.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 1095 | S | 27.5 | Very low | 41.7 | Very low | 99 Ų | 99 | 101.3 Ų | 101.3 | 69% | 0.692 | 66% | 0.661 | S | S | * | * | trans | -118.5 | 69.5 | -172.9 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1096 | L | 28.6 | Very low | 39 | Very low | 177 Ų | 177 | 101 Ų | 101 | 93% | 0.927 | 68% | 0.682 | S | S | * | * | trans | -122.9 | 68.5 | 162.1 | -74.9 | 171.1 | 0 | 0 | 0 | 109.4 | ||||
| 1097 | T | 26 | Very low | 36.7 | Very low | 122 Ų | 122 | 105.5 Ų | 105.5 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -112.4 | 133.8 | 158.2 | 55.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1098 | S | 25.6 | Very low | 34.6 | Very low | 110 Ų | 110 | 105 Ų | 105 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 86.9 | 106.4 | 168 | 73.1 | 0 | 0 | 0 | 0 | 118.9 | ||
| 1099 | S | 25.8 | Very low | 33 | Very low | 109 Ų | 109 | 105.5 Ų | 105.5 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | trans | 61 | 98.9 | 137.4 | 59.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1100 | S | 26.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 105.4 Ų | 105.4 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | 177.8 | 132.3 | 106.6 | 45.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1101 | S | 26 | Very low | 31 | Very low | 128 Ų | 128 | 104.8 Ų | 104.8 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | trans | -62.5 | 126.1 | 174.8 | 45.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1102 | G | 25.5 | Very low | 30.7 | Very low | 67 Ų | 67 | 106.3 Ų | 106.3 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | trans | 170.3 | 81.9 | 171 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1103 | V | 26.6 | Very low | 31 | Very low | 142 Ų | 142 | 103.9 Ų | 103.9 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | 65.1 | 116.6 | 150.8 | -168.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1104 | S | 26 | Very low | 32.2 | Very low | 118 Ų | 118 | 103.8 Ų | 103.8 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | -47.2 | 123.5 | 169.7 | 50.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1105 | G | 27.1 | Very low | 33.8 | Very low | 81 Ų | 81 | 102 Ų | 102 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | trans | -154.9 | 49.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1106 | G | 26 | Very low | 35.9 | Very low | 85 Ų | 85 | 97.8 Ų | 97.8 | 88% | 0.876 | 67% | 0.673 | S | S | * | * | trans | -97.7 | 88.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1107 | A | 28.2 | Very low | 38.2 | Very low | 104 Ų | 104 | 92.3 Ų | 92.3 | 86% | 0.86 | 64% | 0.643 | S | S | * | * | trans | -148.9 | 96.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1108 | G | 31.2 | Very low | 40.8 | Very low | 66 Ų | 66 | 89.6 Ų | 89.6 | 68% | 0.68 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 170.6 | -15.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 1109 | I | 36 | Very low | 43.6 | Very low | 147 Ų | 147 | 85.8 Ų | 85.8 | 75% | 0.754 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -84.8 | -17.7 | -171.2 | -63.5 | 174.8 | 0 | 0 | 0 | 113.7 | S1111 | I1109-S1111 PolarHBondContact O-N 2.9Š|
| 1110 | G | 37.1 | Very low | 46.6 | Very low | 55 Ų | 55 | 80.7 Ų | 80.7 | 57% | 0.567 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.8 | -27.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1111 | S | 40.1 | Very low | 49.6 | Very low | 64 Ų | 64 | 78.2 Ų | 78.2 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -80.1 | -30.2 | -169.2 | -177.9 | 0 | 0 | 0 | 0 | 114.2 | I1109 T1115 | I1109-S1111 PolarHBondContact O-N 2.9Å; S1111-T1115 PolarHBondContact O-OG1 3.44Å |
| 1112 | K | 44.4 | Very low | 52.7 | Low | 166 Ų | 166 | 73.6 Ų | 73.6 | 72% | 0.722 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73.6 | -34.1 | -178.8 | -76.8 | -174.5 | 176.4 | -179.9 | 0 | 113.4 | N1114 T1115 | K1112-N1114 PolarHBondContact O-N 3.35Å; K1112-T1115 PolarHBondContact O-N 2.77Å |
| 1113 | N | 49.9 | Very low | 55.9 | Low | 56 Ų | 56 | 70.4 Ų | 70.4 | 30% | 0.299 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | -177 | -81.6 | -1.1 | 0 | 0 | 0 | 113.2 | T1115 S1116 | N1113-T1115 VanDerWaalsContact C-N 3.35Å; N1113-T1115 PolarHBondContact O-N 3.19Å; N1113-S1116 PolarHBondContact O-OG 2.88Å |
| 1114 | N | 60.1 | Low | 59 | Low | 88 Ų | 88 | 63.7 Ų | 63.7 | 47% | 0.471 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70.2 | -34 | -178.1 | -66.7 | 2.5 | 0 | 0 | 0 | 111.6 | K1112 S1116 Q1117 H1118 | K1112-N1114 PolarHBondContact O-N 3.35Å; N1114-S1116 PolarHBondContact O-N 3.2Å; N1114-Q1117 WeakPolarHBondContact O-CB 3.42Å; N1114-Q1117 PolarHBondContact O-N 3.17Å; N1114-H1118 PolarHBondContact O-CD2 3.44Å; N1114-H1118 PolarHBondContact O-N 2.91Å; N1114-H1118 VanDerWaalsContact O-N 3.09Å |
| 1115 | T | 66.1 | Low | 62.1 | Low | 36 Ų | 36 | 59.7 Ų | 59.7 | 22% | 0.221 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.2 | -48.9 | -172.9 | -60.6 | 0 | 0 | 0 | 0 | 112.9 | T1018 S1111 K1112 N1113 Q1117 H1118 Q1119 | T1018-T1115 HydrophobicContact CG2-CG2 3.25Å; S1111-T1115 PolarHBondContact O-OG1 3.44Å; K1112-T1115 PolarHBondContact O-N 2.77Å; N1113-T1115 VanDerWaalsContact C-N 3.35Å; N1113-T1115 PolarHBondContact O-N 3.19Å; T1115-Q1117 VanDerWaalsContact C-N 3.3Å; T1115-Q1117 PolarHBondContact O-N 3.43Å; T1115-H1118 PolarHBondContact O-N 3.4Å; T1115-Q1119 PolarHBondContact O-N 3.48Å; T1115-Q1119 VanDerWaalsContact O-N 3.07Å |
| 1116 | S | 71.2 | Confident | 65.3 | Low | 10 Ų | 10 | 55.9 Ų | 55.9 | 7% | 0.07 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.2 | -33.2 | -178 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | L1089 N1113 N1114 Q1119 L1120 | L1089-S1116 VanDerWaalsContact CD1-OG 3.29Å; L1089-S1116 WeakPolarHBondContact CD1-OG 3.05Å; N1113-S1116 PolarHBondContact O-OG 2.88Å; N1114-S1116 PolarHBondContact O-N 3.2Å; S1116-Q1119 PolarHBondContact O-N 2.79Å; S1116-L1120 WeakPolarHBondContact O-CB 3.14Å; S1116-L1120 PolarHBondContact O-N 3.01Å; S1116-L1120 VanDerWaalsContact O-N 3.07Å |
| 1117 | Q | 76.3 | Confident | 68.5 | Low | 61 Ų | 61 | 51.9 Ų | 51.9 | 29% | 0.285 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.9 | -49.2 | 173.1 | -74.5 | 179.3 | 8.1 | 0 | 0 | 111.8 | H1086 N1114 T1115 Q1119 L1120 Y1121 | H1086-Q1117 WeakPolarHBondContact CD2-CG 3.41Å; H1086-Q1117 WeakPolarHBondContact NE2-CG 3.42Å; H1086-Q1117 PolarHBondContact NE2-NE2 3.26Å; N1114-Q1117 WeakPolarHBondContact O-CB 3.42Å; N1114-Q1117 PolarHBondContact O-N 3.17Å; T1115-Q1117 VanDerWaalsContact C-N 3.3Å; T1115-Q1117 PolarHBondContact O-N 3.43Å; Q1117-Q1119 PolarHBondContact O-N 3.18Å; Q1117-L1120 PolarHBondContact O-N 3.31Å; Q1117-Y1121 PolarHBondContact O-N 2.74Å |
| 1118 | H | 80.2 | Confident | 71.6 | Confident | 65 Ų | 65 | 49.3 Ų | 49.3 | 30% | 0.301 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 178.2 | -69.8 | -65.6 | 0 | 0 | 0 | 112 | E1050 N1114 T1115 L1120 Y1121 Y1122 | E1050-H1118 IonicContact OE1-CE1 3.67Å; N1114-H1118 PolarHBondContact O-CD2 3.44Å; N1114-H1118 PolarHBondContact O-N 2.91Å; N1114-H1118 VanDerWaalsContact O-N 3.09Å; T1115-H1118 PolarHBondContact O-N 3.4Å; H1118-L1120 PolarHBondContact O-N 3.16Å; H1118-Y1121 PolarHBondContact O-N 3.09Å; H1118-Y1122 HydrophobicContact CB-CE2 4.41Å; H1118-Y1122 WeakPolarHBondContact O-CD2 3.22Å; H1118-Y1122 PolarHBondContact O-N 3.2Å; H1118-Y1122 VanDerWaalsContact O-N 3.13Å |
| 1119 | Q | 85.8 | Confident | 74.4 | Confident | 30 Ų | 30 | 47 Ų | 47 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.6 | -46.3 | 177.4 | -176.3 | -179.7 | -4.7 | 0 | 0 | 111.6 | T1115 S1116 Q1117 Y1122 L1123 | T1115-Q1119 PolarHBondContact O-N 3.48Å; T1115-Q1119 VanDerWaalsContact O-N 3.07Å; S1116-Q1119 PolarHBondContact O-N 2.79Å; Q1117-Q1119 PolarHBondContact O-N 3.18Å; Q1119-Y1122 PolarHBondContact O-N 2.92Å; Q1119-L1123 HydrophobicContact CG-CD1 4Å; Q1119-L1123 WeakPolarHBondContact O-CG 3.36Å; Q1119-L1123 PolarHBondContact O-N 3.03Å |
| 1120 | L | 88.9 | Confident | 77 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 178.1 | 179.2 | 59.5 | 0 | 0 | 0 | 111.8 | I1079 A1082 V1083 H1086 S1116 Q1117 H1118 Y1122 L1123 I1124 L1160 | I1079-L1120 HydrophobicContact CG2-CD1 3.97Å; A1082-L1120 HydrophobicContact CB-CB 4.39Å; A1082-L1120 HydrophobicContact CB-CD1 4.17Å; V1083-L1120 HydrophobicContact CG2-CD1 3.53Å; V1083-L1120 HydrophobicContact CG2-CD2 4.24Å; H1086-L1120 HydrophobicContact CB-CD2 4.44Å; S1116-L1120 WeakPolarHBondContact O-CB 3.14Å; S1116-L1120 PolarHBondContact O-N 3.01Å; S1116-L1120 VanDerWaalsContact O-N 3.07Å; Q1117-L1120 PolarHBondContact O-N 3.31Å; H1118-L1120 PolarHBondContact O-N 3.16Å; L1120-Y1122 VanDerWaalsContact C-N 3.34Å; L1120-Y1122 PolarHBondContact O-N 3.48Å; L1120-L1123 PolarHBondContact O-N 2.73Å; L1120-I1124 HydrophobicContact CD1-CD1 3.82Å; L1120-I1124 HydrophobicContact CD1-CG1 4.13Å; L1120-I1124 HydrophobicContact CG-CD1 3.85Å; L1120-I1124 WeakPolarHBondContact O-CG1 3.42Å; L1120-I1124 PolarHBondContact O-N 2.99Å; L1120-L1160 HydrophobicContact CD2-CD1 3.62Å |
| 1121 | Y | 89.5 | Confident | 79.4 | Confident | 71 Ų | 71 | 37.4 Ų | 37.4 | 28% | 0.278 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -53.5 | -49.2 | 177 | 175 | -89.6 | 0 | 0 | 0 | 111.8 | Q1117 H1118 I1124 Q1125 L1168 | Q1117-Y1121 PolarHBondContact O-N 2.74Å; H1118-Y1121 PolarHBondContact O-N 3.09Å; Y1121-I1124 PolarHBondContact O-N 2.86Å; Y1121-Q1125 PolarHBondContact O-N 2.76Å; Y1121-L1168 HydrophobicContact CD2-CD1 3.71Å; Y1121-L1168 HydrophobicContact CE1-CD1 4.39Å; Y1121-L1168 HydrophobicContact CE2-CD1 3.35Å; Y1121-L1168 HydrophobicContact CE2-CG 4.28Å; Y1121-L1168 HydrophobicContact CG-CD1 4.36Å |
| 1122 | Y | 90.9 | Very high | 81.5 | Confident | 30 Ų | 30 | 36.6 Ų | 36.6 | 12% | 0.118 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71.3 | -32.7 | -178.5 | -72.8 | -59.5 | 0 | 0 | 0 | 113.7 | L1015 K1053 P1054 A1057 H1118 Q1119 L1120 Q1125 A1126 | L1015-Y1122 HydrophobicContact CD2-CG 4.24Å; K1053-Y1122 HydrophobicContact CB-CD1 4.25Å; K1053-Y1122 HydrophobicContact CB-CD2 3.68Å; K1053-Y1122 HydrophobicContact CB-CE1 4.02Å; K1053-Y1122 HydrophobicContact CB-CE2 3.43Å; K1053-Y1122 VanDerWaalsContact CB-CE2 3.43Å; K1053-Y1122 HydrophobicContact CB-CG 4.11Å; K1053-Y1122 HydrophobicContact CD-CD2 3.96Å; K1053-Y1122 HydrophobicContact CD-CE2 3.67Å; K1053-Y1122 HydrophobicContact CG-CD2 4.41Å; K1053-Y1122 HydrophobicContact CG-CE2 4.17Å; P1054-Y1122 HydrophobicContact CB-CE1 4.19Å; P1054-Y1122 HydrophobicContact CG-CE1 3.76Å; A1057-Y1122 HydrophobicContact CB-CD1 4.01Å; A1057-Y1122 HydrophobicContact CB-CG 4.44Å; A1057-Y1122 WeakPolarHBondContact CB-O 3.38Å; H1118-Y1122 HydrophobicContact CB-CE2 4.41Å; H1118-Y1122 WeakPolarHBondContact O-CD2 3.22Å; H1118-Y1122 PolarHBondContact O-N 3.2Å; H1118-Y1122 VanDerWaalsContact O-N 3.13Å; Q1119-Y1122 PolarHBondContact O-N 2.92Å; L1120-Y1122 VanDerWaalsContact C-N 3.34Å; L1120-Y1122 PolarHBondContact O-N 3.48Å; Y1122-Q1125 WeakPolarHBondContact O-CB 3.34Å; Y1122-Q1125 PolarHBondContact O-N 3.16Å; Y1122-A1126 PolarHBondContact O-N 3.25Å |
| 1123 | L | 92.4 | Very high | 83.3 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.4 | -37.6 | 173.3 | -70.1 | 169.5 | 0 | 0 | 0 | 111.6 | L1015 L1060 L1075 I1079 A1082 Q1119 L1120 Q1125 A1126 L1127 | L1015-L1123 HydrophobicContact CD1-CD2 3.74Å; L1015-L1123 HydrophobicContact CD1-CG 4.26Å; L1060-L1123 HydrophobicContact CD2-CD2 4.27Å; L1075-L1123 HydrophobicContact CD1-CD2 4.23Å; I1079-L1123 HydrophobicContact CG1-CB 3.71Å; A1082-L1123 HydrophobicContact CB-CD1 3.78Å; Q1119-L1123 HydrophobicContact CG-CD1 4Å; Q1119-L1123 WeakPolarHBondContact O-CG 3.36Å; Q1119-L1123 PolarHBondContact O-N 3.03Å; L1120-L1123 PolarHBondContact O-N 2.73Å; L1123-Q1125 VanDerWaalsContact C-N 3.34Å; L1123-A1126 WeakPolarHBondContact O-CB 3.42Å; L1123-A1126 PolarHBondContact O-N 2.69Å; L1123-L1127 PolarHBondContact O-N 3.41Å |
| 1124 | I | 92.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.9 | -37 | 172.3 | -65.6 | 169.4 | 0 | 0 | 0 | 110.4 | I1079 L1120 Y1121 A1126 L1127 R1128 C1157 T1165 L1168 V1169 | I1079-I1124 HydrophobicContact CG2-CG1 4.4Å; L1120-I1124 HydrophobicContact CD1-CD1 3.82Å; L1120-I1124 HydrophobicContact CD1-CG1 4.13Å; L1120-I1124 HydrophobicContact CG-CD1 3.85Å; L1120-I1124 WeakPolarHBondContact O-CG1 3.42Å; L1120-I1124 PolarHBondContact O-N 2.99Å; Y1121-I1124 PolarHBondContact O-N 2.86Å; I1124-A1126 VanDerWaalsContact C-N 3.31Å; I1124-A1126 PolarHBondContact O-N 2.88Å; I1124-L1127 CarbonylContact O-C 3.56Å; I1124-L1127 WeakPolarHBondContact O-CB 3.35Å; I1124-L1127 PolarHBondContact O-N 3.17Å; I1124-R1128 WeakPolarHBondContact O-CB 3.44Å; I1124-R1128 PolarHBondContact O-N 3.23Å; I1124-C1157 HydrophobicContact CD1-CB 4.43Å; I1124-T1165 HydrophobicContact CD1-CG2 3.68Å; I1124-L1168 HydrophobicContact CG2-CB 3.82Å; I1124-L1168 HydrophobicContact CG2-CD1 4.49Å; I1124-V1169 HydrophobicContact CD1-CG2 4.06Å; I1124-V1169 HydrophobicContact CG2-CG2 4.39Å |
| 1125 | Q | 91.6 | Very high | 85.7 | Confident | 35 Ų | 35 | 24.9 Ų | 24.9 | 16% | 0.164 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.7 | -38.1 | 173 | -176.1 | 65.7 | 7.2 | 0 | 0 | 112.2 | A1057 Y1121 Y1122 L1123 R1128 E1129 L1168 | A1057-Q1125 HydrophobicContact CB-CB 4.32Å; A1057-Q1125 HydrophobicContact CB-CG 4.33Å; Y1121-Q1125 PolarHBondContact O-N 2.76Å; Y1122-Q1125 WeakPolarHBondContact O-CB 3.34Å; Y1122-Q1125 PolarHBondContact O-N 3.16Å; L1123-Q1125 VanDerWaalsContact C-N 3.34Å; Q1125-R1128 WeakPolarHBondContact O-CB 3.48Å; Q1125-R1128 PolarHBondContact O-N 2.94Å; Q1125-E1129 PolarHBondContact O-N 2.94Å; Q1125-L1168 HydrophobicContact CB-CD1 4.42Å |
| 1126 | A | 93.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1057 L1060 G1061 L1075 Y1122 L1123 I1124 R1128 E1129 V1130 | A1057-A1126 WeakPolarHBondContact O-CA 3.37Å; A1057-A1126 VanDerWaalsContact O-CB 3.27Å; A1057-A1126 WeakPolarHBondContact O-CB 3.42Å; L1060-A1126 HydrophobicContact CB-CB 4.32Å; L1060-A1126 HydrophobicContact CD2-CB 4.26Å; L1060-A1126 HydrophobicContact CG-CB 4.34Å; G1061-A1126 WeakPolarHBondContact CA-O 3.14Å; L1075-A1126 HydrophobicContact CD1-CB 4.17Å; Y1122-A1126 PolarHBondContact O-N 3.25Å; L1123-A1126 WeakPolarHBondContact O-CB 3.42Å; L1123-A1126 PolarHBondContact O-N 2.69Å; I1124-A1126 VanDerWaalsContact C-N 3.31Å; I1124-A1126 PolarHBondContact O-N 2.88Å; A1126-R1128 PolarHBondContact O-N 3.18Å; A1126-E1129 WeakPolarHBondContact O-CB 3.28Å; A1126-E1129 PolarHBondContact O-N 2.93Å; A1126-V1130 WeakPolarHBondContact O-CG2 3.4Å; A1126-V1130 PolarHBondContact O-N 2.96Å; A1126-V1130 VanDerWaalsContact O-N 3.07Å |
| 1127 | L | 93.8 | Very high | 85.1 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.7 | -41.7 | 174.4 | 180 | 62.5 | 0 | 0 | 0 | 112 | L1072 I1079 L1123 I1124 E1129 V1130 L1131 M1150 L1154 | L1072-L1127 HydrophobicContact CD1-CD1 4.39Å; I1079-L1127 HydrophobicContact CD1-CB 3.93Å; I1079-L1127 HydrophobicContact CD1-CD2 4.01Å; I1079-L1127 HydrophobicContact CD1-CG 4.45Å; L1123-L1127 PolarHBondContact O-N 3.41Å; I1124-L1127 CarbonylContact O-C 3.56Å; I1124-L1127 WeakPolarHBondContact O-CB 3.35Å; I1124-L1127 PolarHBondContact O-N 3.17Å; L1127-E1129 VanDerWaalsContact C-N 3.31Å; L1127-E1129 PolarHBondContact O-N 3.46Å; L1127-V1130 WeakPolarHBondContact O-CB 3.29Å; L1127-V1130 PolarHBondContact O-N 2.65Å; L1127-V1130 VanDerWaalsContact O-N 3.11Å; L1127-L1131 HydrophobicContact CD1-CG 4.44Å; L1127-L1131 HydrophobicContact CG-CD1 4.27Å; L1127-L1131 HydrophobicContact CG-CG 4.48Å; L1127-L1131 WeakPolarHBondContact O-CG 3.36Å; L1127-L1131 PolarHBondContact O-N 2.92Å; L1127-M1150 HydrophobicContact CD1-SD 4.04Å; L1127-L1154 HydrophobicContact CD2-CD2 4.21Å; L1127-L1154 HydrophobicContact CD2-CG 4.49Å |
| 1128 | R | 92.1 | Very high | 84.3 | Confident | 51 Ų | 51 | 29.5 Ų | 29.5 | 19% | 0.192 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.3 | -48 | 173.8 | 178.3 | -167.1 | 171.9 | -73 | -12.9 | 110.6 | I1124 Q1125 A1126 V1130 L1131 V1132 E1171 | I1124-R1128 WeakPolarHBondContact O-CB 3.44Å; I1124-R1128 PolarHBondContact O-N 3.23Å; Q1125-R1128 WeakPolarHBondContact O-CB 3.48Å; Q1125-R1128 PolarHBondContact O-N 2.94Å; A1126-R1128 PolarHBondContact O-N 3.18Å; R1128-V1130 VanDerWaalsContact C-N 3.28Å; R1128-V1130 PolarHBondContact O-N 3.42Å; R1128-L1131 PolarHBondContact O-N 2.95Å; R1128-L1131 VanDerWaalsContact O-N 3.16Å; R1128-V1132 HydrophobicContact CG-CG2 4.23Å; R1128-V1132 WeakPolarHBondContact O-CG2 3.44Å; R1128-V1132 PolarHBondContact O-N 3.33Å; R1128-E1171 IonicContact CZ-OE1 2.9Å; R1128-E1171 IonicContact CZ-OE2 3.76Å; R1128-E1171 IonicContact NE-OE1 3.93Å; R1128-E1171 PolarHBondContact NE-OE1 3.34Å; R1128-E1171 IonicContact NE-OE2 3.78Å; R1128-E1171 PolarHBondContact NE-OE2 2.86Å; R1128-E1171 IonicContact NH2-OE1 3.72Å; R1128-E1171 PolarHBondContact NH2-OE1 3.45Å; R1128-E1171 IonicContact NH2-OE2 3.84Å; R1128-E1171 PolarHBondContact NH2-OE2 3.31Å |
| 1129 | E | 90 | Very high | 83.6 | Confident | 16 Ų | 16 | 27.5 Ų | 27.5 | 8% | 0.075 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.1 | -37.7 | 178.2 | -174.4 | 68.8 | -179.2 | 0 | 0 | 111.6 | L1058 R1062 Q1125 A1126 L1127 N1133 | L1058-E1129 HydrophobicContact CD2-CG 4.41Å; R1062-E1129 HydrophobicContact CG-CG 3.88Å; R1062-E1129 IonicContact CZ-OE1 3.02Å; R1062-E1129 IonicContact NE-OE1 3.5Å; R1062-E1129 PolarHBondContact NE-OE1 3.12Å; R1062-E1129 IonicContact NH2-OE1 3.71Å; Q1125-E1129 PolarHBondContact O-N 2.94Å; A1126-E1129 WeakPolarHBondContact O-CB 3.28Å; A1126-E1129 PolarHBondContact O-N 2.93Å; L1127-E1129 VanDerWaalsContact C-N 3.31Å; L1127-E1129 PolarHBondContact O-N 3.46Å; E1129-N1133 PolarHBondContact O-N 2.89Å; E1129-N1133 PolarHBondContact O-ND2 3.01Å |
| 1130 | V | 90.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.9 | -48.8 | 172.4 | 177.6 | 0 | 0 | 0 | 0 | 111 | G1061 V1064 V1065 L1072 L1075 A1126 L1127 R1128 N1133 L1134 L1143 | G1061-V1130 WeakPolarHBondContact O-CG2 3.36Å; V1064-V1130 HydrophobicContact CB-CG2 3.73Å; V1064-V1130 HydrophobicContact CG1-CG1 4.21Å; V1064-V1130 HydrophobicContact CG1-CG2 3.59Å; V1065-V1130 HydrophobicContact CG2-CB 4.49Å; V1065-V1130 HydrophobicContact CG2-CG2 4.38Å; L1072-V1130 HydrophobicContact CD1-CG1 4.26Å; L1075-V1130 HydrophobicContact CD2-CG2 4.1Å; A1126-V1130 WeakPolarHBondContact O-CG2 3.4Å; A1126-V1130 PolarHBondContact O-N 2.96Å; A1126-V1130 VanDerWaalsContact O-N 3.07Å; L1127-V1130 WeakPolarHBondContact O-CB 3.29Å; L1127-V1130 PolarHBondContact O-N 2.65Å; L1127-V1130 VanDerWaalsContact O-N 3.11Å; R1128-V1130 VanDerWaalsContact C-N 3.28Å; R1128-V1130 PolarHBondContact O-N 3.42Å; V1130-N1133 PolarHBondContact O-N 3.41Å; V1130-L1134 HydrophobicContact CG1-CD1 3.59Å; V1130-L1134 HydrophobicContact CG1-CG 4.26Å; V1130-L1134 VanDerWaalsContact O-CB 3.31Å; V1130-L1134 WeakPolarHBondContact O-CB 3.39Å; V1130-L1134 WeakPolarHBondContact O-CG 3.01Å; V1130-L1134 PolarHBondContact O-N 3.49Å; V1130-L1143 HydrophobicContact CG1-CD2 4.49Å |
| 1131 | L | 89.2 | Confident | 82.7 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.2 | -38.9 | -179.1 | -64.9 | 175.3 | 0 | 0 | 0 | 112.7 | L1127 R1128 N1133 L1134 A1135 L1143 C1172 R1175 L1176 | L1127-L1131 HydrophobicContact CD1-CG 4.44Å; L1127-L1131 HydrophobicContact CG-CD1 4.27Å; L1127-L1131 HydrophobicContact CG-CG 4.48Å; L1127-L1131 WeakPolarHBondContact O-CG 3.36Å; L1127-L1131 PolarHBondContact O-N 2.92Å; R1128-L1131 PolarHBondContact O-N 2.95Å; R1128-L1131 VanDerWaalsContact O-N 3.16Å; L1131-N1133 PolarHBondContact O-N 3.2Å; L1131-L1134 PolarHBondContact O-N 2.83Å; L1131-A1135 HydrophobicContact CB-CB 4.29Å; L1131-A1135 HydrophobicContact CD2-CB 4.24Å; L1131-A1135 WeakPolarHBondContact O-CB 3.47Å; L1131-A1135 PolarHBondContact O-N 3.32Å; L1131-L1143 HydrophobicContact CD2-CD2 3.96Å; L1131-C1172 HydrophobicContact CD1-CB 3.56Å; L1131-R1175 HydrophobicContact CB-CB 4.16Å; L1131-L1176 HydrophobicContact CD1-CD1 4.29Å; L1131-L1176 HydrophobicContact CD1-CG 3.91Å; L1131-L1176 HydrophobicContact CD2-CD2 3.5Å; L1131-L1176 VanDerWaalsContact CD2-CD2 3.5Å; L1131-L1176 HydrophobicContact CD2-CG 3.79Å |
| 1132 | V | 84.2 | Confident | 82.2 | Confident | 48 Ų | 48 | 33 Ų | 33 | 29% | 0.291 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -56.2 | -35 | 174.4 | 169.2 | 0 | 0 | 0 | 0 | 111.5 | R1128 | R1128-V1132 HydrophobicContact CG-CG2 4.23Å; R1128-V1132 WeakPolarHBondContact O-CG2 3.44Å; R1128-V1132 PolarHBondContact O-N 3.33Å |
| 1133 | N | 81.4 | Confident | 81.9 | Confident | 40 Ų | 40 | 31.5 Ų | 31.5 | 21% | 0.214 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -94.1 | -25.6 | -176.7 | -75.8 | -85 | 0 | 0 | 0 | 114 | R997 V1065 E1129 V1130 L1131 | R997-N1133 PolarHBondContact NE-OD1 3.46Å; R997-N1133 PolarHBondContact NH2-OD1 3Å; V1065-N1133 HydrophobicContact CB-CB 4.33Å; V1065-N1133 HydrophobicContact CG1-CB 3.7Å; V1065-N1133 HydrophobicContact CG2-CB 3.57Å; E1129-N1133 PolarHBondContact O-N 2.89Å; E1129-N1133 PolarHBondContact O-ND2 3.01Å; V1130-N1133 PolarHBondContact O-N 3.41Å; L1131-N1133 PolarHBondContact O-N 3.2Å |
| 1134 | L | 83.4 | Confident | 81.6 | Confident | 21 Ų | 21 | 37.1 Ų | 37.1 | 11% | 0.11 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -116.3 | -19.4 | -169.7 | -61 | -174.4 | 0 | 0 | 0 | 114.8 | V1065 P1068 V1130 L1131 G1136 N1140 L1143 | V1065-L1134 HydrophobicContact CG1-CD2 4.18Å; V1065-L1134 HydrophobicContact CG2-CG 4.37Å; P1068-L1134 HydrophobicContact CB-CD1 3.58Å; P1068-L1134 HydrophobicContact CG-CD1 3.92Å; V1130-L1134 HydrophobicContact CG1-CD1 3.59Å; V1130-L1134 HydrophobicContact CG1-CG 4.26Å; V1130-L1134 VanDerWaalsContact O-CB 3.31Å; V1130-L1134 WeakPolarHBondContact O-CB 3.39Å; V1130-L1134 WeakPolarHBondContact O-CG 3.01Å; V1130-L1134 PolarHBondContact O-N 3.49Å; L1131-L1134 PolarHBondContact O-N 2.83Å; L1134-G1136 VanDerWaalsContact C-N 3.28Å; L1134-G1136 PolarHBondContact O-N 3.29Å; L1134-N1140 HydrophobicContact CB-CB 4.43Å; L1134-N1140 HydrophobicContact CD2-CB 4.45Å; L1134-L1143 VanDerWaalsContact C-CD1 3.46Å; L1134-L1143 HydrophobicContact CB-CD1 3.44Å; L1134-L1143 VanDerWaalsContact CB-CD1 3.44Å; L1134-L1143 HydrophobicContact CB-CG 4.13Å; L1134-L1143 VanDerWaalsContact O-CD1 3.31Å; L1134-L1143 WeakPolarHBondContact O-CD1 2.94Å |
| 1135 | A | 76.3 | Confident | 81.3 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.017 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -89.8 | 26.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1131 L1143 R1175 L1178 | L1131-A1135 HydrophobicContact CB-CB 4.29Å; L1131-A1135 HydrophobicContact CD2-CB 4.24Å; L1131-A1135 WeakPolarHBondContact O-CB 3.47Å; L1131-A1135 PolarHBondContact O-N 3.32Å; A1135-L1143 HydrophobicContact CB-CD1 4.28Å; A1135-R1175 HydrophobicContact CB-CB 4.3Å; A1135-L1178 WeakPolarHBondContact O-CB 3.25Å; A1135-L1178 VanDerWaalsContact O-CD1 3.31Å; A1135-L1178 WeakPolarHBondContact O-CD1 3.49Å |
| 1136 | G | 67.2 | Low | 81.1 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 19% | 0.186 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -84.7 | -154.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | L1134 D1138 P1139 | L1134-G1136 VanDerWaalsContact C-N 3.28Å; L1134-G1136 PolarHBondContact O-N 3.29Å; G1136-D1138 VanDerWaalsContact C-N 3.34Å; G1136-D1138 PolarHBondContact O-N 3.37Å; G1136-P1139 WeakPolarHBondContact O-CD 3.19Å |
| 1137 | L | 57.2 | Low | 80.9 | Confident | 46 Ų | 46 | 45 Ų | 45 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -61.1 | -33.7 | -175.3 | -81.8 | 153.7 | 0 | 0 | 0 | 115.6 | P1139 M1225 L1256 | L1137-P1139 VanDerWaalsContact C-CD 3.4Å; L1137-P1139 WeakPolarHBondContact O-CD 3.48Å; L1137-M1225 HydrophobicContact CB-CE 4.44Å; L1137-M1225 HydrophobicContact CD1-CE 3.12Å; L1137-M1225 HydrophobicContact CD1-CG 3.95Å; L1137-M1225 HydrophobicContact CD1-SD 3.23Å; L1137-M1225 WeakPolarHBondContact CD1-SD 3.46Å; L1137-M1225 HydrophobicContact CG-CE 4.35Å; L1137-L1256 HydrophobicContact CD2-CB 3.39Å; L1137-L1256 HydrophobicContact CD2-CD2 3.77Å; L1137-L1256 HydrophobicContact CD2-CG 4.22Å; L1137-L1256 HydrophobicContact CG-CB 4.47Å; L1137-L1256 HydrophobicContact CG-CD2 3.98Å |
| 1138 | D | 60 | Low | 80.7 | Confident | 140 Ų | 140 | 49.5 Ų | 49.5 | 75% | 0.749 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -109.7 | 79 | 171.1 | -75.1 | -32.8 | 0 | 0 | 0 | 108.9 | G1136 N1140 | G1136-D1138 VanDerWaalsContact C-N 3.34Å; G1136-D1138 PolarHBondContact O-N 3.37Å; D1138-N1140 PolarHBondContact O-N 3.33Å |
| 1139 | P | 66.4 | Low | 80.6 | Confident | 23 Ų | 23 | 49.8 Ų | 49.8 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | trans | -62.5 | 127 | -176.3 | 22.9 | -31.8 | 0 | 0 | 0 | 110.4 | G1136 L1137 V1179 | G1136-P1139 WeakPolarHBondContact O-CD 3.19Å; L1137-P1139 VanDerWaalsContact C-CD 3.4Å; L1137-P1139 WeakPolarHBondContact O-CD 3.48Å; P1139-V1179 HydrophobicContact CB-CB 4.33Å; P1139-V1179 HydrophobicContact CB-CG1 4.07Å; P1139-V1179 HydrophobicContact CB-CG2 4.1Å; P1139-V1179 HydrophobicContact CG-CG1 4.45Å | ||
| 1140 | N | 75.6 | Confident | 80.6 | Confident | 41 Ų | 41 | 49 Ų | 49 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | trans | -57.1 | 138.8 | -179.4 | -176.3 | -66.4 | 0 | 0 | 0 | 111.1 | P1068 L1134 D1138 S1142 L1143 K1144 | P1068-N1140 WeakPolarHBondContact CG-ND2 3.15Å; L1134-N1140 HydrophobicContact CB-CB 4.43Å; L1134-N1140 HydrophobicContact CD2-CB 4.45Å; D1138-N1140 PolarHBondContact O-N 3.33Å; N1140-S1142 PolarHBondContact O-N 3.19Å; N1140-S1142 WeakPolarHBondContact OD1-CB 3.48Å; N1140-S1142 PolarHBondContact OD1-N 3.11Å; N1140-L1143 WeakPolarHBondContact O-CB 3.42Å; N1140-L1143 PolarHBondContact O-N 3.48Å; N1140-K1144 PolarHBondContact O-N 3.04Å | ||
| 1141 | Q | 79.1 | Confident | 80.8 | Confident | 169 Ų | 169 | 49 Ų | 49 | 79% | 0.79 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -58.9 | -32.6 | -178.3 | -67 | -177.2 | 3.7 | 0 | 0 | 113.2 | L1143 K1144 H1145 | Q1141-L1143 VanDerWaalsContact C-N 3.32Å; Q1141-L1143 PolarHBondContact O-N 2.93Å; Q1141-K1144 WeakPolarHBondContact O-CB 3.24Å; Q1141-K1144 PolarHBondContact O-N 3.14Å; Q1141-H1145 PolarHBondContact O-N 3.4Å |
| 1142 | S | 80.2 | Confident | 80.9 | Confident | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -37 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | P1068 N1140 H1145 H1146 | P1068-S1142 PolarHBondContact O-OG 3.08Å; N1140-S1142 PolarHBondContact O-N 3.19Å; N1140-S1142 WeakPolarHBondContact OD1-CB 3.48Å; N1140-S1142 PolarHBondContact OD1-N 3.11Å; S1142-H1145 PolarHBondContact O-N 2.92Å; S1142-H1146 PolarHBondContact O-N 2.67Å; S1142-H1146 PolarHBondContact O-ND1 3.5Å |
| 1143 | L | 84.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 174.7 | -73.5 | 178.1 | 0 | 0 | 0 | 111.2 | L1072 V1130 L1131 L1134 A1135 N1140 Q1141 H1145 H1146 L1147 M1150 | L1072-L1143 HydrophobicContact CD2-CD2 3.99Å; V1130-L1143 HydrophobicContact CG1-CD2 4.49Å; L1131-L1143 HydrophobicContact CD2-CD2 3.96Å; L1134-L1143 VanDerWaalsContact C-CD1 3.46Å; L1134-L1143 HydrophobicContact CB-CD1 3.44Å; L1134-L1143 VanDerWaalsContact CB-CD1 3.44Å; L1134-L1143 HydrophobicContact CB-CG 4.13Å; L1134-L1143 VanDerWaalsContact O-CD1 3.31Å; L1134-L1143 WeakPolarHBondContact O-CD1 2.94Å; A1135-L1143 HydrophobicContact CB-CD1 4.28Å; N1140-L1143 WeakPolarHBondContact O-CB 3.42Å; N1140-L1143 PolarHBondContact O-N 3.48Å; Q1141-L1143 VanDerWaalsContact C-N 3.32Å; Q1141-L1143 PolarHBondContact O-N 2.93Å; L1143-H1145 VanDerWaalsContact C-N 3.34Å; L1143-H1145 PolarHBondContact O-N 2.96Å; L1143-H1146 CarbonylContact O-C 3.21Å; L1143-H1146 PolarHBondContact O-N 3.35Å; L1143-L1147 WeakPolarHBondContact O-CA 3.12Å; L1143-L1147 WeakPolarHBondContact O-CB 3.5Å; L1143-L1147 PolarHBondContact O-N 3.01Å; L1143-M1150 HydrophobicContact CB-CE 4.4Å; L1143-M1150 HydrophobicContact CD2-CE 3.78Å; L1143-M1150 HydrophobicContact CD2-SD 4.11Å; L1143-M1150 WeakPolarHBondContact O-CE 3.06Å |
| 1144 | K | 84 | Confident | 81.7 | Confident | 118 Ų | 118 | 48.6 Ų | 48.6 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 177.2 | -68.1 | -174 | 178.8 | -174.3 | 0 | 111.5 | N1140 Q1141 H1146 L1147 V1179 | N1140-K1144 PolarHBondContact O-N 3.04Å; Q1141-K1144 WeakPolarHBondContact O-CB 3.24Å; Q1141-K1144 PolarHBondContact O-N 3.14Å; K1144-H1146 VanDerWaalsContact C-N 3.31Å; K1144-H1146 PolarHBondContact O-N 3.2Å; K1144-L1147 WeakPolarHBondContact O-CB 3.35Å; K1144-L1147 PolarHBondContact O-N 3.5Å; K1144-V1179 HydrophobicContact CG-CG1 3.61Å |
| 1145 | H | 86.9 | Confident | 82.1 | Confident | 152 Ų | 152 | 48.8 Ų | 48.8 | 70% | 0.704 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.6 | -37.6 | 178.7 | -175.3 | -82.6 | 0 | 0 | 0 | 112.9 | Q1141 S1142 L1143 | Q1141-H1145 PolarHBondContact O-N 3.4Å; S1142-H1145 PolarHBondContact O-N 2.92Å; L1143-H1145 VanDerWaalsContact C-N 3.34Å; L1143-H1145 PolarHBondContact O-N 2.96Å |
| 1146 | H | 87.8 | Confident | 82.7 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 17% | 0.171 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 9.5 | -177 | -62.1 | 94.6 | 0 | 0 | 0 | 114 | L1072 I1076 S1142 L1143 K1144 D1148 S1149 M1150 | L1072-H1146 HydrophobicContact CD2-CB 4.4Å; I1076-H1146 HydrophobicContact CD1-CB 3.65Å; S1142-H1146 PolarHBondContact O-N 2.67Å; S1142-H1146 PolarHBondContact O-ND1 3.5Å; L1143-H1146 CarbonylContact O-C 3.21Å; L1143-H1146 PolarHBondContact O-N 3.35Å; K1144-H1146 VanDerWaalsContact C-N 3.31Å; K1144-H1146 PolarHBondContact O-N 3.2Å; H1146-D1148 PolarHBondContact O-N 2.97Å; H1146-S1149 PolarHBondContact O-N 3.45Å; H1146-M1150 HydrophobicContact CB-CE 4.21Å; H1146-M1150 WeakPolarHBondContact O-CG 3.25Å; H1146-M1150 PolarHBondContact O-N 3.39Å |
| 1147 | L | 88.9 | Confident | 83.7 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.5 | -50 | -170.6 | -177.1 | 136.3 | 0 | 0 | 0 | 112.6 | L1143 K1144 S1149 M1150 W1151 V1179 L1184 | L1143-L1147 WeakPolarHBondContact O-CA 3.12Å; L1143-L1147 WeakPolarHBondContact O-CB 3.5Å; L1143-L1147 PolarHBondContact O-N 3.01Å; K1144-L1147 WeakPolarHBondContact O-CB 3.35Å; K1144-L1147 PolarHBondContact O-N 3.5Å; L1147-S1149 VanDerWaalsContact C-N 3.31Å; L1147-S1149 PolarHBondContact O-N 3.22Å; L1147-M1150 PolarHBondContact O-N 2.87Å; L1147-W1151 VanDerWaalsContact O-CB 3.28Å; L1147-W1151 WeakPolarHBondContact O-CB 3.3Å; L1147-W1151 PolarHBondContact O-N 3.29Å; L1147-V1179 HydrophobicContact CD1-CB 3.84Å; L1147-V1179 HydrophobicContact CD1-CG1 3.64Å; L1147-V1179 HydrophobicContact CD1-CG2 4.48Å; L1147-L1184 HydrophobicContact CD1-CD1 3.9Å; L1147-L1184 HydrophobicContact CD2-CD2 3.84Å |
| 1148 | D | 90.1 | Very high | 85.2 | Confident | 94 Ų | 94 | 47.8 Ų | 47.8 | 50% | 0.503 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.5 | -35.8 | -179 | -76.9 | -46.9 | 0 | 0 | 0 | 112.8 | H1146 S1152 R1187 | H1146-D1148 PolarHBondContact O-N 2.97Å; D1148-S1152 WeakPolarHBondContact O-CB 3.26Å; D1148-S1152 PolarHBondContact O-N 3.27Å; D1148-S1152 PolarHBondContact O-OG 3.43Å; D1148-R1187 IonicContact OD1-CZ 3.72Å; D1148-R1187 IonicContact OD1-NH1 3.63Å; D1148-R1187 PolarHBondContact OD1-NH1 3.2Å; D1148-R1187 IonicContact OD1-NH2 2.71Å; D1148-R1187 PolarHBondContact OD1-NH2 3.45Å |
| 1149 | S | 89.1 | Confident | 86.4 | Confident | 57 Ų | 57 | 42.6 Ų | 42.6 | 40% | 0.399 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.5 | -43.4 | 177.3 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | H1146 L1147 S1152 L1153 | H1146-S1149 PolarHBondContact O-N 3.45Å; L1147-S1149 VanDerWaalsContact C-N 3.31Å; L1147-S1149 PolarHBondContact O-N 3.22Å; S1149-S1152 PolarHBondContact O-OG 3.46Å; S1149-S1152 VanDerWaalsContact O-OG 3.11Å; S1149-L1153 VanDerWaalsContact O-CB 3.23Å; S1149-L1153 WeakPolarHBondContact O-CB 3.41Å; S1149-L1153 PolarHBondContact O-N 2.93Å |
| 1150 | M | 91.2 | Very high | 87.4 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.7 | -42.8 | 176.4 | -68.1 | -176.3 | -68.5 | 0 | 0 | 111.1 | L1072 I1076 L1127 L1143 H1146 L1147 L1153 L1154 L1176 | L1072-M1150 HydrophobicContact CD1-SD 4.44Å; L1072-M1150 HydrophobicContact CD2-SD 4.38Å; I1076-M1150 HydrophobicContact CD1-CG 3.55Å; I1076-M1150 HydrophobicContact CD1-SD 4.13Å; I1076-M1150 HydrophobicContact CG1-CG 4.04Å; L1127-M1150 HydrophobicContact CD1-SD 4.04Å; L1143-M1150 HydrophobicContact CB-CE 4.4Å; L1143-M1150 HydrophobicContact CD2-CE 3.78Å; L1143-M1150 HydrophobicContact CD2-SD 4.11Å; L1143-M1150 WeakPolarHBondContact O-CE 3.06Å; H1146-M1150 HydrophobicContact CB-CE 4.21Å; H1146-M1150 WeakPolarHBondContact O-CG 3.25Å; H1146-M1150 PolarHBondContact O-N 3.39Å; L1147-M1150 PolarHBondContact O-N 2.87Å; M1150-L1153 PolarHBondContact O-N 3.44Å; M1150-L1154 WeakPolarHBondContact O-CB 3.42Å; M1150-L1154 WeakPolarHBondContact O-CG 3.5Å; M1150-L1154 PolarHBondContact O-N 3.34Å; M1150-L1176 HydrophobicContact CB-CD1 4.15Å; M1150-L1176 HydrophobicContact CE-CD2 3.86Å; M1150-L1176 HydrophobicContact SD-CD2 4.46Å |
| 1151 | W | 93.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -51.8 | -179.7 | -167.7 | -86.5 | 0 | 0 | 0 | 112.2 | L1147 L1153 L1154 L1155 L1173 L1176 L1184 R1187 L1188 | L1147-W1151 VanDerWaalsContact O-CB 3.28Å; L1147-W1151 WeakPolarHBondContact O-CB 3.3Å; L1147-W1151 PolarHBondContact O-N 3.29Å; W1151-L1153 VanDerWaalsContact C-N 3.3Å; W1151-L1153 PolarHBondContact O-N 2.95Å; W1151-L1154 PolarHBondContact O-N 3.14Å; W1151-L1155 WeakPolarHBondContact O-CG 3.42Å; W1151-L1155 PolarHBondContact O-N 3.49Å; W1151-L1173 HydrophobicContact CD2-CD2 4.19Å; W1151-L1173 HydrophobicContact CE3-CD2 4.06Å; W1151-L1173 HydrophobicContact CH2-CD2 4.32Å; W1151-L1173 HydrophobicContact CZ2-CD2 4.41Å; W1151-L1173 HydrophobicContact CZ3-CD2 4.12Å; W1151-L1176 HydrophobicContact CE3-CB 4.3Å; W1151-L1176 HydrophobicContact CE3-CD1 4.5Å; W1151-L1176 HydrophobicContact CZ3-CB 4.19Å; W1151-L1184 HydrophobicContact CD2-CD2 4.35Å; W1151-L1184 HydrophobicContact CE3-CD2 3.96Å; W1151-L1184 HydrophobicContact CH2-CB 4Å; W1151-L1184 HydrophobicContact CH2-CD2 4.21Å; W1151-L1184 HydrophobicContact CZ3-CB 4.1Å; W1151-L1184 HydrophobicContact CZ3-CD1 4.41Å; W1151-L1184 HydrophobicContact CZ3-CD2 3.89Å; W1151-L1184 HydrophobicContact CZ3-CG 4.34Å; W1151-R1187 VanDerWaalsContact CD1-NE 3.32Å; W1151-R1187 HydrophobicContact CZ2-CB 4.16Å; W1151-R1187 HydrophobicContact CZ2-CG 4.13Å; W1151-L1188 HydrophobicContact CH2-CD1 4.19Å; W1151-L1188 HydrophobicContact CH2-CD2 3.83Å; W1151-L1188 HydrophobicContact CH2-CG 3.63Å; W1151-L1188 HydrophobicContact CZ2-CD2 3.73Å; W1151-L1188 HydrophobicContact CZ2-CG 3.74Å |
| 1152 | S | 91 | Very high | 87.9 | Confident | 64 Ų | 64 | 40.2 Ų | 40.2 | 45% | 0.448 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.9 | -38.2 | 179 | 55 | 0 | 0 | 0 | 0 | 112.3 | D1148 S1149 L1155 A1156 | D1148-S1152 WeakPolarHBondContact O-CB 3.26Å; D1148-S1152 PolarHBondContact O-N 3.27Å; D1148-S1152 PolarHBondContact O-OG 3.43Å; S1149-S1152 PolarHBondContact O-OG 3.46Å; S1149-S1152 VanDerWaalsContact O-OG 3.11Å; S1152-L1155 PolarHBondContact O-N 3.35Å; S1152-A1156 PolarHBondContact O-N 2.93Å |
| 1153 | L | 91 | Very high | 88.1 | Confident | 16 Ų | 16 | 44 Ų | 44 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 176.2 | -177.4 | 147.4 | 0 | 0 | 0 | 112.6 | I1079 S1149 M1150 W1151 A1156 C1157 | I1079-L1153 HydrophobicContact CB-CD1 3.94Å; I1079-L1153 HydrophobicContact CB-CD2 4.18Å; I1079-L1153 HydrophobicContact CG2-CD1 3.81Å; I1079-L1153 HydrophobicContact CG2-CD2 3.3Å; I1079-L1153 HydrophobicContact CG2-CG 4.04Å; S1149-L1153 VanDerWaalsContact O-CB 3.23Å; S1149-L1153 WeakPolarHBondContact O-CB 3.41Å; S1149-L1153 PolarHBondContact O-N 2.93Å; M1150-L1153 PolarHBondContact O-N 3.44Å; W1151-L1153 VanDerWaalsContact C-N 3.3Å; W1151-L1153 PolarHBondContact O-N 2.95Å; L1153-A1156 WeakPolarHBondContact O-CB 2.9Å; L1153-A1156 PolarHBondContact O-N 3.41Å; L1153-C1157 PolarHBondContact O-N 3.49Å; L1153-C1157 PolarHBondContact O-SG 2.91Å |
| 1154 | L | 93.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 177.4 | -73.2 | 169.7 | 0 | 0 | 0 | 111.6 | L1127 M1150 W1151 A1156 C1157 S1158 V1169 C1172 L1173 L1176 | L1127-L1154 HydrophobicContact CD2-CD2 4.21Å; L1127-L1154 HydrophobicContact CD2-CG 4.49Å; M1150-L1154 WeakPolarHBondContact O-CB 3.42Å; M1150-L1154 WeakPolarHBondContact O-CG 3.5Å; M1150-L1154 PolarHBondContact O-N 3.34Å; W1151-L1154 PolarHBondContact O-N 3.14Å; L1154-A1156 VanDerWaalsContact C-N 3.34Å; L1154-A1156 PolarHBondContact O-N 2.93Å; L1154-C1157 CarbonylContact O-C 3.37Å; L1154-C1157 PolarHBondContact O-N 3.49Å; L1154-C1157 VanDerWaalsContact O-N 3.09Å; L1154-S1158 PolarHBondContact O-N 3.13Å; L1154-V1169 HydrophobicContact CB-CG1 4.23Å; L1154-V1169 HydrophobicContact CD2-CB 4.48Å; L1154-V1169 HydrophobicContact CD2-CG1 4.23Å; L1154-V1169 HydrophobicContact CD2-CG2 4.2Å; L1154-V1169 VanDerWaalsContact O-CG1 3.32Å; L1154-V1169 WeakPolarHBondContact O-CG1 3.04Å; L1154-C1172 HydrophobicContact CD1-CB 3.73Å; L1154-C1172 HydrophobicContact CD2-CB 3.87Å; L1154-C1172 HydrophobicContact CG-CB 4.48Å; L1154-L1173 HydrophobicContact CB-CD2 3.81Å; L1154-L1173 HydrophobicContact CB-CG 4.15Å; L1154-L1173 HydrophobicContact CD1-CD2 4.12Å; L1154-L1173 HydrophobicContact CD1-CG 4.39Å; L1154-L1176 HydrophobicContact CD1-CD1 3.34Å |
| 1155 | L | 91.3 | Very high | 88.2 | Confident | 24 Ų | 24 | 39.9 Ų | 39.9 | 13% | 0.126 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 172.5 | -73.7 | -174.9 | 0 | 0 | 0 | 111.9 | W1151 S1152 C1157 S1158 L1173 Q1191 M1203 L1207 | W1151-L1155 WeakPolarHBondContact O-CG 3.42Å; W1151-L1155 PolarHBondContact O-N 3.49Å; S1152-L1155 PolarHBondContact O-N 3.35Å; L1155-C1157 PolarHBondContact O-N 3.26Å; L1155-S1158 WeakPolarHBondContact O-CB 3.34Å; L1155-S1158 PolarHBondContact O-N 3.45Å; L1155-S1158 VanDerWaalsContact O-N 3.09Å; L1155-S1158 PolarHBondContact O-OG 2.9Å; L1155-L1173 HydrophobicContact CD2-CD1 4.45Å; L1155-Q1191 HydrophobicContact CD1-CG 4.06Å; L1155-Q1191 HydrophobicContact CD2-CG 3.83Å; L1155-M1203 HydrophobicContact CD2-CE 4.27Å; L1155-L1207 HydrophobicContact CD2-CD2 3.92Å |
| 1156 | A | 87.7 | Confident | 88.5 | Confident | 44 Ų | 44 | 33.3 Ų | 33.3 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.2 | -27.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1087 S1152 L1153 L1154 | M1087-A1156 HydrophobicContact CE-CB 3.89Å; M1087-A1156 WeakPolarHBondContact CE-O 3.47Å; S1152-A1156 PolarHBondContact O-N 2.93Å; L1153-A1156 WeakPolarHBondContact O-CB 2.9Å; L1153-A1156 PolarHBondContact O-N 3.41Å; L1154-A1156 VanDerWaalsContact C-N 3.34Å; L1154-A1156 PolarHBondContact O-N 2.93Å |
| 1157 | C | 88.9 | Confident | 88.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -88.9 | -12.7 | 177.4 | -58.9 | 0 | 0 | 0 | 0 | 114.1 | V1083 I1124 L1153 L1154 L1155 G1159 L1160 V1169 | V1083-C1157 WeakPolarHBondContact CG2-SG 3.31Å; I1124-C1157 HydrophobicContact CD1-CB 4.43Å; L1153-C1157 PolarHBondContact O-N 3.49Å; L1153-C1157 PolarHBondContact O-SG 2.91Å; L1154-C1157 CarbonylContact O-C 3.37Å; L1154-C1157 PolarHBondContact O-N 3.49Å; L1154-C1157 VanDerWaalsContact O-N 3.09Å; L1155-C1157 PolarHBondContact O-N 3.26Å; C1157-G1159 PolarHBondContact O-N 2.98Å; C1157-L1160 HydrophobicContact CB-CD1 4Å; C1157-L1160 VanDerWaalsContact O-CG 3.29Å; C1157-L1160 WeakPolarHBondContact O-CG 3.44Å; C1157-L1160 PolarHBondContact O-N 3.29Å; C1157-V1169 HydrophobicContact CB-CG2 3.73Å |
| 1158 | S | 88.4 | Confident | 88.7 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -21.2 | -170.1 | 66.1 | 0 | 0 | 0 | 0 | 114.6 | L1154 L1155 L1202 M1203 T1206 | L1154-S1158 PolarHBondContact O-N 3.13Å; L1155-S1158 WeakPolarHBondContact O-CB 3.34Å; L1155-S1158 PolarHBondContact O-N 3.45Å; L1155-S1158 VanDerWaalsContact O-N 3.09Å; L1155-S1158 PolarHBondContact O-OG 2.9Å; S1158-L1202 CarbonylContact O-C 3.59Å; S1158-M1203 WeakPolarHBondContact O-CA 3.49Å; S1158-M1203 WeakPolarHBondContact OG-CE 3.26Å; S1158-M1203 WeakPolarHBondContact OG-CG 3.19Å; S1158-T1206 PolarHBondContact O-OG1 2.98Å |
| 1159 | G | 86.6 | Confident | 88.9 | Confident | 32 Ų | 32 | 30.4 Ų | 30.4 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 10.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | C1157 | C1157-G1159 PolarHBondContact O-N 2.98Š|
| 1160 | L | 86.7 | Confident | 89.1 | Confident | 23 Ų | 23 | 27.7 Ų | 27.7 | 12% | 0.12 | 17% | 0.173 | C | C | . | . | trans | -69.7 | 150.3 | -179.8 | -63.8 | 175.9 | 0 | 0 | 0 | 112.1 | L1120 C1157 E1162 T1165 R1166 L1202 | L1120-L1160 HydrophobicContact CD2-CD1 3.62Å; C1157-L1160 HydrophobicContact CB-CD1 4Å; C1157-L1160 VanDerWaalsContact O-CG 3.29Å; C1157-L1160 WeakPolarHBondContact O-CG 3.44Å; C1157-L1160 PolarHBondContact O-N 3.29Å; L1160-E1162 VanDerWaalsContact C-N 3.33Å; L1160-E1162 PolarHBondContact O-N 3.1Å; L1160-T1165 HydrophobicContact CD1-CG2 4.08Å; L1160-R1166 WeakPolarHBondContact O-CD 3.21Å; L1160-R1166 WeakPolarHBondContact O-CG 3.47Å; L1160-L1202 WeakPolarHBondContact O-CD1 3.36Å | ||
| 1161 | S | 80.6 | Confident | 89.2 | Confident | 88 Ų | 88 | 28.5 Ų | 28.5 | 62% | 0.615 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -67.3 | -28 | -174.1 | 53.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1162 | E | 84.3 | Confident | 89.2 | Confident | 72 Ų | 72 | 28.5 Ų | 28.5 | 34% | 0.336 | 18% | 0.177 | S | C | . | . | trans | -82.4 | 120.3 | -172.9 | -164.2 | -95.8 | 135.1 | 0 | 0 | 111.4 | L1160 G1164 T1165 R1166 | L1160-E1162 VanDerWaalsContact C-N 3.33Å; L1160-E1162 PolarHBondContact O-N 3.1Å; E1162-G1164 PolarHBondContact O-N 3.24Å; E1162-G1164 WeakPolarHBondContact OE1-CA 3.24Å; E1162-G1164 PolarHBondContact OE1-N 3.43Å; E1162-T1165 PolarHBondContact O-N 3.1Å; E1162-T1165 PolarHBondContact OE1-N 3.01Å; E1162-T1165 WeakPolarHBondContact OE2-CA 3.5Å; E1162-T1165 WeakPolarHBondContact OE2-CB 3.44Å; E1162-T1165 PolarHBondContact OE2-N 2.86Å; E1162-T1165 PolarHBondContact OE2-OG1 2.97Å; E1162-R1166 PolarHBondContact O-N 3.3Å | ||
| 1163 | E | 83.5 | Confident | 89.4 | Confident | 89 Ų | 89 | 25.5 Ų | 25.5 | 42% | 0.416 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.5 | -34.7 | -174 | -177.7 | 169.1 | -163.6 | 0 | 0 | 113.2 | R1166 N1167 R1288 | E1163-R1166 PolarHBondContact O-N 3.44Å; E1163-N1167 PolarHBondContact O-N 3.28Å; E1163-R1288 IonicContact OE1-CZ 2.76Å; E1163-R1288 IonicContact OE1-NH2 2.89Å; E1163-R1288 PolarHBondContact OE1-NH2 3.2Å |
| 1164 | G | 84.9 | Confident | 89.4 | Confident | 24 Ų | 24 | 24.7 Ų | 24.7 | 25% | 0.247 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.6 | -48.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1162 R1166 N1167 L1168 | E1162-G1164 PolarHBondContact O-N 3.24Å; E1162-G1164 WeakPolarHBondContact OE1-CA 3.24Å; E1162-G1164 PolarHBondContact OE1-N 3.43Å; G1164-R1166 PolarHBondContact O-N 3.49Å; G1164-N1167 PolarHBondContact O-N 3.07Å; G1164-L1168 WeakPolarHBondContact O-CG 3.39Å; G1164-L1168 PolarHBondContact O-N 2.77Å |
| 1165 | T | 87.5 | Confident | 89.3 | Confident | 6 Ų | 6 | 25.5 Ų | 25.5 | 4% | 0.037 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.4 | -44.1 | 173.7 | -65.7 | 0 | 0 | 0 | 0 | 111.5 | I1124 L1160 E1162 N1167 L1168 V1169 | I1124-T1165 HydrophobicContact CD1-CG2 3.68Å; L1160-T1165 HydrophobicContact CD1-CG2 4.08Å; E1162-T1165 PolarHBondContact O-N 3.1Å; E1162-T1165 PolarHBondContact OE1-N 3.01Å; E1162-T1165 WeakPolarHBondContact OE2-CA 3.5Å; E1162-T1165 WeakPolarHBondContact OE2-CB 3.44Å; E1162-T1165 PolarHBondContact OE2-N 2.86Å; E1162-T1165 PolarHBondContact OE2-OG1 2.97Å; T1165-N1167 VanDerWaalsContact C-N 3.35Å; T1165-N1167 PolarHBondContact O-N 3.17Å; T1165-L1168 WeakPolarHBondContact O-CB 3.27Å; T1165-L1168 PolarHBondContact O-N 3.32Å; T1165-V1169 HydrophobicContact CG2-CG2 4.15Å; T1165-V1169 VanDerWaalsContact O-CG2 3.26Å; T1165-V1169 WeakPolarHBondContact O-CG2 3.31Å; T1165-V1169 PolarHBondContact O-N 2.79Å |
| 1166 | R | 91.5 | Very high | 89.3 | Confident | 15 Ų | 15 | 24.4 Ų | 24.4 | 6% | 0.057 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.6 | -39.7 | 178 | -71.9 | -169.6 | -61.2 | 117.1 | 4 | 112.9 | L1160 E1162 E1163 G1164 V1169 S1170 T1206 | L1160-R1166 WeakPolarHBondContact O-CD 3.21Å; L1160-R1166 WeakPolarHBondContact O-CG 3.47Å; E1162-R1166 PolarHBondContact O-N 3.3Å; E1163-R1166 PolarHBondContact O-N 3.44Å; G1164-R1166 PolarHBondContact O-N 3.49Å; R1166-V1169 PolarHBondContact O-N 3.49Å; R1166-S1170 WeakPolarHBondContact O-CB 3.42Å; R1166-S1170 PolarHBondContact O-N 3.14Å; R1166-S1170 PolarHBondContact O-OG 3.49Å; R1166-S1170 VanDerWaalsContact O-OG 3.1Å; R1166-T1206 WeakPolarHBondContact CD-OG1 3.34Å |
| 1167 | N | 91 | Very high | 89.4 | Confident | 67 Ų | 67 | 22.3 Ų | 22.3 | 36% | 0.358 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 174.5 | -77.3 | -23.5 | 0 | 0 | 0 | 111.7 | E1163 G1164 T1165 S1170 E1171 | E1163-N1167 PolarHBondContact O-N 3.28Å; G1164-N1167 PolarHBondContact O-N 3.07Å; T1165-N1167 VanDerWaalsContact C-N 3.35Å; T1165-N1167 PolarHBondContact O-N 3.17Å; N1167-S1170 WeakPolarHBondContact CA-OG 3.32Å; N1167-S1170 PolarHBondContact O-N 2.86Å; N1167-S1170 PolarHBondContact O-OG 3.5Å; N1167-E1171 PolarHBondContact O-N 2.96Å |
| 1168 | L | 90.9 | Very high | 89.2 | Confident | 15 Ų | 15 | 22.4 Ų | 22.4 | 8% | 0.079 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 172.9 | -67.8 | 176.5 | 0 | 0 | 0 | 112.5 | Y1121 I1124 Q1125 G1164 T1165 E1171 C1172 | Y1121-L1168 HydrophobicContact CD2-CD1 3.71Å; Y1121-L1168 HydrophobicContact CE1-CD1 4.39Å; Y1121-L1168 HydrophobicContact CE2-CD1 3.35Å; Y1121-L1168 HydrophobicContact CE2-CG 4.28Å; Y1121-L1168 HydrophobicContact CG-CD1 4.36Å; I1124-L1168 HydrophobicContact CG2-CB 3.82Å; I1124-L1168 HydrophobicContact CG2-CD1 4.49Å; Q1125-L1168 HydrophobicContact CB-CD1 4.42Å; G1164-L1168 WeakPolarHBondContact O-CG 3.39Å; G1164-L1168 PolarHBondContact O-N 2.77Å; T1165-L1168 WeakPolarHBondContact O-CB 3.27Å; T1165-L1168 PolarHBondContact O-N 3.32Å; L1168-E1171 PolarHBondContact O-N 3.02Å; L1168-C1172 WeakPolarHBondContact O-CB 3.42Å; L1168-C1172 PolarHBondContact O-N 3.38Å; L1168-C1172 PolarHBondContact O-SG 2.68Å |
| 1169 | V | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 177.9 | 170 | 0 | 0 | 0 | 0 | 110.8 | I1124 L1154 C1157 T1165 R1166 C1172 L1173 T1206 | I1124-V1169 HydrophobicContact CD1-CG2 4.06Å; I1124-V1169 HydrophobicContact CG2-CG2 4.39Å; L1154-V1169 HydrophobicContact CB-CG1 4.23Å; L1154-V1169 HydrophobicContact CD2-CB 4.48Å; L1154-V1169 HydrophobicContact CD2-CG1 4.23Å; L1154-V1169 HydrophobicContact CD2-CG2 4.2Å; L1154-V1169 VanDerWaalsContact O-CG1 3.32Å; L1154-V1169 WeakPolarHBondContact O-CG1 3.04Å; C1157-V1169 HydrophobicContact CB-CG2 3.73Å; T1165-V1169 HydrophobicContact CG2-CG2 4.15Å; T1165-V1169 VanDerWaalsContact O-CG2 3.26Å; T1165-V1169 WeakPolarHBondContact O-CG2 3.31Å; T1165-V1169 PolarHBondContact O-N 2.79Å; R1166-V1169 PolarHBondContact O-N 3.49Å; V1169-C1172 PolarHBondContact O-N 3.35Å; V1169-L1173 HydrophobicContact CG1-CD1 4Å; V1169-L1173 HydrophobicContact CG1-CG 4.38Å; V1169-L1173 WeakPolarHBondContact O-CB 3.28Å; V1169-L1173 WeakPolarHBondContact O-CG 3.44Å; V1169-L1173 PolarHBondContact O-N 3.41Å; V1169-T1206 HydrophobicContact CB-CG2 4.36Å; V1169-T1206 HydrophobicContact CG1-CG2 4.01Å |
| 1170 | S | 94 | Very high | 89.1 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.6 | -38.9 | 176.3 | 57.1 | 0 | 0 | 0 | 0 | 112.7 | R1166 N1167 L1173 G1174 T1206 A1210 F1213 | R1166-S1170 WeakPolarHBondContact O-CB 3.42Å; R1166-S1170 PolarHBondContact O-N 3.14Å; R1166-S1170 PolarHBondContact O-OG 3.49Å; R1166-S1170 VanDerWaalsContact O-OG 3.1Å; N1167-S1170 WeakPolarHBondContact CA-OG 3.32Å; N1167-S1170 PolarHBondContact O-N 2.86Å; N1167-S1170 PolarHBondContact O-OG 3.5Å; S1170-L1173 PolarHBondContact O-N 3.07Å; S1170-G1174 PolarHBondContact O-N 3.16Å; S1170-T1206 VanDerWaalsContact CB-O 3.29Å; S1170-T1206 WeakPolarHBondContact CB-O 3.32Å; S1170-A1210 WeakPolarHBondContact O-CA 3.02Å; S1170-F1213 WeakPolarHBondContact OG-CE2 3.43Å |
| 1171 | E | 93.1 | Very high | 89.2 | Confident | 19 Ų | 19 | 23.5 Ų | 23.5 | 9% | 0.089 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 171.8 | -173.9 | 178.1 | 171.1 | 0 | 0 | 111.3 | R1128 N1167 L1168 G1174 R1175 F1213 | R1128-E1171 IonicContact CZ-OE1 2.9Å; R1128-E1171 IonicContact CZ-OE2 3.76Å; R1128-E1171 IonicContact NE-OE1 3.93Å; R1128-E1171 PolarHBondContact NE-OE1 3.34Å; R1128-E1171 IonicContact NE-OE2 3.78Å; R1128-E1171 PolarHBondContact NE-OE2 2.86Å; R1128-E1171 IonicContact NH2-OE1 3.72Å; R1128-E1171 PolarHBondContact NH2-OE1 3.45Å; R1128-E1171 IonicContact NH2-OE2 3.84Å; R1128-E1171 PolarHBondContact NH2-OE2 3.31Å; N1167-E1171 PolarHBondContact O-N 2.96Å; L1168-E1171 PolarHBondContact O-N 3.02Å; E1171-G1174 PolarHBondContact O-N 2.81Å; E1171-R1175 HydrophobicContact CG-CG 4.46Å; E1171-R1175 WeakPolarHBondContact O-CB 3.49Å; E1171-R1175 WeakPolarHBondContact O-CG 3.5Å; E1171-R1175 PolarHBondContact O-N 3.38Å; E1171-R1175 IonicContact OE1-CZ 3.45Å; E1171-R1175 IonicContact OE1-NE 3.44Å; E1171-R1175 PolarHBondContact OE1-NE 3.08Å; E1171-R1175 IonicContact OE1-NH2 2.69Å; E1171-R1175 PolarHBondContact OE1-NH2 3.09Å; E1171-F1213 VanDerWaalsContact CA-CD2 3.49Å; E1171-F1213 HydrophobicContact CB-CD1 3.95Å; E1171-F1213 HydrophobicContact CB-CD2 3.93Å; E1171-F1213 HydrophobicContact CB-CE1 3.99Å; E1171-F1213 HydrophobicContact CB-CE2 3.95Å; E1171-F1213 HydrophobicContact CB-CG 3.91Å; E1171-F1213 HydrophobicContact CB-CZ 3.98Å; E1171-F1213 HydrophobicContact CG-CD1 3.8Å; E1171-F1213 HydrophobicContact CG-CE1 4.03Å; E1171-F1213 HydrophobicContact CG-CG 4.11Å |
| 1172 | C | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 177.6 | -67.7 | 0 | 0 | 0 | 0 | 112 | L1131 L1154 L1168 V1169 R1175 L1176 | L1131-C1172 HydrophobicContact CD1-CB 3.56Å; L1154-C1172 HydrophobicContact CD1-CB 3.73Å; L1154-C1172 HydrophobicContact CD2-CB 3.87Å; L1154-C1172 HydrophobicContact CG-CB 4.48Å; L1168-C1172 WeakPolarHBondContact O-CB 3.42Å; L1168-C1172 PolarHBondContact O-N 3.38Å; L1168-C1172 PolarHBondContact O-SG 2.68Å; V1169-C1172 PolarHBondContact O-N 3.35Å; C1172-R1175 PolarHBondContact O-N 3.16Å; C1172-L1176 WeakPolarHBondContact O-CB 3.26Å; C1172-L1176 WeakPolarHBondContact O-CG 3.22Å; C1172-L1176 PolarHBondContact O-N 3Å |
| 1173 | L | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 175.1 | -73.5 | 172.4 | 0 | 0 | 0 | 111.4 | W1151 L1154 L1155 V1169 S1170 L1176 T1177 L1207 A1210 | W1151-L1173 HydrophobicContact CD2-CD2 4.19Å; W1151-L1173 HydrophobicContact CE3-CD2 4.06Å; W1151-L1173 HydrophobicContact CH2-CD2 4.32Å; W1151-L1173 HydrophobicContact CZ2-CD2 4.41Å; W1151-L1173 HydrophobicContact CZ3-CD2 4.12Å; L1154-L1173 HydrophobicContact CB-CD2 3.81Å; L1154-L1173 HydrophobicContact CB-CG 4.15Å; L1154-L1173 HydrophobicContact CD1-CD2 4.12Å; L1154-L1173 HydrophobicContact CD1-CG 4.39Å; L1155-L1173 HydrophobicContact CD2-CD1 4.45Å; V1169-L1173 HydrophobicContact CG1-CD1 4Å; V1169-L1173 HydrophobicContact CG1-CG 4.38Å; V1169-L1173 WeakPolarHBondContact O-CB 3.28Å; V1169-L1173 WeakPolarHBondContact O-CG 3.44Å; V1169-L1173 PolarHBondContact O-N 3.41Å; S1170-L1173 PolarHBondContact O-N 3.07Å; L1173-L1176 PolarHBondContact O-N 3.12Å; L1173-T1177 PolarHBondContact O-N 3.25Å; L1173-T1177 VanDerWaalsContact O-N 3.1Å; L1173-T1177 PolarHBondContact O-OG1 3.47Å; L1173-L1207 HydrophobicContact CD1-CD2 4.27Å; L1173-A1210 HydrophobicContact CB-CB 4.02Å |
| 1174 | G | 92 | Very high | 90.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.6 | -44.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1170 E1171 T1177 | S1170-G1174 PolarHBondContact O-N 3.16Å; E1171-G1174 PolarHBondContact O-N 2.81Å; G1174-T1177 WeakPolarHBondContact O-CB 3.31Å; G1174-T1177 PolarHBondContact O-N 2.91Å |
| 1175 | R | 90 | Very high | 90.4 | Very high | 17 Ų | 17 | 19 Ų | 19 | 6% | 0.064 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.7 | -41.7 | 175.6 | -72 | -175.9 | -176.6 | -80.5 | -3.9 | 113 | L1131 A1135 E1171 C1172 T1177 L1178 V1217 | L1131-R1175 HydrophobicContact CB-CB 4.16Å; A1135-R1175 HydrophobicContact CB-CB 4.3Å; E1171-R1175 HydrophobicContact CG-CG 4.46Å; E1171-R1175 WeakPolarHBondContact O-CB 3.49Å; E1171-R1175 WeakPolarHBondContact O-CG 3.5Å; E1171-R1175 PolarHBondContact O-N 3.38Å; E1171-R1175 IonicContact OE1-CZ 3.45Å; E1171-R1175 IonicContact OE1-NE 3.44Å; E1171-R1175 PolarHBondContact OE1-NE 3.08Å; E1171-R1175 IonicContact OE1-NH2 2.69Å; E1171-R1175 PolarHBondContact OE1-NH2 3.09Å; C1172-R1175 PolarHBondContact O-N 3.16Å; R1175-T1177 PolarHBondContact O-N 3.21Å; R1175-L1178 VanDerWaalsContact O-CB 3.22Å; R1175-L1178 WeakPolarHBondContact O-CB 3.5Å; R1175-L1178 VanDerWaalsContact O-CG 3.26Å; R1175-L1178 WeakPolarHBondContact O-CG 3.45Å; R1175-L1178 PolarHBondContact O-N 2.96Å; R1175-L1178 VanDerWaalsContact O-N 3.07Å; R1175-V1217 HydrophobicContact CG-CG1 4.24Å; R1175-V1217 HydrophobicContact CG-CG2 3.86Å; R1175-V1217 VanDerWaalsContact NH1-CG1 3.29Å |
| 1176 | L | 90.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.8 | -30.7 | 177.6 | -84.3 | 170.9 | 0 | 0 | 0 | 112.4 | L1131 M1150 W1151 L1154 C1172 L1173 L1178 V1179 L1184 | L1131-L1176 HydrophobicContact CD1-CD1 4.29Å; L1131-L1176 HydrophobicContact CD1-CG 3.91Å; L1131-L1176 HydrophobicContact CD2-CD2 3.5Å; L1131-L1176 VanDerWaalsContact CD2-CD2 3.5Å; L1131-L1176 HydrophobicContact CD2-CG 3.79Å; M1150-L1176 HydrophobicContact CB-CD1 4.15Å; M1150-L1176 HydrophobicContact CE-CD2 3.86Å; M1150-L1176 HydrophobicContact SD-CD2 4.46Å; W1151-L1176 HydrophobicContact CE3-CB 4.3Å; W1151-L1176 HydrophobicContact CE3-CD1 4.5Å; W1151-L1176 HydrophobicContact CZ3-CB 4.19Å; L1154-L1176 HydrophobicContact CD1-CD1 3.34Å; C1172-L1176 WeakPolarHBondContact O-CB 3.26Å; C1172-L1176 WeakPolarHBondContact O-CG 3.22Å; C1172-L1176 PolarHBondContact O-N 3Å; L1173-L1176 PolarHBondContact O-N 3.12Å; L1176-L1178 PolarHBondContact O-N 3.04Å; L1176-L1178 VanDerWaalsContact O-N 3.13Å; L1176-V1179 WeakPolarHBondContact O-CB 3.39Å; L1176-V1179 WeakPolarHBondContact O-CG2 3.35Å; L1176-V1179 PolarHBondContact O-N 3.15Å; L1176-L1184 WeakPolarHBondContact O-CD1 3.43Å |
| 1177 | T | 90.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -59.2 | -23.5 | 176.5 | -56 | 0 | 0 | 0 | 0 | 112.2 | L1173 G1174 R1175 V1179 D1180 P1181 L1184 V1185 I1214 | L1173-T1177 PolarHBondContact O-N 3.25Å; L1173-T1177 VanDerWaalsContact O-N 3.1Å; L1173-T1177 PolarHBondContact O-OG1 3.47Å; G1174-T1177 WeakPolarHBondContact O-CB 3.31Å; G1174-T1177 PolarHBondContact O-N 2.91Å; R1175-T1177 PolarHBondContact O-N 3.21Å; T1177-V1179 PolarHBondContact O-N 3.43Å; T1177-D1180 CarbonylContact O-C 3.57Å; T1177-P1181 WeakPolarHBondContact O-CA 3.34Å; T1177-P1181 VanDerWaalsContact O-N 3.13Å; T1177-L1184 HydrophobicContact CG2-CB 3.97Å; T1177-V1185 HydrophobicContact CG2-CG2 3.54Å; T1177-I1214 HydrophobicContact CG2-CD1 3.78Å; T1177-I1214 HydrophobicContact CG2-CG1 4.22Å |
| 1178 | L | 85.6 | Confident | 90.7 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -69.7 | -17.6 | 176.4 | -53.3 | 178.7 | 0 | 0 | 0 | 113.5 | A1135 R1175 L1176 V1217 T1218 L1256 I1260 | A1135-L1178 WeakPolarHBondContact O-CB 3.25Å; A1135-L1178 VanDerWaalsContact O-CD1 3.31Å; A1135-L1178 WeakPolarHBondContact O-CD1 3.49Å; R1175-L1178 VanDerWaalsContact O-CB 3.22Å; R1175-L1178 WeakPolarHBondContact O-CB 3.5Å; R1175-L1178 VanDerWaalsContact O-CG 3.26Å; R1175-L1178 WeakPolarHBondContact O-CG 3.45Å; R1175-L1178 PolarHBondContact O-N 2.96Å; R1175-L1178 VanDerWaalsContact O-N 3.07Å; L1176-L1178 PolarHBondContact O-N 3.04Å; L1176-L1178 VanDerWaalsContact O-N 3.13Å; L1178-V1217 HydrophobicContact CD1-CB 4.32Å; L1178-V1217 HydrophobicContact CD1-CG1 3.51Å; L1178-T1218 HydrophobicContact CD2-CG2 3.71Å; L1178-L1256 HydrophobicContact CB-CD2 4.34Å; L1178-L1256 HydrophobicContact CD2-CD2 4.39Å; L1178-L1256 VanDerWaalsContact O-CD1 3.25Å; L1178-L1256 WeakPolarHBondContact O-CD1 3.45Å; L1178-I1260 HydrophobicContact CD2-CD1 3.32Å; L1178-I1260 HydrophobicContact CD2-CG1 4.46Å |
| 1179 | V | 86.2 | Confident | 90.7 | Very high | 12 Ų | 12 | 22.5 Ų | 22.5 | 7% | 0.073 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -71.9 | -38.8 | 180 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | P1139 K1144 L1147 L1176 T1177 | P1139-V1179 HydrophobicContact CB-CB 4.33Å; P1139-V1179 HydrophobicContact CB-CG1 4.07Å; P1139-V1179 HydrophobicContact CB-CG2 4.1Å; P1139-V1179 HydrophobicContact CG-CG1 4.45Å; K1144-V1179 HydrophobicContact CG-CG1 3.61Å; L1147-V1179 HydrophobicContact CD1-CB 3.84Å; L1147-V1179 HydrophobicContact CD1-CG1 3.64Å; L1147-V1179 HydrophobicContact CD1-CG2 4.48Å; L1176-V1179 WeakPolarHBondContact O-CB 3.39Å; L1176-V1179 WeakPolarHBondContact O-CG2 3.35Å; L1176-V1179 PolarHBondContact O-N 3.15Å; T1177-V1179 PolarHBondContact O-N 3.43Å |
| 1180 | D | 86.5 | Confident | 90.5 | Very high | 60 Ų | 60 | 28.7 Ų | 28.7 | 32% | 0.321 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -150.2 | 83.5 | 174.4 | -171 | -24.5 | 0 | 0 | 0 | 109.5 | T1177 P1182 Q1183 L1184 | T1177-D1180 CarbonylContact O-C 3.57Å; D1180-P1182 VanDerWaalsContact OD1-CD 3.29Å; D1180-P1182 WeakPolarHBondContact OD1-CD 3.37Å; D1180-P1182 WeakPolarHBondContact OD1-CG 3.29Å; D1180-Q1183 HydrophobicContact CB-CB 4.36Å; D1180-Q1183 PolarHBondContact O-N 3.44Å; D1180-Q1183 PolarHBondContact OD1-N 3.19Å; D1180-Q1183 PolarHBondContact OD2-OE1 2.92Å; D1180-L1184 HydrophobicContact CB-CD1 4.1Å; D1180-L1184 HydrophobicContact CB-CG 4.32Å; D1180-L1184 VanDerWaalsContact O-CB 3.27Å; D1180-L1184 WeakPolarHBondContact O-CB 3.37Å; D1180-L1184 WeakPolarHBondContact O-CD1 3.4Å; D1180-L1184 WeakPolarHBondContact O-CG 3.26Å; D1180-L1184 PolarHBondContact O-N 3.31Å |
| 1181 | P | 88 | Confident | 90.5 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 5% | 0.045 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -54.4 | -51.7 | -175.3 | -25.5 | 33.1 | 0 | 0 | 0 | 115.8 | T1177 Q1183 L1184 V1185 L1256 D1259 I1260 | T1177-P1181 WeakPolarHBondContact O-CA 3.34Å; T1177-P1181 VanDerWaalsContact O-N 3.13Å; P1181-Q1183 PolarHBondContact O-N 3.34Å; P1181-L1184 PolarHBondContact O-N 3.18Å; P1181-V1185 WeakPolarHBondContact O-CB 3.24Å; P1181-V1185 VanDerWaalsContact O-CG2 3.25Å; P1181-V1185 WeakPolarHBondContact O-CG2 3.14Å; P1181-V1185 PolarHBondContact O-N 3.31Å; P1181-L1256 HydrophobicContact CG-CD1 3.53Å; P1181-D1259 HydrophobicContact CB-CB 4.32Å; P1181-D1259 HydrophobicContact CG-CB 4.24Å; P1181-I1260 HydrophobicContact CB-CB 4.39Å; P1181-I1260 HydrophobicContact CB-CG1 3.55Å; P1181-I1260 HydrophobicContact CG-CD1 4.37Å; P1181-I1260 HydrophobicContact CG-CG1 3.6Å |
| 1182 | P | 86.4 | Confident | 90.4 | Very high | 73 Ų | 73 | 29.3 Ų | 29.3 | 47% | 0.474 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -63.6 | -40.3 | -175.6 | 23.3 | -32.2 | 0 | 0 | 0 | 112.4 | D1180 S1186 A1263 | D1180-P1182 VanDerWaalsContact OD1-CD 3.29Å; D1180-P1182 WeakPolarHBondContact OD1-CD 3.37Å; D1180-P1182 WeakPolarHBondContact OD1-CG 3.29Å; P1182-S1186 WeakPolarHBondContact O-CB 3.34Å; P1182-A1263 HydrophobicContact CB-CB 4.49Å |
| 1183 | Q | 89.2 | Confident | 90.2 | Very high | 105 Ų | 105 | 33 Ų | 33 | 49% | 0.491 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.5 | -44 | 178.7 | -167.3 | -170.6 | 14.7 | 0 | 0 | 111.7 | D1180 P1181 R1187 | D1180-Q1183 HydrophobicContact CB-CB 4.36Å; D1180-Q1183 PolarHBondContact O-N 3.44Å; D1180-Q1183 PolarHBondContact OD1-N 3.19Å; D1180-Q1183 PolarHBondContact OD2-OE1 2.92Å; P1181-Q1183 PolarHBondContact O-N 3.34Å; Q1183-R1187 WeakPolarHBondContact O-CB 3.28Å; Q1183-R1187 PolarHBondContact O-N 3.37Å |
| 1184 | L | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -83.5 | -31.3 | -168 | -61.5 | 170.3 | 0 | 0 | 0 | 113.3 | L1147 W1151 L1176 T1177 D1180 P1181 S1186 R1187 L1188 | L1147-L1184 HydrophobicContact CD1-CD1 3.9Å; L1147-L1184 HydrophobicContact CD2-CD2 3.84Å; W1151-L1184 HydrophobicContact CD2-CD2 4.35Å; W1151-L1184 HydrophobicContact CE3-CD2 3.96Å; W1151-L1184 HydrophobicContact CH2-CB 4Å; W1151-L1184 HydrophobicContact CH2-CD2 4.21Å; W1151-L1184 HydrophobicContact CZ3-CB 4.1Å; W1151-L1184 HydrophobicContact CZ3-CD1 4.41Å; W1151-L1184 HydrophobicContact CZ3-CD2 3.89Å; W1151-L1184 HydrophobicContact CZ3-CG 4.34Å; L1176-L1184 WeakPolarHBondContact O-CD1 3.43Å; T1177-L1184 HydrophobicContact CG2-CB 3.97Å; D1180-L1184 HydrophobicContact CB-CD1 4.1Å; D1180-L1184 HydrophobicContact CB-CG 4.32Å; D1180-L1184 VanDerWaalsContact O-CB 3.27Å; D1180-L1184 WeakPolarHBondContact O-CB 3.37Å; D1180-L1184 WeakPolarHBondContact O-CD1 3.4Å; D1180-L1184 WeakPolarHBondContact O-CG 3.26Å; D1180-L1184 PolarHBondContact O-N 3.31Å; P1181-L1184 PolarHBondContact O-N 3.18Å; L1184-S1186 VanDerWaalsContact C-N 3.34Å; L1184-R1187 PolarHBondContact O-N 3.24Å; L1184-L1188 PolarHBondContact O-N 3.09Å |
| 1185 | V | 91.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 169 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | T1177 P1181 R1187 L1188 R1189 A1263 L1264 A1271 | T1177-V1185 HydrophobicContact CG2-CG2 3.54Å; P1181-V1185 WeakPolarHBondContact O-CB 3.24Å; P1181-V1185 VanDerWaalsContact O-CG2 3.25Å; P1181-V1185 WeakPolarHBondContact O-CG2 3.14Å; P1181-V1185 PolarHBondContact O-N 3.31Å; V1185-R1187 VanDerWaalsContact C-N 3.3Å; V1185-R1187 PolarHBondContact O-N 3.08Å; V1185-L1188 PolarHBondContact O-N 3.46Å; V1185-R1189 PolarHBondContact O-N 3.17Å; V1185-A1263 HydrophobicContact CB-CB 3.96Å; V1185-A1263 HydrophobicContact CG1-CB 4.29Å; V1185-A1263 HydrophobicContact CG2-CB 3.93Å; V1185-L1264 HydrophobicContact CG1-CD2 3.86Å; V1185-L1264 HydrophobicContact CG1-CG 4.48Å; V1185-L1264 HydrophobicContact CG2-CD2 4.49Å; V1185-A1271 HydrophobicContact CG1-CB 4.43Å |
| 1186 | S | 89.9 | Confident | 89.7 | Confident | 53 Ų | 53 | 43.5 Ų | 43.5 | 37% | 0.371 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.2 | -41.5 | 174.8 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | P1182 L1184 R1189 Q1190 | P1182-S1186 WeakPolarHBondContact O-CB 3.34Å; L1184-S1186 VanDerWaalsContact C-N 3.34Å; S1186-R1189 WeakPolarHBondContact O-CB 3.42Å; S1186-R1189 PolarHBondContact O-N 2.96Å; S1186-Q1190 WeakPolarHBondContact O-CG 3.48Å; S1186-Q1190 PolarHBondContact O-N 3.14Å |
| 1187 | R | 91.9 | Very high | 89.5 | Confident | 67 Ų | 67 | 43.5 Ų | 43.5 | 25% | 0.253 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.9 | -40.8 | 176.5 | -164.5 | 172.5 | -175.3 | 170.2 | -0.6 | 113.1 | D1148 W1151 Q1183 L1184 V1185 R1189 Q1190 Q1191 | D1148-R1187 IonicContact OD1-CZ 3.72Å; D1148-R1187 IonicContact OD1-NH1 3.63Å; D1148-R1187 PolarHBondContact OD1-NH1 3.2Å; D1148-R1187 IonicContact OD1-NH2 2.71Å; D1148-R1187 PolarHBondContact OD1-NH2 3.45Å; W1151-R1187 VanDerWaalsContact CD1-NE 3.32Å; W1151-R1187 HydrophobicContact CZ2-CB 4.16Å; W1151-R1187 HydrophobicContact CZ2-CG 4.13Å; Q1183-R1187 WeakPolarHBondContact O-CB 3.28Å; Q1183-R1187 PolarHBondContact O-N 3.37Å; L1184-R1187 PolarHBondContact O-N 3.24Å; V1185-R1187 VanDerWaalsContact C-N 3.3Å; V1185-R1187 PolarHBondContact O-N 3.08Å; R1187-R1189 VanDerWaalsContact C-N 3.32Å; R1187-R1189 PolarHBondContact O-N 3.27Å; R1187-Q1190 PolarHBondContact O-N 3.48Å; R1187-Q1191 WeakPolarHBondContact O-CB 3.43Å; R1187-Q1191 PolarHBondContact O-N 3.33Å |
| 1188 | L | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 173 | -77.9 | 171.4 | 0 | 0 | 0 | 111.5 | W1151 L1184 V1185 Q1191 L1192 L1207 I1214 F1275 | W1151-L1188 HydrophobicContact CH2-CD1 4.19Å; W1151-L1188 HydrophobicContact CH2-CD2 3.83Å; W1151-L1188 HydrophobicContact CH2-CG 3.63Å; W1151-L1188 HydrophobicContact CZ2-CD2 3.73Å; W1151-L1188 HydrophobicContact CZ2-CG 3.74Å; L1184-L1188 PolarHBondContact O-N 3.09Å; V1185-L1188 PolarHBondContact O-N 3.46Å; L1188-Q1191 PolarHBondContact O-N 2.91Å; L1188-L1192 PolarHBondContact O-N 3.43Å; L1188-L1207 HydrophobicContact CD2-CD2 3.85Å; L1188-I1214 HydrophobicContact CD1-CD1 3.85Å; L1188-F1275 HydrophobicContact CB-CE1 4.22Å; L1188-F1275 HydrophobicContact CB-CZ 3.91Å |
| 1189 | R | 91.3 | Very high | 89.4 | Confident | 55 Ų | 55 | 52 Ų | 52 | 21% | 0.208 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 177.4 | -176.5 | -171.8 | -179.1 | 165.1 | 11.8 | 111.3 | V1185 S1186 R1187 Q1191 L1192 N1193 P1269 D1274 F1275 | V1185-R1189 PolarHBondContact O-N 3.17Å; S1186-R1189 WeakPolarHBondContact O-CB 3.42Å; S1186-R1189 PolarHBondContact O-N 2.96Å; R1187-R1189 VanDerWaalsContact C-N 3.32Å; R1187-R1189 PolarHBondContact O-N 3.27Å; R1189-Q1191 VanDerWaalsContact C-N 3.3Å; R1189-Q1191 PolarHBondContact O-N 3.09Å; R1189-L1192 PolarHBondContact O-N 3.05Å; R1189-N1193 PolarHBondContact O-N 3.43Å; R1189-N1193 PolarHBondContact O-ND2 3.35Å; R1189-P1269 PolarHBondContact NH2-O 2.87Å; R1189-D1274 HydrophobicContact CG-CB 4.36Å; R1189-D1274 WeakPolarHBondContact CG-OD2 3.42Å; R1189-D1274 IonicContact CZ-OD2 2.7Å; R1189-D1274 VanDerWaalsContact CZ-OD2 3.31Å; R1189-D1274 IonicContact NE-OD2 3.61Å; R1189-D1274 PolarHBondContact NE-OD2 3.08Å; R1189-D1274 IonicContact NH2-OD1 3.35Å; R1189-D1274 PolarHBondContact NH2-OD1 3.39Å; R1189-D1274 IonicContact NH2-OD2 3.76Å; R1189-D1274 PolarHBondContact NH2-OD2 2.86Å; R1189-D1274 VanDerWaalsContact NH2-OD2 3.07Å; R1189-F1275 HydrophobicContact CB-CE2 4.28Å; R1189-F1275 HydrophobicContact CB-CZ 4.14Å |
| 1190 | Q | 91.3 | Very high | 89.7 | Confident | 131 Ų | 131 | 52.9 Ų | 52.9 | 61% | 0.612 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59.6 | -42.2 | 176.4 | -72.4 | 174.6 | 5.2 | 0 | 0 | 111.5 | S1186 R1187 N1193 S1194 | S1186-Q1190 WeakPolarHBondContact O-CG 3.48Å; S1186-Q1190 PolarHBondContact O-N 3.14Å; R1187-Q1190 PolarHBondContact O-N 3.48Å; Q1190-N1193 CarbonylContact O-C 3.59Å; Q1190-N1193 PolarHBondContact O-N 2.96Å; Q1190-S1194 PolarHBondContact O-N 3.33Å; Q1190-S1194 VanDerWaalsContact O-N 3.17Å |
| 1191 | Q | 92.8 | Very high | 90 | Very high | 31 Ų | 31 | 52.2 Ų | 52.2 | 15% | 0.145 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69 | -37.1 | 179.6 | -165.6 | 63.8 | 30.7 | 0 | 0 | 112.7 | L1155 R1187 L1188 R1189 N1193 S1194 E1196 A1197 M1203 L1207 | L1155-Q1191 HydrophobicContact CD1-CG 4.06Å; L1155-Q1191 HydrophobicContact CD2-CG 3.83Å; R1187-Q1191 WeakPolarHBondContact O-CB 3.43Å; R1187-Q1191 PolarHBondContact O-N 3.33Å; L1188-Q1191 PolarHBondContact O-N 2.91Å; R1189-Q1191 VanDerWaalsContact C-N 3.3Å; R1189-Q1191 PolarHBondContact O-N 3.09Å; Q1191-N1193 PolarHBondContact O-N 2.74Å; Q1191-S1194 PolarHBondContact NE2-OG 3.47Å; Q1191-S1194 WeakPolarHBondContact O-CB 3Å; Q1191-S1194 PolarHBondContact O-N 3.46Å; Q1191-S1194 VanDerWaalsContact O-N 3.12Å; Q1191-S1194 PolarHBondContact O-OG 3.08Å; Q1191-E1196 PolarHBondContact NE2-OE2 3.25Å; Q1191-A1197 WeakPolarHBondContact O-CB 3.17Å; Q1191-M1203 HydrophobicContact CG-CE 3.71Å; Q1191-L1207 HydrophobicContact CB-CD1 4.24Å; Q1191-L1207 HydrophobicContact CG-CD1 3.92Å; Q1191-L1207 HydrophobicContact CG-CD2 4.38Å |
| 1192 | L | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.9 | -31 | 175.3 | -178.6 | 65.4 | 0 | 0 | 0 | 112.2 | L1188 R1189 R1204 L1207 V1208 D1274 F1275 R1278 | L1188-L1192 PolarHBondContact O-N 3.43Å; R1189-L1192 PolarHBondContact O-N 3.05Å; L1192-R1204 HydrophobicContact CD1-CB 4.28Å; L1192-R1204 HydrophobicContact CD1-CG 4.31Å; L1192-L1207 HydrophobicContact CB-CD1 4.38Å; L1192-L1207 HydrophobicContact CD1-CB 4.28Å; L1192-L1207 HydrophobicContact CD1-CD1 4.47Å; L1192-V1208 HydrophobicContact CD1-CG2 4.08Å; L1192-V1208 HydrophobicContact CD2-CG2 4.43Å; L1192-D1274 WeakPolarHBondContact CD2-O 3.32Å; L1192-F1275 HydrophobicContact CB-CE1 4.46Å; L1192-F1275 HydrophobicContact CD2-CD1 3.57Å; L1192-F1275 HydrophobicContact CD2-CE1 3.94Å; L1192-F1275 HydrophobicContact CD2-CG 4.12Å; L1192-R1278 HydrophobicContact CD2-CG 4.2Å |
| 1193 | N | 89.6 | Confident | 90.5 | Very high | 79 Ų | 79 | 51.5 Ų | 51.5 | 42% | 0.422 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 7 | 178.5 | -67.5 | -33.4 | 0 | 0 | 0 | 113.3 | R1189 Q1190 Q1191 D1274 R1278 | R1189-N1193 PolarHBondContact O-N 3.43Å; R1189-N1193 PolarHBondContact O-ND2 3.35Å; Q1190-N1193 CarbonylContact O-C 3.59Å; Q1190-N1193 PolarHBondContact O-N 2.96Å; Q1191-N1193 PolarHBondContact O-N 2.74Å; N1193-D1274 PolarHBondContact ND2-OD2 3.05Å; N1193-D1274 VanDerWaalsContact ND2-OD2 3.15Å; N1193-R1278 PolarHBondContact OD1-NH2 3.29Å |
| 1194 | S | 90.7 | Very high | 90.8 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -76 | 156 | -179.4 | 84.9 | 0 | 0 | 0 | 0 | 111.7 | Q1190 Q1191 E1196 A1197 S1198 | Q1190-S1194 PolarHBondContact O-N 3.33Å; Q1190-S1194 VanDerWaalsContact O-N 3.17Å; Q1191-S1194 PolarHBondContact NE2-OG 3.47Å; Q1191-S1194 WeakPolarHBondContact O-CB 3Å; Q1191-S1194 PolarHBondContact O-N 3.46Å; Q1191-S1194 VanDerWaalsContact O-N 3.12Å; Q1191-S1194 PolarHBondContact O-OG 3.08Å; S1194-E1196 PolarHBondContact O-N 3.01Å; S1194-E1196 PolarHBondContact OG-N 2.98Å; S1194-A1197 PolarHBondContact O-N 3.26Å; S1194-A1197 PolarHBondContact OG-N 3.2Å; S1194-S1198 PolarHBondContact O-N 3.32Å; S1194-S1198 PolarHBondContact O-OG 3.34Å |
| 1195 | P | 87.3 | Confident | 90.9 | Very high | 109 Ų | 109 | 48.1 Ų | 48.1 | 71% | 0.708 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60.7 | -31 | 173.4 | 24 | -33.7 | 0 | 0 | 0 | 112.2 | S1198 S1199 | P1195-S1198 WeakPolarHBondContact O-CB 3.39Å; P1195-S1198 PolarHBondContact O-N 3.25Å; P1195-S1199 PolarHBondContact O-N 3.26Å; P1195-S1199 VanDerWaalsContact O-N 3.11Å |
| 1196 | E | 85.9 | Confident | 91 | Very high | 114 Ų | 114 | 48.1 Ų | 48.1 | 53% | 0.533 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.4 | -49.2 | 177.6 | -59.3 | 154.9 | 170.7 | 0 | 0 | 110.7 | Q1191 S1194 S1198 S1199 S1200 M1203 | Q1191-E1196 PolarHBondContact NE2-OE2 3.25Å; S1194-E1196 PolarHBondContact O-N 3.01Å; S1194-E1196 PolarHBondContact OG-N 2.98Å; E1196-S1198 VanDerWaalsContact C-N 3.28Å; E1196-S1198 PolarHBondContact O-N 2.62Å; E1196-S1199 PolarHBondContact O-N 3.1Å; E1196-S1199 VanDerWaalsContact O-N 3.13Å; E1196-S1199 PolarHBondContact O-OG 3.31Å; E1196-S1200 PolarHBondContact O-N 2.97Å; E1196-M1203 HydrophobicContact CB-SD 4.43Å |
| 1197 | A | 87.4 | Confident | 91.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -37.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1191 S1194 S1199 S1200 M1203 R1204 L1207 | Q1191-A1197 WeakPolarHBondContact O-CB 3.17Å; S1194-A1197 PolarHBondContact O-N 3.26Å; S1194-A1197 PolarHBondContact OG-N 3.2Å; A1197-S1199 PolarHBondContact O-N 3.12Å; A1197-S1200 CarbonylContact O-C 3.56Å; A1197-S1200 PolarHBondContact O-N 3.16Å; A1197-S1200 VanDerWaalsContact O-N 3.1Å; A1197-S1200 VanDerWaalsContact O-O 3.05Å; A1197-M1203 HydrophobicContact CB-CG 4.31Å; A1197-M1203 HydrophobicContact CB-SD 4.3Å; A1197-R1204 HydrophobicContact CB-CG 4.04Å; A1197-R1204 VanDerWaalsContact O-CD 3.25Å; A1197-R1204 WeakPolarHBondContact O-CD 3.39Å; A1197-R1204 WeakPolarHBondContact O-CG 3.46Å; A1197-L1207 HydrophobicContact CB-CD1 4.4Å |
| 1198 | S | 86.6 | Confident | 91.4 | Very high | 78 Ų | 78 | 42.4 Ų | 42.4 | 55% | 0.545 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.6 | -32.2 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 112.7 | S1194 P1195 E1196 | S1194-S1198 PolarHBondContact O-N 3.32Å; S1194-S1198 PolarHBondContact O-OG 3.34Å; P1195-S1198 WeakPolarHBondContact O-CB 3.39Å; P1195-S1198 PolarHBondContact O-N 3.25Å; E1196-S1198 VanDerWaalsContact C-N 3.28Å; E1196-S1198 PolarHBondContact O-N 2.62Å |
| 1199 | S | 87.4 | Confident | 91.4 | Very high | 103 Ų | 103 | 43.3 Ų | 43.3 | 72% | 0.72 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -83.5 | -16.5 | 176.6 | 73 | 0 | 0 | 0 | 0 | 114.5 | P1195 E1196 A1197 | P1195-S1199 PolarHBondContact O-N 3.26Å; P1195-S1199 VanDerWaalsContact O-N 3.11Å; E1196-S1199 PolarHBondContact O-N 3.1Å; E1196-S1199 VanDerWaalsContact O-N 3.13Å; E1196-S1199 PolarHBondContact O-OG 3.31Å; A1197-S1199 PolarHBondContact O-N 3.12Å |
| 1200 | S | 91.3 | Very high | 91.6 | Very high | 29 Ų | 29 | 40.7 Ų | 40.7 | 20% | 0.203 | 23% | 0.232 | C | C | . | . | trans | -123.2 | 103.8 | -173.7 | -179.7 | 0 | 0 | 0 | 0 | 112.3 | E1196 A1197 L1202 M1203 R1204 | E1196-S1200 PolarHBondContact O-N 2.97Å; A1197-S1200 CarbonylContact O-C 3.56Å; A1197-S1200 PolarHBondContact O-N 3.16Å; A1197-S1200 VanDerWaalsContact O-N 3.1Å; A1197-S1200 VanDerWaalsContact O-O 3.05Å; S1200-L1202 VanDerWaalsContact C-N 3.27Å; S1200-L1202 PolarHBondContact O-N 3.02Å; S1200-M1203 PolarHBondContact O-N 3.08Å; S1200-M1203 WeakPolarHBondContact OG-CB 3.33Å; S1200-M1203 PolarHBondContact OG-N 3.01Å; S1200-R1204 PolarHBondContact O-N 2.86Å | ||
| 1201 | V | 92.9 | Very high | 91.7 | Very high | 47 Ų | 47 | 34.5 Ų | 34.5 | 29% | 0.285 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -50 | -48.8 | 171.4 | 166 | 0 | 0 | 0 | 0 | 111.8 | M1203 R1204 S1205 E1283 S1285 V1286 | V1201-M1203 VanDerWaalsContact C-N 3.33Å; V1201-M1203 PolarHBondContact O-N 3.27Å; V1201-R1204 PolarHBondContact O-N 3.42Å; V1201-S1205 PolarHBondContact O-N 3.28Å; V1201-E1283 HydrophobicContact CB-CG 4.18Å; V1201-E1283 HydrophobicContact CG1-CB 4.23Å; V1201-E1283 HydrophobicContact CG1-CG 3.3Å; V1201-E1283 HydrophobicContact CG2-CB 4.27Å; V1201-E1283 HydrophobicContact CG2-CG 3.8Å; V1201-S1285 VanDerWaalsContact CG1-OG 3.31Å; V1201-S1285 WeakPolarHBondContact CG1-OG 3.28Å; V1201-V1286 HydrophobicContact CG1-CG2 4.13Å |
| 1202 | L | 92.7 | Very high | 91.7 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 26% | 0.257 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.8 | -39 | -173.4 | -61 | -178.9 | 0 | 0 | 0 | 111.2 | S1158 L1160 S1200 S1205 T1206 | S1158-L1202 CarbonylContact O-C 3.59Å; L1160-L1202 WeakPolarHBondContact O-CD1 3.36Å; S1200-L1202 VanDerWaalsContact C-N 3.27Å; S1200-L1202 PolarHBondContact O-N 3.02Å; L1202-S1205 PolarHBondContact O-N 3.32Å; L1202-T1206 PolarHBondContact O-N 3.44Å; L1202-T1206 PolarHBondContact O-OG1 3.22Å |
| 1203 | M | 93.6 | Very high | 91.6 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 7% | 0.074 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -47 | 174.8 | -178.7 | 166.7 | -158.4 | 0 | 0 | 111.6 | L1155 S1158 Q1191 E1196 A1197 S1200 V1201 S1205 T1206 L1207 | L1155-M1203 HydrophobicContact CD2-CE 4.27Å; S1158-M1203 WeakPolarHBondContact O-CA 3.49Å; S1158-M1203 WeakPolarHBondContact OG-CE 3.26Å; S1158-M1203 WeakPolarHBondContact OG-CG 3.19Å; Q1191-M1203 HydrophobicContact CG-CE 3.71Å; E1196-M1203 HydrophobicContact CB-SD 4.43Å; A1197-M1203 HydrophobicContact CB-CG 4.31Å; A1197-M1203 HydrophobicContact CB-SD 4.3Å; S1200-M1203 PolarHBondContact O-N 3.08Å; S1200-M1203 WeakPolarHBondContact OG-CB 3.33Å; S1200-M1203 PolarHBondContact OG-N 3.01Å; V1201-M1203 VanDerWaalsContact C-N 3.33Å; V1201-M1203 PolarHBondContact O-N 3.27Å; M1203-S1205 VanDerWaalsContact C-N 3.34Å; M1203-S1205 PolarHBondContact O-N 2.98Å; M1203-T1206 PolarHBondContact O-N 3.26Å; M1203-L1207 HydrophobicContact CE-CD1 4.43Å; M1203-L1207 HydrophobicContact CG-CD1 3.93Å; M1203-L1207 HydrophobicContact CG-CG 4.38Å; M1203-L1207 VanDerWaalsContact O-CG 3.28Å; M1203-L1207 WeakPolarHBondContact O-CG 3.49Å; M1203-L1207 PolarHBondContact O-N 3.34Å |
| 1204 | R | 94.3 | Very high | 91.6 | Very high | 30 Ų | 30 | 33 Ų | 33 | 11% | 0.113 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -46.4 | 176.7 | -66.7 | -175.7 | -62.1 | 164.5 | 5.8 | 111.6 | L1192 A1197 S1200 V1201 T1206 L1207 V1208 D1281 V1286 | L1192-R1204 HydrophobicContact CD1-CB 4.28Å; L1192-R1204 HydrophobicContact CD1-CG 4.31Å; A1197-R1204 HydrophobicContact CB-CG 4.04Å; A1197-R1204 VanDerWaalsContact O-CD 3.25Å; A1197-R1204 WeakPolarHBondContact O-CD 3.39Å; A1197-R1204 WeakPolarHBondContact O-CG 3.46Å; S1200-R1204 PolarHBondContact O-N 2.86Å; V1201-R1204 PolarHBondContact O-N 3.42Å; R1204-T1206 PolarHBondContact O-N 3.48Å; R1204-L1207 PolarHBondContact O-N 2.95Å; R1204-V1208 VanDerWaalsContact O-CG2 3.3Å; R1204-V1208 WeakPolarHBondContact O-CG2 3.36Å; R1204-V1208 PolarHBondContact O-N 3.43Å; R1204-D1281 IonicContact CZ-OD1 2.81Å; R1204-D1281 VanDerWaalsContact CZ-OD1 3.29Å; R1204-D1281 IonicContact CZ-OD2 3.5Å; R1204-D1281 IonicContact NE-OD2 3.92Å; R1204-D1281 VanDerWaalsContact NH1-CG 3.3Å; R1204-D1281 IonicContact NH1-OD1 3.22Å; R1204-D1281 PolarHBondContact NH1-OD1 3.03Å; R1204-D1281 IonicContact NH1-OD2 3.19Å; R1204-D1281 PolarHBondContact NH1-OD2 3.4Å; R1204-D1281 IonicContact NH2-OD1 3.31Å; R1204-D1281 PolarHBondContact NH2-OD1 3.34Å; R1204-D1281 IonicContact NH2-OD2 2.93Å; R1204-V1286 HydrophobicContact CB-CG1 4.21Å; R1204-V1286 HydrophobicContact CB-CG2 4.02Å |
| 1205 | S | 94.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 176.9 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | V1201 L1202 M1203 T1209 S1285 | V1201-S1205 PolarHBondContact O-N 3.28Å; L1202-S1205 PolarHBondContact O-N 3.32Å; M1203-S1205 VanDerWaalsContact C-N 3.34Å; M1203-S1205 PolarHBondContact O-N 2.98Å; S1205-T1209 WeakPolarHBondContact O-CB 3.35Å; S1205-T1209 PolarHBondContact O-N 2.91Å; S1205-T1209 PolarHBondContact O-OG1 2.85Å; S1205-S1285 PolarHBondContact OG-O 3.26Å |
| 1206 | T | 94.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 177.5 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | S1158 R1166 V1169 S1170 L1202 M1203 R1204 T1209 A1210 | S1158-T1206 PolarHBondContact O-OG1 2.98Å; R1166-T1206 WeakPolarHBondContact CD-OG1 3.34Å; V1169-T1206 HydrophobicContact CB-CG2 4.36Å; V1169-T1206 HydrophobicContact CG1-CG2 4.01Å; S1170-T1206 VanDerWaalsContact CB-O 3.29Å; S1170-T1206 WeakPolarHBondContact CB-O 3.32Å; L1202-T1206 PolarHBondContact O-N 3.44Å; L1202-T1206 PolarHBondContact O-OG1 3.22Å; M1203-T1206 PolarHBondContact O-N 3.26Å; R1204-T1206 PolarHBondContact O-N 3.48Å; T1206-T1209 PolarHBondContact O-N 2.61Å; T1206-A1210 PolarHBondContact O-N 3.38Å |
| 1207 | L | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.7 | -39.8 | -179.2 | -67.8 | 172 | 0 | 0 | 0 | 112.1 | L1155 L1173 L1188 Q1191 L1192 A1197 M1203 R1204 A1210 | L1155-L1207 HydrophobicContact CD2-CD2 3.92Å; L1173-L1207 HydrophobicContact CD1-CD2 4.27Å; L1188-L1207 HydrophobicContact CD2-CD2 3.85Å; Q1191-L1207 HydrophobicContact CB-CD1 4.24Å; Q1191-L1207 HydrophobicContact CG-CD1 3.92Å; Q1191-L1207 HydrophobicContact CG-CD2 4.38Å; L1192-L1207 HydrophobicContact CB-CD1 4.38Å; L1192-L1207 HydrophobicContact CD1-CB 4.28Å; L1192-L1207 HydrophobicContact CD1-CD1 4.47Å; A1197-L1207 HydrophobicContact CB-CD1 4.4Å; M1203-L1207 HydrophobicContact CE-CD1 4.43Å; M1203-L1207 HydrophobicContact CG-CD1 3.93Å; M1203-L1207 HydrophobicContact CG-CG 4.38Å; M1203-L1207 VanDerWaalsContact O-CG 3.28Å; M1203-L1207 WeakPolarHBondContact O-CG 3.49Å; M1203-L1207 PolarHBondContact O-N 3.34Å; R1204-L1207 PolarHBondContact O-N 2.95Å; L1207-A1210 WeakPolarHBondContact O-CB 3.46Å; L1207-A1210 PolarHBondContact O-N 2.88Å |
| 1208 | V | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.2 | -40.8 | 174.9 | 176.1 | 0 | 0 | 0 | 0 | 111 | L1192 R1204 A1210 V1211 R1278 A1289 A1290 A1293 | L1192-V1208 HydrophobicContact CD1-CG2 4.08Å; L1192-V1208 HydrophobicContact CD2-CG2 4.43Å; R1204-V1208 VanDerWaalsContact O-CG2 3.3Å; R1204-V1208 WeakPolarHBondContact O-CG2 3.36Å; R1204-V1208 PolarHBondContact O-N 3.43Å; V1208-A1210 PolarHBondContact O-N 2.76Å; V1208-V1211 WeakPolarHBondContact O-CB 3.39Å; V1208-V1211 PolarHBondContact O-N 2.79Å; V1208-V1211 VanDerWaalsContact O-N 3.15Å; V1208-R1278 HydrophobicContact CG2-CB 4.24Å; V1208-R1278 HydrophobicContact CG2-CG 3.93Å; V1208-A1289 HydrophobicContact CB-CB 4.14Å; V1208-A1289 HydrophobicContact CG1-CB 4Å; V1208-A1290 HydrophobicContact CG1-CB 4.13Å; V1208-A1293 HydrophobicContact CG1-CB 4.22Å |
| 1209 | T | 93.9 | Very high | 89.2 | Confident | 19 Ų | 19 | 23 Ų | 23 | 12% | 0.117 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.5 | -28.7 | 176.8 | -54 | 0 | 0 | 0 | 0 | 112.2 | S1205 T1206 V1211 K1212 F1213 | S1205-T1209 WeakPolarHBondContact O-CB 3.35Å; S1205-T1209 PolarHBondContact O-N 2.91Å; S1205-T1209 PolarHBondContact O-OG1 2.85Å; T1206-T1209 PolarHBondContact O-N 2.61Å; T1209-V1211 PolarHBondContact O-N 3.36Å; T1209-K1212 WeakPolarHBondContact O-CB 3.16Å; T1209-K1212 PolarHBondContact O-N 3.36Å; T1209-K1212 VanDerWaalsContact O-N 3.13Å; T1209-F1213 HydrophobicContact CG2-CD2 4.2Å; T1209-F1213 HydrophobicContact CG2-CE2 3.85Å; T1209-F1213 WeakPolarHBondContact O-CD2 3.39Å; T1209-F1213 PolarHBondContact O-N 3.01Å |
| 1210 | A | 95.1 | Very high | 88 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.9 | -34.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1170 L1173 T1206 L1207 V1208 K1212 F1213 I1214 | S1170-A1210 WeakPolarHBondContact O-CA 3.02Å; L1173-A1210 HydrophobicContact CB-CB 4.02Å; T1206-A1210 PolarHBondContact O-N 3.38Å; L1207-A1210 WeakPolarHBondContact O-CB 3.46Å; L1207-A1210 PolarHBondContact O-N 2.88Å; V1208-A1210 PolarHBondContact O-N 2.76Å; A1210-K1212 VanDerWaalsContact C-N 3.32Å; A1210-K1212 PolarHBondContact O-N 2.92Å; A1210-F1213 PolarHBondContact O-N 3.02Å; A1210-I1214 WeakPolarHBondContact O-CG1 3.49Å; A1210-I1214 PolarHBondContact O-N 3.37Å |
| 1211 | V | 92.4 | Very high | 86 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 176 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | V1208 T1209 F1213 I1214 L1215 L1272 F1275 | V1208-V1211 WeakPolarHBondContact O-CB 3.39Å; V1208-V1211 PolarHBondContact O-N 2.79Å; V1208-V1211 VanDerWaalsContact O-N 3.15Å; T1209-V1211 PolarHBondContact O-N 3.36Å; V1211-F1213 VanDerWaalsContact C-N 3.28Å; V1211-F1213 PolarHBondContact O-N 3.11Å; V1211-I1214 PolarHBondContact O-N 2.72Å; V1211-L1215 PolarHBondContact O-N 3.12Å; V1211-L1272 HydrophobicContact CG1-CD1 3.95Å; V1211-F1275 HydrophobicContact CG2-CB 4.13Å; V1211-F1275 HydrophobicContact CG2-CD1 3.42Å; V1211-F1275 VanDerWaalsContact CG2-CD1 3.42Å; V1211-F1275 HydrophobicContact CG2-CD2 4.02Å; V1211-F1275 HydrophobicContact CG2-CE1 3.71Å; V1211-F1275 HydrophobicContact CG2-CE2 4.27Å; V1211-F1275 HydrophobicContact CG2-CG 3.6Å; V1211-F1275 HydrophobicContact CG2-CZ 4.12Å |
| 1212 | K | 93 | Very high | 83.7 | Confident | 47 Ų | 47 | 23.4 Ų | 23.4 | 20% | 0.204 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.5 | -44.9 | 172.2 | 152.1 | 176 | 167.3 | 177.5 | 0 | 110.8 | T1209 A1210 L1215 I1216 V1292 T1296 | T1209-K1212 WeakPolarHBondContact O-CB 3.16Å; T1209-K1212 PolarHBondContact O-N 3.36Å; T1209-K1212 VanDerWaalsContact O-N 3.13Å; A1210-K1212 VanDerWaalsContact C-N 3.32Å; A1210-K1212 PolarHBondContact O-N 2.92Å; K1212-L1215 PolarHBondContact O-N 2.85Å; K1212-I1216 HydrophobicContact CD-CD1 4.06Å; K1212-I1216 VanDerWaalsContact CE-CD1 3.48Å; K1212-I1216 HydrophobicContact CG-CD1 3.53Å; K1212-I1216 HydrophobicContact CG-CG1 4.4Å; K1212-I1216 WeakPolarHBondContact O-CG1 3.39Å; K1212-I1216 PolarHBondContact O-N 3.06Å; K1212-V1292 HydrophobicContact CD-CG1 3.62Å; K1212-T1296 HydrophobicContact CB-CG2 4.32Å; K1212-T1296 HydrophobicContact CG-CG2 4.12Å |
| 1213 | F | 90.9 | Very high | 81 | Confident | 32 Ų | 32 | 23.2 Ų | 23.2 | 14% | 0.14 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.5 | -31.7 | -178.4 | -73.1 | -66.9 | 0 | 0 | 0 | 113.5 | S1170 E1171 T1209 A1210 V1211 L1215 V1217 | S1170-F1213 WeakPolarHBondContact OG-CE2 3.43Å; E1171-F1213 VanDerWaalsContact CA-CD2 3.49Å; E1171-F1213 HydrophobicContact CB-CD1 3.95Å; E1171-F1213 HydrophobicContact CB-CD2 3.93Å; E1171-F1213 HydrophobicContact CB-CE1 3.99Å; E1171-F1213 HydrophobicContact CB-CE2 3.95Å; E1171-F1213 HydrophobicContact CB-CG 3.91Å; E1171-F1213 HydrophobicContact CB-CZ 3.98Å; E1171-F1213 HydrophobicContact CG-CD1 3.8Å; E1171-F1213 HydrophobicContact CG-CE1 4.03Å; E1171-F1213 HydrophobicContact CG-CG 4.11Å; T1209-F1213 HydrophobicContact CG2-CD2 4.2Å; T1209-F1213 HydrophobicContact CG2-CE2 3.85Å; T1209-F1213 WeakPolarHBondContact O-CD2 3.39Å; T1209-F1213 PolarHBondContact O-N 3.01Å; A1210-F1213 PolarHBondContact O-N 3.02Å; V1211-F1213 VanDerWaalsContact C-N 3.28Å; V1211-F1213 PolarHBondContact O-N 3.11Å; F1213-L1215 PolarHBondContact O-N 3.38Å; F1213-V1217 VanDerWaalsContact O-CB 3.3Å; F1213-V1217 WeakPolarHBondContact O-CB 3.38Å; F1213-V1217 WeakPolarHBondContact O-CG2 3.32Å; F1213-V1217 PolarHBondContact O-N 3.21Å |
| 1214 | I | 90.1 | Very high | 78.1 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -53.2 | -48 | 171.1 | -65.9 | 170.7 | 0 | 0 | 0 | 109.7 | T1177 L1188 A1210 V1211 T1218 I1260 | T1177-I1214 HydrophobicContact CG2-CD1 3.78Å; T1177-I1214 HydrophobicContact CG2-CG1 4.22Å; L1188-I1214 HydrophobicContact CD1-CD1 3.85Å; A1210-I1214 WeakPolarHBondContact O-CG1 3.49Å; A1210-I1214 PolarHBondContact O-N 3.37Å; V1211-I1214 PolarHBondContact O-N 2.72Å; I1214-T1218 VanDerWaalsContact O-CG2 3.31Å; I1214-T1218 WeakPolarHBondContact O-CG2 3.42Å; I1214-T1218 PolarHBondContact O-N 3.04Å; I1214-T1218 PolarHBondContact O-OG1 2.9Å; I1214-I1260 HydrophobicContact CG2-CG2 3.59Å |
| 1215 | L | 85.7 | Confident | 75 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.1 | -49.1 | -175.6 | -60.9 | 169.3 | 0 | 0 | 0 | 112.4 | V1211 K1212 F1213 V1217 T1218 D1219 L1264 T1296 V1297 R1301 L1304 | V1211-L1215 PolarHBondContact O-N 3.12Å; K1212-L1215 PolarHBondContact O-N 2.85Å; F1213-L1215 PolarHBondContact O-N 3.38Å; L1215-V1217 VanDerWaalsContact C-N 3.29Å; L1215-V1217 PolarHBondContact O-N 2.72Å; L1215-T1218 PolarHBondContact O-N 3.24Å; L1215-T1218 PolarHBondContact O-OG1 3.38Å; L1215-D1219 PolarHBondContact O-N 3.28Å; L1215-L1264 HydrophobicContact CD2-CD1 3.99Å; L1215-T1296 HydrophobicContact CB-CG2 4.26Å; L1215-T1296 HydrophobicContact CD1-CG2 4.47Å; L1215-V1297 HydrophobicContact CD1-CB 4.05Å; L1215-V1297 HydrophobicContact CD1-CG2 3.32Å; L1215-R1301 HydrophobicContact CD2-CG 4Å; L1215-L1304 HydrophobicContact CD2-CD1 4.28Å |
| 1216 | I | 82.7 | Confident | 72.1 | Confident | 42 Ų | 42 | 29 Ų | 29 | 22% | 0.215 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -41 | -179.1 | -69.1 | 172.6 | 0 | 0 | 0 | 111.3 | K1212 D1219 L1220 T1296 | K1212-I1216 HydrophobicContact CD-CD1 4.06Å; K1212-I1216 VanDerWaalsContact CE-CD1 3.48Å; K1212-I1216 HydrophobicContact CG-CD1 3.53Å; K1212-I1216 HydrophobicContact CG-CG1 4.4Å; K1212-I1216 WeakPolarHBondContact O-CG1 3.39Å; K1212-I1216 PolarHBondContact O-N 3.06Å; I1216-D1219 PolarHBondContact O-N 2.95Å; I1216-L1220 HydrophobicContact CG2-CD1 3.8Å; I1216-L1220 HydrophobicContact CG2-CG 4.45Å; I1216-L1220 WeakPolarHBondContact O-CG 3.38Å; I1216-L1220 PolarHBondContact O-N 3.41Å; I1216-L1220 VanDerWaalsContact O-N 3.14Å; I1216-T1296 HydrophobicContact CD1-CG2 4.07Å; I1216-T1296 HydrophobicContact CG1-CG2 3.74Å |
| 1217 | V | 78.2 | Confident | 69.1 | Low | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.5 | -41 | -177.1 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | R1175 L1178 F1213 L1215 D1219 L1220 D1221 | R1175-V1217 HydrophobicContact CG-CG1 4.24Å; R1175-V1217 HydrophobicContact CG-CG2 3.86Å; R1175-V1217 VanDerWaalsContact NH1-CG1 3.29Å; L1178-V1217 HydrophobicContact CD1-CB 4.32Å; L1178-V1217 HydrophobicContact CD1-CG1 3.51Å; F1213-V1217 VanDerWaalsContact O-CB 3.3Å; F1213-V1217 WeakPolarHBondContact O-CB 3.38Å; F1213-V1217 WeakPolarHBondContact O-CG2 3.32Å; F1213-V1217 PolarHBondContact O-N 3.21Å; L1215-V1217 VanDerWaalsContact C-N 3.29Å; L1215-V1217 PolarHBondContact O-N 2.72Å; V1217-D1219 PolarHBondContact O-N 3.4Å; V1217-L1220 PolarHBondContact O-N 3.32Å; V1217-D1221 WeakPolarHBondContact CG1-OD2 3.44Å; V1217-D1221 WeakPolarHBondContact O-CB 3.35Å; V1217-D1221 PolarHBondContact O-N 2.92Å |
| 1218 | T | 73.7 | Confident | 65.9 | Low | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -33 | 178.4 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | L1178 I1214 L1215 A1222 I1260 | L1178-T1218 HydrophobicContact CD2-CG2 3.71Å; I1214-T1218 VanDerWaalsContact O-CG2 3.31Å; I1214-T1218 WeakPolarHBondContact O-CG2 3.42Å; I1214-T1218 PolarHBondContact O-N 3.04Å; I1214-T1218 PolarHBondContact O-OG1 2.9Å; L1215-T1218 PolarHBondContact O-N 3.24Å; L1215-T1218 PolarHBondContact O-OG1 3.38Å; T1218-A1222 WeakPolarHBondContact O-CB 3.38Å; T1218-A1222 PolarHBondContact O-N 3.47Å; T1218-I1260 HydrophobicContact CG2-CD1 3.25Å |
| 1219 | D | 66.8 | Low | 62.5 | Low | 52 Ų | 52 | 43.7 Ų | 43.7 | 28% | 0.278 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -77.2 | -39.3 | 176.7 | -82.5 | -11.5 | 0 | 0 | 0 | 113.3 | L1215 I1216 V1217 D1221 A1222 G1223 H1300 R1301 | L1215-D1219 PolarHBondContact O-N 3.28Å; I1216-D1219 PolarHBondContact O-N 2.95Å; V1217-D1219 PolarHBondContact O-N 3.4Å; D1219-D1221 VanDerWaalsContact C-N 3.32Å; D1219-A1222 PolarHBondContact O-N 3.46Å; D1219-G1223 PolarHBondContact O-N 2.86Å; D1219-H1300 WeakPolarHBondContact OD2-CB 3.32Å; D1219-H1300 IonicContact OD2-CD2 3.85Å; D1219-H1300 PolarHBondContact OD2-CD2 3.29Å; D1219-H1300 IonicContact OD2-CG 3.32Å; D1219-R1301 IonicContact OD1-CZ 3.79Å; D1219-R1301 IonicContact OD1-NH1 2.71Å; D1219-R1301 PolarHBondContact OD1-NH1 3.19Å; D1219-R1301 IonicContact OD1-NH2 2.65Å; D1219-R1301 PolarHBondContact OD1-NH2 3.32Å; D1219-R1301 IonicContact OD2-CZ 2.68Å; D1219-R1301 IonicContact OD2-NH1 3.16Å; D1219-R1301 PolarHBondContact OD2-NH1 2.88Å |
| 1220 | L | 61.4 | Low | 59.2 | Low | 101 Ų | 101 | 46.5 Ų | 46.5 | 53% | 0.529 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 172.7 | -72 | 167.5 | 0 | 0 | 0 | 110.4 | I1216 V1217 G1223 T1224 | I1216-L1220 HydrophobicContact CG2-CD1 3.8Å; I1216-L1220 HydrophobicContact CG2-CG 4.45Å; I1216-L1220 WeakPolarHBondContact O-CG 3.38Å; I1216-L1220 PolarHBondContact O-N 3.41Å; I1216-L1220 VanDerWaalsContact O-N 3.14Å; V1217-L1220 PolarHBondContact O-N 3.32Å; L1220-G1223 CarbonylContact O-C 3.6Å; L1220-G1223 WeakPolarHBondContact O-CA 3.44Å; L1220-G1223 PolarHBondContact O-N 3.49Å; L1220-G1223 VanDerWaalsContact O-N 3.12Å; L1220-T1224 PolarHBondContact O-N 2.95Å; L1220-T1224 PolarHBondContact O-OG1 3.11Å |
| 1221 | D | 48.8 | Very low | 55.7 | Low | 32 Ų | 32 | 57.7 Ų | 57.7 | 17% | 0.171 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.7 | -35 | -178.8 | -75.7 | -13.9 | 0 | 0 | 0 | 112.7 | V1217 D1219 G1223 T1224 M1225 | V1217-D1221 WeakPolarHBondContact CG1-OD2 3.44Å; V1217-D1221 WeakPolarHBondContact O-CB 3.35Å; V1217-D1221 PolarHBondContact O-N 2.92Å; D1219-D1221 VanDerWaalsContact C-N 3.32Å; D1221-G1223 VanDerWaalsContact C-N 3.27Å; D1221-G1223 PolarHBondContact O-N 3.45Å; D1221-T1224 WeakPolarHBondContact CA-OG1 3.36Å; D1221-T1224 CarbonylContact O-C 3.47Å; D1221-T1224 VanDerWaalsContact O-C 3.31Å; D1221-T1224 PolarHBondContact O-N 3.24Å; D1221-T1224 VanDerWaalsContact O-N 3.16Å; D1221-M1225 WeakPolarHBondContact O-CA 3.43Å; D1221-M1225 WeakPolarHBondContact O-CG 3.46Å; D1221-M1225 PolarHBondContact O-N 3.37Å |
| 1222 | A | 44.7 | Very low | 52.4 | Low | 55 Ų | 55 | 65.7 Ų | 65.7 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1218 D1219 M1225 | T1218-A1222 WeakPolarHBondContact O-CB 3.38Å; T1218-A1222 PolarHBondContact O-N 3.47Å; D1219-A1222 PolarHBondContact O-N 3.46Å; A1222-M1225 WeakPolarHBondContact O-CB 3.3Å |
| 1223 | G | 37 | Very low | 49.2 | Very low | 44 Ų | 44 | 72.5 Ų | 72.5 | 45% | 0.454 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -73.7 | -27.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1219 L1220 D1221 Y1241 | D1219-G1223 PolarHBondContact O-N 2.86Å; L1220-G1223 CarbonylContact O-C 3.6Å; L1220-G1223 WeakPolarHBondContact O-CA 3.44Å; L1220-G1223 PolarHBondContact O-N 3.49Å; L1220-G1223 VanDerWaalsContact O-N 3.12Å; D1221-G1223 VanDerWaalsContact C-N 3.27Å; D1221-G1223 PolarHBondContact O-N 3.45Å; G1223-Y1241 PolarHBondContact O-OH 3.27Å |
| 1224 | T | 33 | Very low | 46 | Very low | 50 Ų | 50 | 79.3 Ų | 79.3 | 31% | 0.307 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 11.8 | 174.7 | 40 | 0 | 0 | 0 | 0 | 114.3 | L1220 D1221 T1226 K1227 | L1220-T1224 PolarHBondContact O-N 2.95Å; L1220-T1224 PolarHBondContact O-OG1 3.11Å; D1221-T1224 WeakPolarHBondContact CA-OG1 3.36Å; D1221-T1224 CarbonylContact O-C 3.47Å; D1221-T1224 VanDerWaalsContact O-C 3.31Å; D1221-T1224 PolarHBondContact O-N 3.24Å; D1221-T1224 VanDerWaalsContact O-N 3.16Å; T1224-T1226 PolarHBondContact O-N 3.2Å; T1224-K1227 HydrophobicContact CG2-CD 3.65Å; T1224-K1227 HydrophobicContact CG2-CG 3.99Å; T1224-K1227 WeakPolarHBondContact O-CB 3.32Å; T1224-K1227 PolarHBondContact O-N 2.94Å |
| 1225 | M | 29.1 | Very low | 42.9 | Very low | 87 Ų | 87 | 86.6 Ų | 86.6 | 43% | 0.429 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -17.3 | 176.2 | -92.4 | -98 | 67.2 | 0 | 0 | 113.9 | L1137 D1221 A1222 | L1137-M1225 HydrophobicContact CB-CE 4.44Å; L1137-M1225 HydrophobicContact CD1-CE 3.12Å; L1137-M1225 HydrophobicContact CD1-CG 3.95Å; L1137-M1225 HydrophobicContact CD1-SD 3.23Å; L1137-M1225 WeakPolarHBondContact CD1-SD 3.46Å; L1137-M1225 HydrophobicContact CG-CE 4.35Å; D1221-M1225 WeakPolarHBondContact O-CA 3.43Å; D1221-M1225 WeakPolarHBondContact O-CG 3.46Å; D1221-M1225 PolarHBondContact O-N 3.37Å; A1222-M1225 WeakPolarHBondContact O-CB 3.3Å |
| 1226 | T | 33.6 | Very low | 40.1 | Very low | 36 Ų | 36 | 94.2 Ų | 94.2 | 22% | 0.221 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -2.1 | 174.7 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | T1224 T1240 Y1241 | T1224-T1226 PolarHBondContact O-N 3.2Å; T1226-T1240 WeakPolarHBondContact CG2-OG1 3.22Å; T1226-Y1241 VanDerWaalsContact CB-CE2 3.45Å; T1226-Y1241 HydrophobicContact CG2-CD2 4.34Å; T1226-Y1241 HydrophobicContact CG2-CE1 4.43Å; T1226-Y1241 HydrophobicContact CG2-CE2 3.46Å; T1226-Y1241 VanDerWaalsContact CG2-CE2 3.46Å; T1226-Y1241 VanDerWaalsContact CG2-CZ 3.49Å; T1226-Y1241 VanDerWaalsContact CG2-OH 3.31Å; T1226-Y1241 WeakPolarHBondContact CG2-OH 3.33Å; T1226-Y1241 WeakPolarHBondContact OG1-CE2 3.37Å; T1226-Y1241 PolarHBondContact OG1-OH 3.36Å |
| 1227 | K | 30.7 | Very low | 37.7 | Very low | 56 Ų | 56 | 96 Ų | 96 | 24% | 0.243 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -91.5 | -31.3 | -165.3 | -74.4 | -156 | 170.6 | -161.6 | 0 | 115.7 | D853 T1224 | D853-K1227 VanDerWaalsContact CG-NZ 3.3Å; D853-K1227 IonicContact OD1-NZ 3.47Å; D853-K1227 PolarHBondContact OD1-NZ 3.38Å; D853-K1227 VanDerWaalsContact OD1-NZ 3.16Å; D853-K1227 VanDerWaalsContact OD2-CE 3.24Å; D853-K1227 WeakPolarHBondContact OD2-CE 3.15Å; D853-K1227 IonicContact OD2-NZ 2.79Å; D853-K1227 PolarHBondContact OD2-NZ 2.84Å; T1224-K1227 HydrophobicContact CG2-CD 3.65Å; T1224-K1227 HydrophobicContact CG2-CG 3.99Å; T1224-K1227 WeakPolarHBondContact O-CB 3.32Å; T1224-K1227 PolarHBondContact O-N 2.94Å |
| 1228 | Y | 27.4 | Very low | 35.7 | Very low | 150 Ų | 150 | 101.5 Ų | 101.5 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | trans | -151.5 | 31.6 | -162.5 | -63.2 | -68.1 | 0 | 0 | 0 | 117.6 | R997 G1230 | R997-Y1228 PolarHBondContact NH2-OH 3.32Å; Y1228-G1230 PolarHBondContact O-N 2.96Å | ||
| 1229 | T | 24.9 | Very low | 34.1 | Very low | 102 Ų | 102 | 101.9 Ų | 101.9 | 63% | 0.626 | 53% | 0.53 | S | S | * | . | trans | -69.9 | 83.1 | 159.3 | 54.5 | 0 | 0 | 0 | 0 | 108.5 | R1231 | T1229-R1231 PolarHBondContact O-N 2.93Š| ||
| 1230 | G | 24.7 | Very low | 32.7 | Very low | 79 Ų | 79 | 104 Ų | 104 | 81% | 0.814 | 55% | 0.546 | S | S | * | . | trans | -68.7 | 52.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y1228 M1232 | Y1228-G1230 PolarHBondContact O-N 2.96Å; G1230-M1232 PolarHBondContact O-N 3.34Å | ||
| 1231 | R | 21.1 | Very low | 31.8 | Very low | 234 Ų | 234 | 104.6 Ų | 104.6 | 88% | 0.883 | 54% | 0.541 | S | S | * | . | trans | -78.4 | 102.3 | 162.6 | -93.8 | -170.1 | 176.4 | -168.2 | 1 | 108.1 | T1229 | T1229-R1231 PolarHBondContact O-N 2.93Š| ||
| 1232 | M | 23.3 | Very low | 31.3 | Very low | 170 Ų | 170 | 103.7 Ų | 103.7 | 84% | 0.837 | 54% | 0.536 | S | S | * | . | trans | 33.6 | 91.6 | 153.8 | -66.3 | -65 | 171.2 | 0 | 0 | 115.9 | G1230 Y1234 | G1230-M1232 PolarHBondContact O-N 3.34Å; M1232-Y1234 PolarHBondContact O-N 3.44Å | ||
| 1233 | R | 25.9 | Very low | 30.8 | Very low | 189 Ų | 189 | 104.8 Ų | 104.8 | 71% | 0.713 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 13.4 | -1.9 | 154.8 | -93.4 | -177 | -175.3 | 178.4 | 2.1 | 124.7 | ||
| 1234 | Y | 24.2 | Very low | 30.6 | Very low | 176 Ų | 176 | 105.4 Ų | 105.4 | 69% | 0.69 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -147.4 | 136.8 | 169.4 | -68 | -81.9 | 0 | 0 | 0 | 106.8 | M1232 | M1232-Y1234 PolarHBondContact O-N 3.44Š|
| 1235 | D | 25 | Very low | 30.3 | Very low | 153 Ų | 153 | 107.9 Ų | 107.9 | 82% | 0.818 | 54% | 0.544 | S | S | * | . | S | Bend | trans | 96.1 | 54.1 | 173 | -44.4 | -27.6 | 0 | 0 | 0 | 117.6 | ||
| 1236 | L | 25.4 | Very low | 30.4 | Very low | 162 Ų | 162 | 106.7 Ų | 106.7 | 85% | 0.848 | 55% | 0.545 | S | S | * | . | 170.7 | 128.4 | 126.5 | -117.2 | 73.3 | 0 | 0 | 0 | 108.9 | |||||
| 1237 | P | 33.8 | Very low | 30.3 | Very low | 79 Ų | 79 | 109.7 Ų | 109.7 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | trans | -76.9 | 140.7 | 177.6 | 31.6 | -31.4 | 0 | 0 | 0 | 110.4 | V1239 | P1237-V1239 HydrophobicContact CB-CG2 3.66Å; P1237-V1239 HydrophobicContact CG-CG2 3.8Å; P1237-V1239 WeakPolarHBondContact O-CG2 3.33Å; P1237-V1239 PolarHBondContact O-N 3.48Å | ||
| 1238 | D | 34.5 | Very low | 30.1 | Very low | 118 Ų | 118 | 113.5 Ų | 113.5 | 63% | 0.631 | 58% | 0.575 | S | S | * | * | trans | -59.5 | 56.6 | 180 | -61.3 | -45.2 | 0 | 0 | 0 | 115 | ||||
| 1239 | V | 40.5 | Very low | 30 | Very low | 15 Ų | 15 | 111.2 Ų | 111.2 | 9% | 0.091 | 58% | 0.576 | C | S | . | * | trans | -108.7 | 19.9 | -160.4 | -168.7 | 0 | 0 | 0 | 0 | 115.5 | Y769 L773 P1237 Y1241 F1242 | Y769-V1239 HydrophobicContact CE1-CG1 3.98Å; L773-V1239 HydrophobicContact CD2-CB 4.42Å; L773-V1239 HydrophobicContact CD2-CG1 3.56Å; L773-V1239 HydrophobicContact CD2-CG2 4.28Å; P1237-V1239 HydrophobicContact CB-CG2 3.66Å; P1237-V1239 HydrophobicContact CG-CG2 3.8Å; P1237-V1239 WeakPolarHBondContact O-CG2 3.33Å; P1237-V1239 PolarHBondContact O-N 3.48Å; V1239-Y1241 PolarHBondContact O-N 3.44Å; V1239-F1242 HydrophobicContact CG1-CB 4.08Å; V1239-F1242 HydrophobicContact CG1-CD2 4.42Å | ||
| 1240 | T | 38.4 | Very low | 30.1 | Very low | 97 Ų | 97 | 110.3 Ų | 110.3 | 60% | 0.595 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -23.3 | 178.2 | 42.8 | 0 | 0 | 0 | 0 | 113.8 | T1226 | T1226-T1240 WeakPolarHBondContact CG2-OG1 3.22Š|
| 1241 | Y | 41.8 | Very low | 30.3 | Very low | 112 Ų | 112 | 113.6 Ų | 113.6 | 44% | 0.439 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.1 | -21.1 | -176.1 | -64.6 | -72 | 0 | 0 | 0 | 116.6 | G1223 T1226 V1239 | G1223-Y1241 PolarHBondContact O-OH 3.27Å; T1226-Y1241 VanDerWaalsContact CB-CE2 3.45Å; T1226-Y1241 HydrophobicContact CG2-CD2 4.34Å; T1226-Y1241 HydrophobicContact CG2-CE1 4.43Å; T1226-Y1241 HydrophobicContact CG2-CE2 3.46Å; T1226-Y1241 VanDerWaalsContact CG2-CE2 3.46Å; T1226-Y1241 VanDerWaalsContact CG2-CZ 3.49Å; T1226-Y1241 VanDerWaalsContact CG2-OH 3.31Å; T1226-Y1241 WeakPolarHBondContact CG2-OH 3.33Å; T1226-Y1241 WeakPolarHBondContact OG1-CE2 3.37Å; T1226-Y1241 PolarHBondContact OG1-OH 3.36Å; V1239-Y1241 PolarHBondContact O-N 3.44Å |
| 1242 | F | 39.4 | Very low | 31 | Very low | 14 Ų | 14 | 106.6 Ų | 106.6 | 6% | 0.061 | 56% | 0.557 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -91 | -13.6 | 179.9 | -71.2 | -85.5 | 0 | 0 | 0 | 112.6 | Q727 Y769 L806 H809 V1239 | Q727-F1242 PolarHBondContact NE2-O 3.06Å; Y769-F1242 HydrophobicContact CD1-CB 3.52Å; Y769-F1242 AromaticContact CD1-CD1 3.31Å; Y769-F1242 HydrophobicContact CD1-CD1 3.31Å; Y769-F1242 AromaticContact CD1-CD2 3.87Å; Y769-F1242 HydrophobicContact CD1-CD2 3.87Å; Y769-F1242 AromaticContact CD1-CE1 3.92Å; Y769-F1242 HydrophobicContact CD1-CE1 3.92Å; Y769-F1242 HydrophobicContact CD1-CE2 4.42Å; Y769-F1242 AromaticContact CD1-CG 3.28Å; Y769-F1242 HydrophobicContact CD1-CG 3.28Å; Y769-F1242 HydrophobicContact CD1-CZ 4.44Å; Y769-F1242 HydrophobicContact CD2-CD1 4.21Å; Y769-F1242 AromaticContact CD2-CE1 3.96Å; Y769-F1242 HydrophobicContact CD2-CE1 3.96Å; Y769-F1242 HydrophobicContact CD2-CZ 4.16Å; Y769-F1242 HydrophobicContact CE1-CB 3.55Å; Y769-F1242 AromaticContact CE1-CD1 3.76Å; Y769-F1242 HydrophobicContact CE1-CD1 3.76Å; Y769-F1242 AromaticContact CE1-CD2 3.36Å; Y769-F1242 HydrophobicContact CE1-CD2 3.36Å; Y769-F1242 HydrophobicContact CE1-CE1 4.27Å; Y769-F1242 AromaticContact CE1-CE2 3.95Å; Y769-F1242 HydrophobicContact CE1-CE2 3.95Å; Y769-F1242 AromaticContact CE1-CG 3.26Å; Y769-F1242 HydrophobicContact CE1-CG 3.26Å; Y769-F1242 HydrophobicContact CE1-CZ 4.37Å; Y769-F1242 HydrophobicContact CE2-CD2 4.37Å; Y769-F1242 HydrophobicContact CE2-CE1 4.31Å; Y769-F1242 HydrophobicContact CE2-CE2 4.11Å; Y769-F1242 HydrophobicContact CE2-CZ 4.09Å; Y769-F1242 AromaticContact CG-CD1 3.57Å; Y769-F1242 HydrophobicContact CG-CD1 3.57Å; Y769-F1242 AromaticContact CG-CE1 3.75Å; Y769-F1242 HydrophobicContact CG-CE1 3.75Å; Y769-F1242 HydrophobicContact CG-CG 4Å; Y769-F1242 HydrophobicContact CG-CZ 4.34Å; Y769-F1242 AromaticContact CZ-CD2 3.65Å; Y769-F1242 AromaticContact CZ-CE2 3.77Å; Y769-F1242 AromaticContact CZ-CG 3.98Å; L806-F1242 HydrophobicContact CD2-CD1 4.46Å; L806-F1242 HydrophobicContact CD2-CE1 3.58Å; L806-F1242 HydrophobicContact CD2-CZ 4.18Å; H809-F1242 HydrophobicContact CB-CE1 4.4Å; H809-F1242 HydrophobicContact CB-CE2 4.2Å; H809-F1242 HydrophobicContact CB-CZ 3.55Å; H809-F1242 AromaticContact CD2-CZ 3.72Å; H809-F1242 AromaticContact CG-CZ 3.65Å; V1239-F1242 HydrophobicContact CG1-CB 4.08Å; V1239-F1242 HydrophobicContact CG1-CD2 4.42Å |
| 1243 | M | 32.6 | Very low | 32.1 | Very low | 78 Ų | 78 | 101 Ų | 101 | 38% | 0.384 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -85.4 | 130.6 | 174.2 | -63.8 | -173.6 | 65.5 | 0 | 0 | 108.6 | ||
| 1244 | V | 33 | Very low | 33.4 | Very low | 57 Ų | 57 | 93.1 Ų | 93.1 | 35% | 0.345 | 51% | 0.509 | S | S | . | . | trans | -52.9 | 127.3 | 164.3 | 179.6 | 0 | 0 | 0 | 0 | 105.8 | Q727 I728 S1246 | Q727-V1244 HydrophobicContact CG-CG2 4.35Å; I728-V1244 HydrophobicContact CG1-CG1 4.37Å; I728-V1244 HydrophobicContact CG1-CG2 3.95Å; V1244-S1246 VanDerWaalsContact C-N 3.27Å; V1244-S1246 PolarHBondContact O-N 2.95Å | ||
| 1245 | P | 28.1 | Very low | 35.4 | Very low | 101 Ų | 101 | 89.1 Ų | 89.1 | 66% | 0.656 | 50% | 0.504 | S | S | * | . | trans | -58.8 | 101 | 173.8 | 21.6 | -28.8 | 0 | 0 | 0 | 106.7 | Q1247 | P1245-Q1247 VanDerWaalsContact C-N 3.34Å; P1245-Q1247 PolarHBondContact O-N 3.42Å | ||
| 1246 | S | 30.2 | Very low | 37.6 | Very low | 63 Ų | 63 | 82.8 Ų | 82.8 | 44% | 0.441 | 47% | 0.471 | S | S | . | . | trans | -59.3 | 107.2 | 162.1 | 31.2 | 0 | 0 | 0 | 0 | 104.4 | V1244 E1248 | V1244-S1246 VanDerWaalsContact C-N 3.27Å; V1244-S1246 PolarHBondContact O-N 2.95Å; S1246-E1248 VanDerWaalsContact C-N 3.25Å; S1246-E1248 PolarHBondContact O-N 3.36Å | ||
| 1247 | Q | 32.4 | Very low | 39.9 | Very low | 98 Ų | 98 | 75.9 Ų | 75.9 | 46% | 0.458 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 93.3 | 171.8 | -72.5 | 174.6 | -25 | 0 | 0 | 107.4 | P1245 | P1245-Q1247 VanDerWaalsContact C-N 3.34Å; P1245-Q1247 PolarHBondContact O-N 3.42Å |
| 1248 | E | 25.4 | Very low | 41.9 | Very low | 136 Ų | 136 | 75.6 Ų | 75.6 | 64% | 0.636 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 167.5 | -7.9 | 162.1 | -98.5 | 169.4 | -151 | 0 | 0 | 114.7 | S1246 S1250 | S1246-E1248 VanDerWaalsContact C-N 3.25Å; S1246-E1248 PolarHBondContact O-N 3.36Å; E1248-S1250 PolarHBondContact O-N 3.23Å |
| 1249 | T | 25.5 | Very low | 44.2 | Very low | 102 Ų | 102 | 73.9 Ų | 73.9 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -74.3 | 88.6 | 158.7 | 38.4 | 0 | 0 | 0 | 0 | 108 | M1251 | T1249-M1251 PolarHBondContact O-N 3.19Š|
| 1250 | S | 27.2 | Very low | 46.3 | Very low | 83 Ų | 83 | 73.3 Ų | 73.3 | 58% | 0.58 | 42% | 0.416 | S | S | * | . | trans | -32.7 | 106.8 | 163.5 | 52.1 | 0 | 0 | 0 | 0 | 108.9 | E1248 S1252 | E1248-S1250 PolarHBondContact O-N 3.23Å; S1250-S1252 PolarHBondContact O-N 2.96Å | ||
| 1251 | M | 29 | Very low | 48.4 | Very low | 148 Ų | 148 | 70.5 Ų | 70.5 | 73% | 0.729 | 40% | 0.396 | S | S | * | . | trans | -76.4 | 67.8 | 167 | -69.7 | -82 | 79.6 | 0 | 0 | 105.6 | T1249 S1253 | T1249-M1251 PolarHBondContact O-N 3.19Å; M1251-S1253 PolarHBondContact O-N 3.08Å | ||
| 1252 | S | 35.7 | Very low | 50.4 | Low | 87 Ų | 87 | 68.8 Ų | 68.8 | 61% | 0.608 | 40% | 0.401 | S | S | * | . | trans | -52.2 | 119.5 | 173.2 | 59.6 | 0 | 0 | 0 | 0 | 106.2 | S1250 S1254 | S1250-S1252 PolarHBondContact O-N 2.96Å; S1252-S1254 PolarHBondContact O-N 3Å | ||
| 1253 | S | 45.4 | Very low | 52.6 | Low | 54 Ų | 54 | 68.5 Ų | 68.5 | 38% | 0.378 | 40% | 0.401 | S | S | . | . | trans | -45.8 | 132 | 176.8 | 54.3 | 0 | 0 | 0 | 0 | 108.7 | M1251 N1258 | M1251-S1253 PolarHBondContact O-N 3.08Å; S1253-N1258 PolarHBondContact OG-ND2 3.06Å; S1253-N1258 PolarHBondContact OG-OD1 3.05Å | ||
| 1254 | S | 54.2 | Low | 55.3 | Low | 22 Ų | 22 | 64.8 Ų | 64.8 | 15% | 0.154 | 38% | 0.383 | C | S | . | . | trans | -55.8 | 135 | -175.5 | 82.1 | 0 | 0 | 0 | 0 | 108.8 | S1252 L1256 T1257 N1258 | S1252-S1254 PolarHBondContact O-N 3Å; S1254-L1256 PolarHBondContact O-N 3.41Å; S1254-T1257 WeakPolarHBondContact O-CB 3.45Å; S1254-T1257 PolarHBondContact O-N 3.19Å; S1254-T1257 PolarHBondContact OG-N 3.19Å; S1254-T1257 PolarHBondContact OG-OG1 3.45Å; S1254-N1258 PolarHBondContact O-N 3.23Å | ||
| 1255 | P | 65.8 | Low | 57.7 | Low | 92 Ų | 92 | 65.8 Ų | 65.8 | 60% | 0.597 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -52.7 | -34.4 | -176.4 | 14.8 | -27.7 | 0 | 0 | 0 | 112.1 | T1257 N1258 D1259 | P1255-T1257 PolarHBondContact O-N 3.49Å; P1255-N1258 PolarHBondContact O-N 3.08Å; P1255-D1259 VanDerWaalsContact O-CG 3.31Å; P1255-D1259 PolarHBondContact O-N 3.46Å |
| 1256 | L | 71.9 | Confident | 60.3 | Low | 21 Ų | 21 | 63.4 Ų | 63.4 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 174.6 | -177.3 | 71.5 | 0 | 0 | 0 | 113.8 | L1137 L1178 P1181 S1254 N1258 D1259 I1260 | L1137-L1256 HydrophobicContact CD2-CB 3.39Å; L1137-L1256 HydrophobicContact CD2-CD2 3.77Å; L1137-L1256 HydrophobicContact CD2-CG 4.22Å; L1137-L1256 HydrophobicContact CG-CB 4.47Å; L1137-L1256 HydrophobicContact CG-CD2 3.98Å; L1178-L1256 HydrophobicContact CB-CD2 4.34Å; L1178-L1256 HydrophobicContact CD2-CD2 4.39Å; L1178-L1256 VanDerWaalsContact O-CD1 3.25Å; L1178-L1256 WeakPolarHBondContact O-CD1 3.45Å; P1181-L1256 HydrophobicContact CG-CD1 3.53Å; S1254-L1256 PolarHBondContact O-N 3.41Å; L1256-N1258 VanDerWaalsContact C-N 3.3Å; L1256-N1258 PolarHBondContact O-N 3.3Å; L1256-D1259 PolarHBondContact O-N 2.62Å; L1256-I1260 HydrophobicContact CD1-CD1 4.32Å; L1256-I1260 HydrophobicContact CG-CD1 3.94Å; L1256-I1260 WeakPolarHBondContact O-CG1 3.43Å; L1256-I1260 PolarHBondContact O-N 2.89Å |
| 1257 | T | 74 | Confident | 62.5 | Low | 17 Ų | 17 | 62.8 Ų | 62.8 | 10% | 0.104 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 178.1 | -49.1 | 0 | 0 | 0 | 0 | 110.3 | S1254 P1255 D1259 I1260 E1261 | S1254-T1257 WeakPolarHBondContact O-CB 3.45Å; S1254-T1257 PolarHBondContact O-N 3.19Å; S1254-T1257 PolarHBondContact OG-N 3.19Å; S1254-T1257 PolarHBondContact OG-OG1 3.45Å; P1255-T1257 PolarHBondContact O-N 3.49Å; T1257-D1259 VanDerWaalsContact C-N 3.35Å; T1257-I1260 PolarHBondContact O-N 3.11Å; T1257-E1261 WeakPolarHBondContact O-CB 3.23Å; T1257-E1261 WeakPolarHBondContact O-CG 3.45Å; T1257-E1261 PolarHBondContact O-N 3.04Å |
| 1258 | N | 75.6 | Confident | 64.5 | Low | 72 Ų | 72 | 66 Ų | 66 | 39% | 0.385 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 177.3 | -62.1 | -27.4 | 0 | 0 | 0 | 111.3 | S1253 S1254 P1255 L1256 E1261 S1262 | S1253-N1258 PolarHBondContact OG-ND2 3.06Å; S1253-N1258 PolarHBondContact OG-OD1 3.05Å; S1254-N1258 PolarHBondContact O-N 3.23Å; P1255-N1258 PolarHBondContact O-N 3.08Å; L1256-N1258 VanDerWaalsContact C-N 3.3Å; L1256-N1258 PolarHBondContact O-N 3.3Å; N1258-E1261 PolarHBondContact O-N 2.96Å; N1258-S1262 WeakPolarHBondContact O-CB 3.45Å; N1258-S1262 PolarHBondContact O-N 3.16Å |
| 1259 | D | 81.4 | Confident | 67 | Low | 82 Ų | 82 | 62.2 Ų | 62.2 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 177.3 | -70.2 | -22.5 | 0 | 0 | 0 | 112.3 | P1181 P1255 L1256 T1257 S1262 A1263 | P1181-D1259 HydrophobicContact CB-CB 4.32Å; P1181-D1259 HydrophobicContact CG-CB 4.24Å; P1255-D1259 VanDerWaalsContact O-CG 3.31Å; P1255-D1259 PolarHBondContact O-N 3.46Å; L1256-D1259 PolarHBondContact O-N 2.62Å; T1257-D1259 VanDerWaalsContact C-N 3.35Å; D1259-S1262 PolarHBondContact O-N 3.28Å; D1259-A1263 VanDerWaalsContact O-CB 3.28Å; D1259-A1263 WeakPolarHBondContact O-CB 3.23Å; D1259-A1263 PolarHBondContact O-N 3.46Å |
| 1260 | I | 84.5 | Confident | 69.7 | Low | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.2 | -46.6 | 176.4 | -69.9 | 163.2 | 0 | 0 | 0 | 110.9 | L1178 P1181 I1214 T1218 L1256 T1257 S1262 A1263 L1264 | L1178-I1260 HydrophobicContact CD2-CD1 3.32Å; L1178-I1260 HydrophobicContact CD2-CG1 4.46Å; P1181-I1260 HydrophobicContact CB-CB 4.39Å; P1181-I1260 HydrophobicContact CB-CG1 3.55Å; P1181-I1260 HydrophobicContact CG-CD1 4.37Å; P1181-I1260 HydrophobicContact CG-CG1 3.6Å; I1214-I1260 HydrophobicContact CG2-CG2 3.59Å; T1218-I1260 HydrophobicContact CG2-CD1 3.25Å; L1256-I1260 HydrophobicContact CD1-CD1 4.32Å; L1256-I1260 HydrophobicContact CG-CD1 3.94Å; L1256-I1260 WeakPolarHBondContact O-CG1 3.43Å; L1256-I1260 PolarHBondContact O-N 2.89Å; T1257-I1260 PolarHBondContact O-N 3.11Å; I1260-S1262 VanDerWaalsContact C-N 3.33Å; I1260-S1262 PolarHBondContact O-N 2.83Å; I1260-A1263 PolarHBondContact O-N 3.37Å; I1260-L1264 HydrophobicContact CG2-CD1 4Å; I1260-L1264 WeakPolarHBondContact O-CG 3.41Å; I1260-L1264 PolarHBondContact O-N 2.83Å |
| 1261 | E | 83.2 | Confident | 72.5 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 17% | 0.173 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 177.4 | -79.4 | -165.5 | -156 | 0 | 0 | 111.8 | T1257 N1258 A1263 L1264 R1265 R1301 L1304 | T1257-E1261 WeakPolarHBondContact O-CB 3.23Å; T1257-E1261 WeakPolarHBondContact O-CG 3.45Å; T1257-E1261 PolarHBondContact O-N 3.04Å; N1258-E1261 PolarHBondContact O-N 2.96Å; E1261-A1263 VanDerWaalsContact C-N 3.35Å; E1261-L1264 PolarHBondContact O-N 3.42Å; E1261-R1265 WeakPolarHBondContact O-CB 3.28Å; E1261-R1265 WeakPolarHBondContact O-CG 3.34Å; E1261-R1265 PolarHBondContact O-N 3.31Å; E1261-R1265 IonicContact OE2-CZ 3.84Å; E1261-R1265 IonicContact OE2-NH1 3.39Å; E1261-R1265 PolarHBondContact OE2-NH1 3.45Å; E1261-R1265 IonicContact OE2-NH2 3.22Å; E1261-R1265 PolarHBondContact OE2-NH2 2.94Å; E1261-R1301 VanDerWaalsContact OE1-CD 3.22Å; E1261-R1301 WeakPolarHBondContact OE1-CD 3.49Å; E1261-R1301 IonicContact OE1-NE 2.82Å; E1261-R1301 PolarHBondContact OE1-NE 3.48Å; E1261-L1304 HydrophobicContact CB-CD2 4.42Å; E1261-L1304 HydrophobicContact CG-CD1 4.31Å; E1261-L1304 HydrophobicContact CG-CD2 4.41Å |
| 1262 | S | 83.8 | Confident | 75.5 | Confident | 76 Ų | 76 | 48.1 Ų | 48.1 | 53% | 0.531 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 173.5 | -177 | 0 | 0 | 0 | 0 | 111.1 | N1258 D1259 I1260 L1264 R1265 A1266 | N1258-S1262 WeakPolarHBondContact O-CB 3.45Å; N1258-S1262 PolarHBondContact O-N 3.16Å; D1259-S1262 PolarHBondContact O-N 3.28Å; I1260-S1262 VanDerWaalsContact C-N 3.33Å; I1260-S1262 PolarHBondContact O-N 2.83Å; S1262-L1264 PolarHBondContact O-N 3.4Å; S1262-R1265 CarbonylContact O-C 3.36Å; S1262-R1265 PolarHBondContact O-N 3.39Å; S1262-A1266 WeakPolarHBondContact O-CB 3.47Å; S1262-A1266 PolarHBondContact O-N 2.84Å |
| 1263 | A | 86.2 | Confident | 78 | Confident | 8 Ų | 8 | 44.7 Ų | 44.7 | 7% | 0.066 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1182 V1185 D1259 I1260 E1261 A1266 | P1182-A1263 HydrophobicContact CB-CB 4.49Å; V1185-A1263 HydrophobicContact CB-CB 3.96Å; V1185-A1263 HydrophobicContact CG1-CB 4.29Å; V1185-A1263 HydrophobicContact CG2-CB 3.93Å; D1259-A1263 VanDerWaalsContact O-CB 3.28Å; D1259-A1263 WeakPolarHBondContact O-CB 3.23Å; D1259-A1263 PolarHBondContact O-N 3.46Å; I1260-A1263 PolarHBondContact O-N 3.37Å; E1261-A1263 VanDerWaalsContact C-N 3.35Å; A1263-A1266 WeakPolarHBondContact O-CB 3.27Å; A1263-A1266 PolarHBondContact O-N 3.33Å |
| 1264 | L | 88.7 | Confident | 80.1 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.6 | -29.5 | 176.3 | -71.8 | 173 | 0 | 0 | 0 | 112.7 | V1185 L1215 I1260 E1261 S1262 A1271 L1272 L1304 | V1185-L1264 HydrophobicContact CG1-CD2 3.86Å; V1185-L1264 HydrophobicContact CG1-CG 4.48Å; V1185-L1264 HydrophobicContact CG2-CD2 4.49Å; L1215-L1264 HydrophobicContact CD2-CD1 3.99Å; I1260-L1264 HydrophobicContact CG2-CD1 4Å; I1260-L1264 WeakPolarHBondContact O-CG 3.41Å; I1260-L1264 PolarHBondContact O-N 2.83Å; E1261-L1264 PolarHBondContact O-N 3.42Å; S1262-L1264 PolarHBondContact O-N 3.4Å; L1264-A1271 PolarHBondContact O-N 3.15Å; L1264-L1272 HydrophobicContact CB-CB 4.44Å; L1264-L1272 HydrophobicContact CD2-CD1 4.39Å; L1264-L1272 PolarHBondContact O-N 3.29Å; L1264-L1272 VanDerWaalsContact O-N 3.12Å; L1264-L1304 HydrophobicContact CD1-CD1 3.94Å |
| 1265 | R | 83.9 | Confident | 82 | Confident | 77 Ų | 77 | 42.6 Ų | 42.6 | 29% | 0.291 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -79.4 | -20 | 172.7 | -72.9 | -175 | 179.8 | 103.5 | 4.5 | 113.3 | E1261 S1262 G1303 L1304 | E1261-R1265 WeakPolarHBondContact O-CB 3.28Å; E1261-R1265 WeakPolarHBondContact O-CG 3.34Å; E1261-R1265 PolarHBondContact O-N 3.31Å; E1261-R1265 IonicContact OE2-CZ 3.84Å; E1261-R1265 IonicContact OE2-NH1 3.39Å; E1261-R1265 PolarHBondContact OE2-NH1 3.45Å; E1261-R1265 IonicContact OE2-NH2 3.22Å; E1261-R1265 PolarHBondContact OE2-NH2 2.94Å; S1262-R1265 CarbonylContact O-C 3.36Å; S1262-R1265 PolarHBondContact O-N 3.39Å; R1265-G1303 PolarHBondContact NH2-O 3.35Å; R1265-L1304 HydrophobicContact CG-CD2 3.61Å |
| 1266 | A | 82.6 | Confident | 83.3 | Confident | 51 Ų | 51 | 38.2 Ų | 38.2 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | trans | -62.2 | 141.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S1262 A1263 A1271 | S1262-A1266 WeakPolarHBondContact O-CB 3.47Å; S1262-A1266 PolarHBondContact O-N 2.84Å; A1263-A1266 WeakPolarHBondContact O-CB 3.27Å; A1263-A1266 PolarHBondContact O-N 3.33Å; A1266-A1271 PolarHBondContact O-N 2.93Å | ||
| 1267 | G | 76.1 | Confident | 84.1 | Confident | 51 Ų | 51 | 38 Ų | 38 | 53% | 0.526 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.5 | 167 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | P1269 | G1267-P1269 CarbonylContact C-O 3.59Å; G1267-P1269 CarbonylContact O-C 3.56Å |
| 1268 | N | 74.8 | Confident | 85 | Confident | 165 Ų | 165 | 39.3 Ų | 39.3 | 88% | 0.882 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -132.7 | 102.6 | 172.7 | -167.6 | 0.1 | 0 | 0 | 0 | 109.1 | ||
| 1269 | P | 77.1 | Confident | 85.8 | Confident | 57 Ų | 57 | 36 Ų | 36 | 37% | 0.37 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -77.9 | 162.1 | 6.8 | 37.6 | -39.4 | 0 | 0 | 0 | 112.5 | R1189 G1267 I1273 | R1189-P1269 PolarHBondContact NH2-O 2.87Å; G1267-P1269 CarbonylContact C-O 3.59Å; G1267-P1269 CarbonylContact O-C 3.56Å; P1269-I1273 HydrophobicContact CB-CG2 3.88Å; P1269-I1273 HydrophobicContact CG-CG2 3.83Å |
| 1270 | P | 83.3 | Confident | 86.2 | Confident | 31 Ų | 31 | 33.3 Ų | 33.3 | 20% | 0.201 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 141.4 | -175.9 | -29 | 38.1 | 0 | 0 | 0 | 112.9 | L1272 I1273 L1308 | P1270-L1272 PolarHBondContact O-N 3.26Å; P1270-I1273 WeakPolarHBondContact O-CB 3.48Å; P1270-I1273 WeakPolarHBondContact O-CG2 2.91Å; P1270-I1273 PolarHBondContact O-N 2.78Å; P1270-L1308 HydrophobicContact CB-CD2 4.21Å; P1270-L1308 HydrophobicContact CG-CD2 3.89Å |
| 1271 | A | 85.8 | Confident | 86.6 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -51.3 | -37 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | V1185 L1264 A1266 I1273 D1274 F1275 | V1185-A1271 HydrophobicContact CG1-CB 4.43Å; L1264-A1271 PolarHBondContact O-N 3.15Å; A1266-A1271 PolarHBondContact O-N 2.93Å; A1271-I1273 PolarHBondContact O-N 3Å; A1271-D1274 PolarHBondContact O-N 3.07Å; A1271-F1275 VanDerWaalsContact O-CD2 3.26Å; A1271-F1275 WeakPolarHBondContact O-CD2 3.32Å |
| 1272 | L | 90.5 | Very high | 86.8 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58 | -31.6 | 178.8 | -177.6 | 58.6 | 0 | 0 | 0 | 113.6 | V1211 L1264 P1270 D1274 F1275 L1276 V1297 L1304 L1308 | V1211-L1272 HydrophobicContact CG1-CD1 3.95Å; L1264-L1272 HydrophobicContact CB-CB 4.44Å; L1264-L1272 HydrophobicContact CD2-CD1 4.39Å; L1264-L1272 PolarHBondContact O-N 3.29Å; L1264-L1272 VanDerWaalsContact O-N 3.12Å; P1270-L1272 PolarHBondContact O-N 3.26Å; L1272-D1274 VanDerWaalsContact C-N 3.27Å; L1272-D1274 PolarHBondContact O-N 2.78Å; L1272-F1275 PolarHBondContact O-N 3.22Å; L1272-L1276 HydrophobicContact CD1-CD1 4.1Å; L1272-L1276 HydrophobicContact CD1-CD2 4.44Å; L1272-L1276 HydrophobicContact CD1-CG 4.02Å; L1272-L1276 HydrophobicContact CD2-CD1 4.12Å; L1272-L1276 HydrophobicContact CG-CD1 3.73Å; L1272-L1276 HydrophobicContact CG-CG 4.08Å; L1272-L1276 WeakPolarHBondContact O-CG 3.43Å; L1272-L1276 PolarHBondContact O-N 2.95Å; L1272-L1276 VanDerWaalsContact O-N 3.11Å; L1272-V1297 HydrophobicContact CD1-CG2 4.18Å; L1272-V1297 HydrophobicContact CD2-CG1 4.04Å; L1272-V1297 HydrophobicContact CD2-CG2 4.43Å; L1272-L1304 HydrophobicContact CD2-CB 3.87Å; L1272-L1308 HydrophobicContact CB-CD1 4.08Å; L1272-L1308 HydrophobicContact CD2-CD1 3.81Å; L1272-L1308 HydrophobicContact CG-CD1 3.95Å |
| 1273 | I | 90.1 | Very high | 87.2 | Confident | 14 Ų | 14 | 36.9 Ų | 36.9 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.3 | -30.6 | -178.8 | -158 | 62.6 | 0 | 0 | 0 | 112.3 | P1269 P1270 A1271 F1275 L1276 G1277 L1308 I1313 | P1269-I1273 HydrophobicContact CB-CG2 3.88Å; P1269-I1273 HydrophobicContact CG-CG2 3.83Å; P1270-I1273 WeakPolarHBondContact O-CB 3.48Å; P1270-I1273 WeakPolarHBondContact O-CG2 2.91Å; P1270-I1273 PolarHBondContact O-N 2.78Å; A1271-I1273 PolarHBondContact O-N 3Å; I1273-F1275 PolarHBondContact O-N 2.7Å; I1273-L1276 PolarHBondContact O-N 3.5Å; I1273-G1277 WeakPolarHBondContact O-CA 3.47Å; I1273-G1277 PolarHBondContact O-N 2.96Å; I1273-L1308 HydrophobicContact CD1-CB 4.12Å; I1273-L1308 HydrophobicContact CD1-CD2 4.41Å; I1273-I1313 HydrophobicContact CD1-CD1 4.2Å; I1273-I1313 HydrophobicContact CD1-CG1 4.47Å |
| 1274 | D | 88.4 | Confident | 87.4 | Confident | 30 Ų | 30 | 38.4 Ų | 38.4 | 16% | 0.16 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.1 | -28.7 | -178.4 | -75.8 | 14 | 0 | 0 | 0 | 111.2 | R1189 L1192 N1193 A1271 L1272 R1278 | R1189-D1274 HydrophobicContact CG-CB 4.36Å; R1189-D1274 WeakPolarHBondContact CG-OD2 3.42Å; R1189-D1274 IonicContact CZ-OD2 2.7Å; R1189-D1274 VanDerWaalsContact CZ-OD2 3.31Å; R1189-D1274 IonicContact NE-OD2 3.61Å; R1189-D1274 PolarHBondContact NE-OD2 3.08Å; R1189-D1274 IonicContact NH2-OD1 3.35Å; R1189-D1274 PolarHBondContact NH2-OD1 3.39Å; R1189-D1274 IonicContact NH2-OD2 3.76Å; R1189-D1274 PolarHBondContact NH2-OD2 2.86Å; R1189-D1274 VanDerWaalsContact NH2-OD2 3.07Å; L1192-D1274 WeakPolarHBondContact CD2-O 3.32Å; N1193-D1274 PolarHBondContact ND2-OD2 3.05Å; N1193-D1274 VanDerWaalsContact ND2-OD2 3.15Å; A1271-D1274 PolarHBondContact O-N 3.07Å; L1272-D1274 VanDerWaalsContact C-N 3.27Å; L1272-D1274 PolarHBondContact O-N 2.78Å; D1274-R1278 WeakPolarHBondContact O-CG 3.42Å; D1274-R1278 PolarHBondContact O-NE 3.06Å |
| 1275 | F | 93.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -83.2 | -49.8 | 176.4 | -58.1 | -86.6 | 0 | 0 | 0 | 111.3 | L1188 R1189 L1192 V1211 A1271 L1272 I1273 G1277 R1278 | L1188-F1275 HydrophobicContact CB-CE1 4.22Å; L1188-F1275 HydrophobicContact CB-CZ 3.91Å; R1189-F1275 HydrophobicContact CB-CE2 4.28Å; R1189-F1275 HydrophobicContact CB-CZ 4.14Å; L1192-F1275 HydrophobicContact CB-CE1 4.46Å; L1192-F1275 HydrophobicContact CD2-CD1 3.57Å; L1192-F1275 HydrophobicContact CD2-CE1 3.94Å; L1192-F1275 HydrophobicContact CD2-CG 4.12Å; V1211-F1275 HydrophobicContact CG2-CB 4.13Å; V1211-F1275 HydrophobicContact CG2-CD1 3.42Å; V1211-F1275 VanDerWaalsContact CG2-CD1 3.42Å; V1211-F1275 HydrophobicContact CG2-CD2 4.02Å; V1211-F1275 HydrophobicContact CG2-CE1 3.71Å; V1211-F1275 HydrophobicContact CG2-CE2 4.27Å; V1211-F1275 HydrophobicContact CG2-CG 3.6Å; V1211-F1275 HydrophobicContact CG2-CZ 4.12Å; A1271-F1275 VanDerWaalsContact O-CD2 3.26Å; A1271-F1275 WeakPolarHBondContact O-CD2 3.32Å; L1272-F1275 PolarHBondContact O-N 3.22Å; I1273-F1275 PolarHBondContact O-N 2.7Å; F1275-G1277 VanDerWaalsContact C-N 3.33Å; F1275-G1277 PolarHBondContact O-N 3.41Å; F1275-R1278 VanDerWaalsContact O-CB 3.31Å; F1275-R1278 WeakPolarHBondContact O-CB 3.2Å; F1275-R1278 WeakPolarHBondContact O-CG 3.32Å; F1275-R1278 PolarHBondContact O-N 3.11Å |
| 1276 | L | 93.2 | Very high | 88 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.7 | -34.8 | -179.1 | -61 | -178 | 0 | 0 | 0 | 112 | L1272 I1273 R1278 L1279 A1293 L1294 V1297 V1305 L1308 L1324 | L1272-L1276 HydrophobicContact CD1-CD1 4.1Å; L1272-L1276 HydrophobicContact CD1-CD2 4.44Å; L1272-L1276 HydrophobicContact CD1-CG 4.02Å; L1272-L1276 HydrophobicContact CD2-CD1 4.12Å; L1272-L1276 HydrophobicContact CG-CD1 3.73Å; L1272-L1276 HydrophobicContact CG-CG 4.08Å; L1272-L1276 WeakPolarHBondContact O-CG 3.43Å; L1272-L1276 PolarHBondContact O-N 2.95Å; L1272-L1276 VanDerWaalsContact O-N 3.11Å; I1273-L1276 PolarHBondContact O-N 3.5Å; L1276-R1278 PolarHBondContact O-N 3.33Å; L1276-R1278 VanDerWaalsContact O-N 3.09Å; L1276-L1279 WeakPolarHBondContact O-CB 3.4Å; L1276-L1279 PolarHBondContact O-N 3.05Å; L1276-A1293 HydrophobicContact CD2-CB 4.29Å; L1276-L1294 HydrophobicContact CD1-CD1 4.07Å; L1276-L1294 HydrophobicContact CD2-CB 3.97Å; L1276-L1294 HydrophobicContact CD2-CD1 4.33Å; L1276-V1297 HydrophobicContact CD2-CG2 4.42Å; L1276-V1305 HydrophobicContact CD1-CG2 4.3Å; L1276-L1308 HydrophobicContact CD1-CD1 4.27Å; L1276-L1324 HydrophobicContact CB-CD1 4.24Å; L1276-L1324 HydrophobicContact CB-CD2 4.14Å; L1276-L1324 HydrophobicContact CD1-CD2 4.14Å |
| 1277 | G | 90.3 | Very high | 88.5 | Confident | 15 Ų | 15 | 35 Ų | 35 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -63.2 | -12 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | I1273 F1275 L1279 A1280 | I1273-G1277 WeakPolarHBondContact O-CA 3.47Å; I1273-G1277 PolarHBondContact O-N 2.96Å; F1275-G1277 VanDerWaalsContact C-N 3.33Å; F1275-G1277 PolarHBondContact O-N 3.41Å; G1277-L1279 PolarHBondContact O-N 3.38Å; G1277-L1279 VanDerWaalsContact O-N 3.09Å; G1277-A1280 PolarHBondContact O-N 3.49Å; G1277-A1280 VanDerWaalsContact O-N 3.07Å |
| 1278 | R | 92.2 | Very high | 89.3 | Confident | 46 Ų | 46 | 36.5 Ų | 36.5 | 17% | 0.174 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -68.1 | 0.6 | 169 | -55.9 | -63.1 | 149.7 | 139.3 | 0.1 | 113.4 | L1192 N1193 V1208 D1274 F1275 L1276 A1280 D1281 V1286 A1290 | L1192-R1278 HydrophobicContact CD2-CG 4.2Å; N1193-R1278 PolarHBondContact OD1-NH2 3.29Å; V1208-R1278 HydrophobicContact CG2-CB 4.24Å; V1208-R1278 HydrophobicContact CG2-CG 3.93Å; D1274-R1278 WeakPolarHBondContact O-CG 3.42Å; D1274-R1278 PolarHBondContact O-NE 3.06Å; F1275-R1278 VanDerWaalsContact O-CB 3.31Å; F1275-R1278 WeakPolarHBondContact O-CB 3.2Å; F1275-R1278 WeakPolarHBondContact O-CG 3.32Å; F1275-R1278 PolarHBondContact O-N 3.11Å; L1276-R1278 PolarHBondContact O-N 3.33Å; L1276-R1278 VanDerWaalsContact O-N 3.09Å; R1278-A1280 PolarHBondContact O-N 3.15Å; R1278-D1281 WeakPolarHBondContact O-CB 3.35Å; R1278-D1281 PolarHBondContact O-N 2.91Å; R1278-V1286 HydrophobicContact CB-CG1 3.91Å; R1278-A1290 HydrophobicContact CB-CB 3.98Å |
| 1279 | L | 92 | Very high | 90.3 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -61.7 | -21.6 | 163.1 | -161.2 | 61.2 | 0 | 0 | 0 | 112.3 | L1276 G1277 R1287 A1290 L1291 L1324 L1327 L1328 E1331 | L1276-L1279 WeakPolarHBondContact O-CB 3.4Å; L1276-L1279 PolarHBondContact O-N 3.05Å; G1277-L1279 PolarHBondContact O-N 3.38Å; G1277-L1279 VanDerWaalsContact O-N 3.09Å; L1279-R1287 WeakPolarHBondContact O-CD 3.34Å; L1279-R1287 WeakPolarHBondContact O-CG 3.46Å; L1279-A1290 HydrophobicContact CB-CB 4.4Å; L1279-L1291 HydrophobicContact CD1-CB 3.84Å; L1279-L1291 HydrophobicContact CD1-CD1 4.18Å; L1279-L1291 HydrophobicContact CD1-CG 4.42Å; L1279-L1324 HydrophobicContact CB-CD1 4.42Å; L1279-L1324 HydrophobicContact CD2-CD1 4.08Å; L1279-L1327 HydrophobicContact CB-CB 4.35Å; L1279-L1327 HydrophobicContact CB-CD1 4.32Å; L1279-L1327 HydrophobicContact CD2-CB 3.64Å; L1279-L1327 HydrophobicContact CG-CB 3.98Å; L1279-L1328 HydrophobicContact CD2-CB 4.42Å; L1279-E1331 HydrophobicContact CD1-CG 4.1Å; L1279-E1331 HydrophobicContact CG-CG 4.46Å |
| 1280 | A | 90.2 | Very high | 91.1 | Very high | 25 Ų | 25 | 26.2 Ų | 26.2 | 21% | 0.207 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -89.9 | 8.1 | 172 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1277 R1278 L1315 L1327 | G1277-A1280 PolarHBondContact O-N 3.49Å; G1277-A1280 VanDerWaalsContact O-N 3.07Å; R1278-A1280 PolarHBondContact O-N 3.15Å; A1280-L1315 HydrophobicContact CB-CD2 3.73Å; A1280-L1327 HydrophobicContact CB-CD1 4.06Å; A1280-L1327 HydrophobicContact CB-CD2 4.07Å |
| 1281 | D | 91.9 | Very high | 91.7 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 6% | 0.059 | 13% | 0.133 | C | C | . | . | trans | -66.6 | 143 | 179.8 | -156.7 | -78.4 | 0 | 0 | 0 | 111.1 | R1204 R1278 E1283 V1286 R1287 | R1204-D1281 IonicContact CZ-OD1 2.81Å; R1204-D1281 VanDerWaalsContact CZ-OD1 3.29Å; R1204-D1281 IonicContact CZ-OD2 3.5Å; R1204-D1281 IonicContact NE-OD2 3.92Å; R1204-D1281 VanDerWaalsContact NH1-CG 3.3Å; R1204-D1281 IonicContact NH1-OD1 3.22Å; R1204-D1281 PolarHBondContact NH1-OD1 3.03Å; R1204-D1281 IonicContact NH1-OD2 3.19Å; R1204-D1281 PolarHBondContact NH1-OD2 3.4Å; R1204-D1281 IonicContact NH2-OD1 3.31Å; R1204-D1281 PolarHBondContact NH2-OD1 3.34Å; R1204-D1281 IonicContact NH2-OD2 2.93Å; R1278-D1281 WeakPolarHBondContact O-CB 3.35Å; R1278-D1281 PolarHBondContact O-N 2.91Å; D1281-E1283 PolarHBondContact O-N 3.37Å; D1281-E1283 PolarHBondContact OD1-N 3.24Å; D1281-V1286 HydrophobicContact CB-CB 3.92Å; D1281-V1286 HydrophobicContact CB-CG1 3.72Å; D1281-R1287 HydrophobicContact CB-CG 4.17Å; D1281-R1287 WeakPolarHBondContact O-CD 3.41Å; D1281-R1287 VanDerWaalsContact O-CG 3.23Å; D1281-R1287 WeakPolarHBondContact O-CG 3.5Å; D1281-R1287 PolarHBondContact O-NE 2.85Å; D1281-R1287 VanDerWaalsContact O-NE 3.15Å | ||
| 1282 | P | 88.7 | Confident | 92.1 | Very high | 102 Ų | 102 | 26.6 Ų | 26.6 | 66% | 0.662 | 14% | 0.144 | S | C | * | . | S | Bend | trans | -57.6 | -32.5 | 176.6 | 21.3 | -34.6 | 0 | 0 | 0 | 112.8 | R1287 | P1282-R1287 PolarHBondContact O-NH2 3.28Š|
| 1283 | E | 92.1 | Very high | 92.3 | Very high | 79 Ų | 79 | 26.5 Ų | 26.5 | 37% | 0.369 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -93 | 135 | -167.9 | -169.3 | 46.8 | -123.2 | 0 | 0 | 113.2 | V1201 D1281 S1285 V1286 R1287 | V1201-E1283 HydrophobicContact CB-CG 4.18Å; V1201-E1283 HydrophobicContact CG1-CB 4.23Å; V1201-E1283 HydrophobicContact CG1-CG 3.3Å; V1201-E1283 HydrophobicContact CG2-CB 4.27Å; V1201-E1283 HydrophobicContact CG2-CG 3.8Å; D1281-E1283 PolarHBondContact O-N 3.37Å; D1281-E1283 PolarHBondContact OD1-N 3.24Å; E1283-S1285 PolarHBondContact O-N 3.02Å; E1283-V1286 HydrophobicContact CB-CG2 4.22Å; E1283-V1286 PolarHBondContact O-N 2.9Å; E1283-R1287 PolarHBondContact O-N 3.41Å |
| 1284 | L | 90.9 | Very high | 92.5 | Very high | 40 Ų | 40 | 25.9 Ų | 25.9 | 21% | 0.209 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | -172.4 | -66.8 | 171.3 | 0 | 0 | 0 | 112.6 | V1286 R1287 R1288 L1338 L1357 | L1284-V1286 VanDerWaalsContact C-N 3.28Å; L1284-V1286 PolarHBondContact O-N 3.35Å; L1284-R1287 PolarHBondContact O-N 3.47Å; L1284-R1288 WeakPolarHBondContact O-CB 3.4Å; L1284-R1288 PolarHBondContact O-N 2.97Å; L1284-L1338 HydrophobicContact CD1-CD1 4.27Å; L1284-L1338 HydrophobicContact CD1-CD2 3.9Å; L1284-L1338 HydrophobicContact CD2-CD1 3.75Å; L1284-L1338 HydrophobicContact CD2-CD2 4.38Å; L1284-L1357 HydrophobicContact CD2-CD2 3.94Å |
| 1285 | S | 89.6 | Confident | 92.8 | Very high | 25 Ų | 25 | 25.9 Ų | 25.9 | 18% | 0.175 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.1 | -31.2 | -178.5 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | V1201 S1205 E1283 A1289 | V1201-S1285 VanDerWaalsContact CG1-OG 3.31Å; V1201-S1285 WeakPolarHBondContact CG1-OG 3.28Å; S1205-S1285 PolarHBondContact OG-O 3.26Å; E1283-S1285 PolarHBondContact O-N 3.02Å; S1285-A1289 PolarHBondContact O-N 3.01Å |
| 1286 | V | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -76.6 | -44 | 176.9 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | V1201 R1204 R1278 D1281 E1283 L1284 R1288 A1289 A1290 | V1201-V1286 HydrophobicContact CG1-CG2 4.13Å; R1204-V1286 HydrophobicContact CB-CG1 4.21Å; R1204-V1286 HydrophobicContact CB-CG2 4.02Å; R1278-V1286 HydrophobicContact CB-CG1 3.91Å; D1281-V1286 HydrophobicContact CB-CB 3.92Å; D1281-V1286 HydrophobicContact CB-CG1 3.72Å; E1283-V1286 HydrophobicContact CB-CG2 4.22Å; E1283-V1286 PolarHBondContact O-N 2.9Å; L1284-V1286 VanDerWaalsContact C-N 3.28Å; L1284-V1286 PolarHBondContact O-N 3.35Å; V1286-R1288 VanDerWaalsContact C-N 3.32Å; V1286-R1288 PolarHBondContact O-N 2.99Å; V1286-A1289 WeakPolarHBondContact O-CB 3.17Å; V1286-A1289 PolarHBondContact O-N 3.24Å; V1286-A1290 PolarHBondContact O-N 3.18Å |
| 1287 | R | 94.6 | Very high | 92.6 | Very high | 32 Ų | 32 | 26.3 Ų | 26.3 | 12% | 0.121 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 174.7 | -70 | -169.7 | -82 | 176.5 | -19.9 | 112.3 | L1279 D1281 P1282 E1283 L1284 A1289 A1290 L1291 E1331 R1335 L1357 | L1279-R1287 WeakPolarHBondContact O-CD 3.34Å; L1279-R1287 WeakPolarHBondContact O-CG 3.46Å; D1281-R1287 HydrophobicContact CB-CG 4.17Å; D1281-R1287 WeakPolarHBondContact O-CD 3.41Å; D1281-R1287 VanDerWaalsContact O-CG 3.23Å; D1281-R1287 WeakPolarHBondContact O-CG 3.5Å; D1281-R1287 PolarHBondContact O-NE 2.85Å; D1281-R1287 VanDerWaalsContact O-NE 3.15Å; P1282-R1287 PolarHBondContact O-NH2 3.28Å; E1283-R1287 PolarHBondContact O-N 3.41Å; L1284-R1287 PolarHBondContact O-N 3.47Å; R1287-A1289 VanDerWaalsContact C-N 3.35Å; R1287-A1289 PolarHBondContact O-N 3.28Å; R1287-A1290 PolarHBondContact O-N 3.45Å; R1287-L1291 VanDerWaalsContact O-CB 3.32Å; R1287-L1291 WeakPolarHBondContact O-CB 3.45Å; R1287-L1291 PolarHBondContact O-N 3.03Å; R1287-E1331 VanDerWaalsContact CD-OE1 3.27Å; R1287-E1331 WeakPolarHBondContact CD-OE1 3.29Å; R1287-E1331 IonicContact CZ-OE1 3.18Å; R1287-E1331 IonicContact NE-OE1 3.17Å; R1287-E1331 IonicContact NH1-OE1 2.81Å; R1287-E1331 PolarHBondContact NH1-OE1 3.46Å; R1287-E1331 IonicContact NH1-OE2 3.66Å; R1287-R1335 VanDerWaalsContact NH1-CZ 3.31Å; R1287-L1357 HydrophobicContact CB-CD1 4.22Å; R1287-L1357 HydrophobicContact CB-CD2 4.26Å |
| 1288 | R | 93.4 | Very high | 92.4 | Very high | 83 Ų | 83 | 25.6 Ų | 25.6 | 31% | 0.313 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 174.5 | -167.1 | -175.5 | 74.6 | -158.2 | 7 | 111.5 | E1163 L1284 V1286 A1290 L1291 V1292 L1357 | E1163-R1288 IonicContact OE1-CZ 2.76Å; E1163-R1288 IonicContact OE1-NH2 2.89Å; E1163-R1288 PolarHBondContact OE1-NH2 3.2Å; L1284-R1288 WeakPolarHBondContact O-CB 3.4Å; L1284-R1288 PolarHBondContact O-N 2.97Å; V1286-R1288 VanDerWaalsContact C-N 3.32Å; V1286-R1288 PolarHBondContact O-N 2.99Å; R1288-A1290 VanDerWaalsContact C-N 3.35Å; R1288-A1290 PolarHBondContact O-N 2.85Å; R1288-L1291 PolarHBondContact O-N 3.03Å; R1288-V1292 WeakPolarHBondContact O-CB 3.48Å; R1288-V1292 VanDerWaalsContact O-CG2 3.3Å; R1288-V1292 WeakPolarHBondContact O-CG2 3.26Å; R1288-V1292 PolarHBondContact O-N 3.12Å; R1288-L1357 VanDerWaalsContact CA-CD1 3.44Å; R1288-L1357 HydrophobicContact CB-CD1 3.84Å; R1288-L1357 HydrophobicContact CG-CD1 4.36Å |
| 1289 | A | 93.8 | Very high | 92 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 5% | 0.05 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1208 S1285 V1286 R1287 L1291 V1292 A1293 | V1208-A1289 HydrophobicContact CB-CB 4.14Å; V1208-A1289 HydrophobicContact CG1-CB 4Å; S1285-A1289 PolarHBondContact O-N 3.01Å; V1286-A1289 WeakPolarHBondContact O-CB 3.17Å; V1286-A1289 PolarHBondContact O-N 3.24Å; R1287-A1289 VanDerWaalsContact C-N 3.35Å; R1287-A1289 PolarHBondContact O-N 3.28Å; A1289-L1291 VanDerWaalsContact C-N 3.35Å; A1289-L1291 PolarHBondContact O-N 3.42Å; A1289-V1292 PolarHBondContact O-N 3.04Å; A1289-A1293 VanDerWaalsContact O-CB 3.3Å; A1289-A1293 WeakPolarHBondContact O-CB 3.49Å; A1289-A1293 PolarHBondContact O-N 2.87Å |
| 1290 | A | 95.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.7 | -40.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1208 R1278 L1279 V1286 R1287 R1288 A1293 L1294 | V1208-A1290 HydrophobicContact CG1-CB 4.13Å; R1278-A1290 HydrophobicContact CB-CB 3.98Å; L1279-A1290 HydrophobicContact CB-CB 4.4Å; V1286-A1290 PolarHBondContact O-N 3.18Å; R1287-A1290 PolarHBondContact O-N 3.45Å; R1288-A1290 VanDerWaalsContact C-N 3.35Å; R1288-A1290 PolarHBondContact O-N 2.85Å; A1290-A1293 PolarHBondContact O-N 3.34Å; A1290-L1294 WeakPolarHBondContact O-CB 3.44Å; A1290-L1294 PolarHBondContact O-N 2.71Å |
| 1291 | L | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.9 | -41.9 | 179.1 | -171.9 | 55 | 0 | 0 | 0 | 112.6 | L1279 R1287 R1288 A1289 A1293 L1294 N1295 L1328 L1357 C1360 A1361 C1364 | L1279-L1291 HydrophobicContact CD1-CB 3.84Å; L1279-L1291 HydrophobicContact CD1-CD1 4.18Å; L1279-L1291 HydrophobicContact CD1-CG 4.42Å; R1287-L1291 VanDerWaalsContact O-CB 3.32Å; R1287-L1291 WeakPolarHBondContact O-CB 3.45Å; R1287-L1291 PolarHBondContact O-N 3.03Å; R1288-L1291 PolarHBondContact O-N 3.03Å; A1289-L1291 VanDerWaalsContact C-N 3.35Å; A1289-L1291 PolarHBondContact O-N 3.42Å; L1291-A1293 VanDerWaalsContact C-N 3.33Å; L1291-L1294 HydrophobicContact CD1-CD2 4.4Å; L1291-L1294 WeakPolarHBondContact O-CB 3.45Å; L1291-L1294 PolarHBondContact O-N 3.5Å; L1291-N1295 WeakPolarHBondContact O-CB 3.48Å; L1291-N1295 PolarHBondContact O-N 3.35Å; L1291-L1328 HydrophobicContact CD1-CD1 3.45Å; L1291-L1328 VanDerWaalsContact CD1-CD1 3.45Å; L1291-L1357 HydrophobicContact CD2-CD1 3.84Å; L1291-L1357 HydrophobicContact CD2-CG 4.46Å; L1291-L1357 WeakPolarHBondContact CD2-O 3.49Å; L1291-C1360 HydrophobicContact CD2-CB 3.68Å; L1291-C1360 HydrophobicContact CG-CB 4.01Å; L1291-A1361 HydrophobicContact CD2-CB 3.9Å; L1291-C1364 HydrophobicContact CD1-CB 4.01Å |
| 1292 | V | 94.4 | Very high | 90.5 | Very high | 42 Ų | 42 | 32.2 Ų | 32.2 | 26% | 0.255 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 173.3 | 169 | 0 | 0 | 0 | 0 | 110.7 | K1212 R1288 A1289 N1295 T1296 | K1212-V1292 HydrophobicContact CD-CG1 3.62Å; R1288-V1292 WeakPolarHBondContact O-CB 3.48Å; R1288-V1292 VanDerWaalsContact O-CG2 3.3Å; R1288-V1292 WeakPolarHBondContact O-CG2 3.26Å; R1288-V1292 PolarHBondContact O-N 3.12Å; A1289-V1292 PolarHBondContact O-N 3.04Å; V1292-N1295 PolarHBondContact O-N 2.76Å; V1292-T1296 WeakPolarHBondContact O-CB 3.22Å; V1292-T1296 PolarHBondContact O-N 3.09Å; V1292-T1296 PolarHBondContact O-OG1 3.01Å |
| 1293 | A | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1208 L1276 A1289 A1290 L1291 N1295 T1296 V1297 | V1208-A1293 HydrophobicContact CG1-CB 4.22Å; L1276-A1293 HydrophobicContact CD2-CB 4.29Å; A1289-A1293 VanDerWaalsContact O-CB 3.3Å; A1289-A1293 WeakPolarHBondContact O-CB 3.49Å; A1289-A1293 PolarHBondContact O-N 2.87Å; A1290-A1293 PolarHBondContact O-N 3.34Å; L1291-A1293 VanDerWaalsContact C-N 3.33Å; A1293-N1295 PolarHBondContact O-N 2.95Å; A1293-T1296 WeakPolarHBondContact O-CB 3.44Å; A1293-T1296 PolarHBondContact O-N 3.3Å; A1293-V1297 WeakPolarHBondContact O-CG2 3.46Å; A1293-V1297 PolarHBondContact O-N 3.29Å |
| 1294 | L | 94.8 | Very high | 89.4 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.1 | -50 | 174.9 | 178.3 | 55.6 | 0 | 0 | 0 | 111.6 | L1276 A1290 L1291 T1296 V1297 A1298 V1305 L1324 | L1276-L1294 HydrophobicContact CD1-CD1 4.07Å; L1276-L1294 HydrophobicContact CD2-CB 3.97Å; L1276-L1294 HydrophobicContact CD2-CD1 4.33Å; A1290-L1294 WeakPolarHBondContact O-CB 3.44Å; A1290-L1294 PolarHBondContact O-N 2.71Å; L1291-L1294 HydrophobicContact CD1-CD2 4.4Å; L1291-L1294 WeakPolarHBondContact O-CB 3.45Å; L1291-L1294 PolarHBondContact O-N 3.5Å; L1294-T1296 VanDerWaalsContact C-N 3.3Å; L1294-T1296 PolarHBondContact O-N 2.84Å; L1294-V1297 PolarHBondContact O-N 3.41Å; L1294-A1298 WeakPolarHBondContact O-CB 3.47Å; L1294-A1298 PolarHBondContact O-N 3.19Å; L1294-V1305 HydrophobicContact CD1-CG2 3.43Å; L1294-V1305 VanDerWaalsContact CD1-CG2 3.43Å; L1294-L1324 HydrophobicContact CD1-CD2 3.59Å; L1294-L1324 HydrophobicContact CD1-CG 4.42Å; L1294-L1324 HydrophobicContact CD2-CD1 4.28Å; L1294-L1324 HydrophobicContact CD2-CD2 4.05Å; L1294-L1324 HydrophobicContact CD2-CG 3.97Å; L1294-L1324 HydrophobicContact CG-CD2 4.45Å |
| 1295 | N | 94 | Very high | 89.1 | Confident | 30 Ų | 30 | 23.2 Ų | 23.2 | 16% | 0.16 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 177.2 | -168.3 | 20.2 | 0 | 0 | 0 | 111.3 | L1291 V1292 A1293 V1297 A1298 H1299 C1364 T1367 | L1291-N1295 WeakPolarHBondContact O-CB 3.48Å; L1291-N1295 PolarHBondContact O-N 3.35Å; V1292-N1295 PolarHBondContact O-N 2.76Å; A1293-N1295 PolarHBondContact O-N 2.95Å; N1295-V1297 PolarHBondContact O-N 3.08Å; N1295-A1298 PolarHBondContact O-N 3.41Å; N1295-H1299 WeakPolarHBondContact O-CB 3.5Å; N1295-H1299 PolarHBondContact O-N 3.25Å; N1295-C1364 HydrophobicContact CB-CB 4.01Å; N1295-T1367 VanDerWaalsContact OD1-CB 3.22Å; N1295-T1367 WeakPolarHBondContact OD1-CB 3.35Å; N1295-T1367 PolarHBondContact OD1-OG1 3.31Å |
| 1296 | T | 91.6 | Very high | 88.8 | Confident | 12 Ų | 12 | 23.9 Ų | 23.9 | 7% | 0.074 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 177 | -55 | 0 | 0 | 0 | 0 | 111.5 | K1212 L1215 I1216 V1292 A1293 L1294 H1299 H1300 | K1212-T1296 HydrophobicContact CB-CG2 4.32Å; K1212-T1296 HydrophobicContact CG-CG2 4.12Å; L1215-T1296 HydrophobicContact CB-CG2 4.26Å; L1215-T1296 HydrophobicContact CD1-CG2 4.47Å; I1216-T1296 HydrophobicContact CD1-CG2 4.07Å; I1216-T1296 HydrophobicContact CG1-CG2 3.74Å; V1292-T1296 WeakPolarHBondContact O-CB 3.22Å; V1292-T1296 PolarHBondContact O-N 3.09Å; V1292-T1296 PolarHBondContact O-OG1 3.01Å; A1293-T1296 WeakPolarHBondContact O-CB 3.44Å; A1293-T1296 PolarHBondContact O-N 3.3Å; L1294-T1296 VanDerWaalsContact C-N 3.3Å; L1294-T1296 PolarHBondContact O-N 2.84Å; T1296-H1299 PolarHBondContact O-N 2.93Å; T1296-H1300 WeakPolarHBondContact CG2-ND1 3.29Å; T1296-H1300 WeakPolarHBondContact O-CB 3.44Å; T1296-H1300 PolarHBondContact O-N 3.47Å; T1296-H1300 PolarHBondContact O-ND1 2.82Å |
| 1297 | V | 90.3 | Very high | 88 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.5 | -46.4 | 176.9 | -178.4 | 0 | 0 | 0 | 0 | 110.3 | L1215 L1272 L1276 A1293 L1294 N1295 H1299 H1300 R1301 L1304 V1305 | L1215-V1297 HydrophobicContact CD1-CB 4.05Å; L1215-V1297 HydrophobicContact CD1-CG2 3.32Å; L1272-V1297 HydrophobicContact CD1-CG2 4.18Å; L1272-V1297 HydrophobicContact CD2-CG1 4.04Å; L1272-V1297 HydrophobicContact CD2-CG2 4.43Å; L1276-V1297 HydrophobicContact CD2-CG2 4.42Å; A1293-V1297 WeakPolarHBondContact O-CG2 3.46Å; A1293-V1297 PolarHBondContact O-N 3.29Å; L1294-V1297 PolarHBondContact O-N 3.41Å; N1295-V1297 PolarHBondContact O-N 3.08Å; V1297-H1299 VanDerWaalsContact C-N 3.27Å; V1297-H1299 PolarHBondContact O-N 3.28Å; V1297-H1300 PolarHBondContact O-N 3.12Å; V1297-R1301 CarbonylContact O-C 3.44Å; V1297-R1301 WeakPolarHBondContact O-CA 3.18Å; V1297-R1301 PolarHBondContact O-N 3.47Å; V1297-L1304 HydrophobicContact CG1-CB 3.94Å; V1297-V1305 HydrophobicContact CG1-CB 3.85Å |
| 1298 | A | 87.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.2 | -40.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1294 N1295 P1302 V1305 T1367 L1368 T1371 | L1294-A1298 WeakPolarHBondContact O-CB 3.47Å; L1294-A1298 PolarHBondContact O-N 3.19Å; N1295-A1298 PolarHBondContact O-N 3.41Å; A1298-P1302 WeakPolarHBondContact O-CB 3.21Å; A1298-V1305 HydrophobicContact CB-CG1 4.25Å; A1298-T1367 HydrophobicContact CB-CG2 3.76Å; A1298-L1368 HydrophobicContact CB-CD2 3.81Å; A1298-L1368 HydrophobicContact CB-CG 4.46Å; A1298-T1371 PolarHBondContact O-OG1 3.3Å |
| 1299 | H | 84.4 | Confident | 87.2 | Confident | 109 Ų | 109 | 22.3 Ų | 22.3 | 51% | 0.505 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -72.3 | -50.1 | 179.4 | -176 | -90.8 | 0 | 0 | 0 | 113.3 | N1295 T1296 V1297 T1367 | N1295-H1299 WeakPolarHBondContact O-CB 3.5Å; N1295-H1299 PolarHBondContact O-N 3.25Å; T1296-H1299 PolarHBondContact O-N 2.93Å; V1297-H1299 VanDerWaalsContact C-N 3.27Å; V1297-H1299 PolarHBondContact O-N 3.28Å; H1299-T1367 HydrophobicContact CB-CG2 3.9Å |
| 1300 | H | 80.3 | Confident | 86.7 | Confident | 50 Ų | 50 | 25.8 Ų | 25.8 | 23% | 0.231 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -89.5 | -34.5 | -170.6 | -59.7 | 89.7 | 0 | 0 | 0 | 112.7 | D1219 T1296 V1297 | D1219-H1300 WeakPolarHBondContact OD2-CB 3.32Å; D1219-H1300 IonicContact OD2-CD2 3.85Å; D1219-H1300 PolarHBondContact OD2-CD2 3.29Å; D1219-H1300 IonicContact OD2-CG 3.32Å; T1296-H1300 WeakPolarHBondContact CG2-ND1 3.29Å; T1296-H1300 WeakPolarHBondContact O-CB 3.44Å; T1296-H1300 PolarHBondContact O-N 3.47Å; T1296-H1300 PolarHBondContact O-ND1 2.82Å; V1297-H1300 PolarHBondContact O-N 3.12Å |
| 1301 | R | 82.7 | Confident | 86.1 | Confident | 34 Ų | 34 | 28.2 Ų | 28.2 | 13% | 0.128 | 15% | 0.154 | C | C | . | . | trans | -140.5 | 63.8 | -174.1 | -64.5 | -62.9 | -177.7 | -78.1 | -6 | 111.6 | L1215 D1219 E1261 V1297 G1303 L1304 | L1215-R1301 HydrophobicContact CD2-CG 4Å; D1219-R1301 IonicContact OD1-CZ 3.79Å; D1219-R1301 IonicContact OD1-NH1 2.71Å; D1219-R1301 PolarHBondContact OD1-NH1 3.19Å; D1219-R1301 IonicContact OD1-NH2 2.65Å; D1219-R1301 PolarHBondContact OD1-NH2 3.32Å; D1219-R1301 IonicContact OD2-CZ 2.68Å; D1219-R1301 IonicContact OD2-NH1 3.16Å; D1219-R1301 PolarHBondContact OD2-NH1 2.88Å; E1261-R1301 VanDerWaalsContact OE1-CD 3.22Å; E1261-R1301 WeakPolarHBondContact OE1-CD 3.49Å; E1261-R1301 IonicContact OE1-NE 2.82Å; E1261-R1301 PolarHBondContact OE1-NE 3.48Å; V1297-R1301 CarbonylContact O-C 3.44Å; V1297-R1301 WeakPolarHBondContact O-CA 3.18Å; V1297-R1301 PolarHBondContact O-N 3.47Å; R1301-G1303 PolarHBondContact O-N 2.92Å; R1301-G1303 VanDerWaalsContact O-N 3.11Å; R1301-L1304 HydrophobicContact CB-CB 4.35Å; R1301-L1304 HydrophobicContact CB-CD1 3.69Å; R1301-L1304 HydrophobicContact CB-CG 4.01Å; R1301-L1304 HydrophobicContact CG-CD1 4.13Å; R1301-L1304 WeakPolarHBondContact O-CB 3.32Å; R1301-L1304 PolarHBondContact O-N 3.35Å | ||
| 1302 | P | 79.1 | Confident | 85.4 | Confident | 30 Ų | 30 | 32.5 Ų | 32.5 | 20% | 0.195 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.3 | -31.5 | -178.1 | 21.6 | -32.2 | 0 | 0 | 0 | 112.9 | A1298 L1304 V1305 R1306 | A1298-P1302 WeakPolarHBondContact O-CB 3.21Å; P1302-L1304 PolarHBondContact O-N 2.86Å; P1302-L1304 VanDerWaalsContact O-N 3.15Å; P1302-V1305 WeakPolarHBondContact O-CG1 3.29Å; P1302-V1305 PolarHBondContact O-N 2.84Å; P1302-V1305 VanDerWaalsContact O-N 3.12Å; P1302-R1306 WeakPolarHBondContact O-CB 3.42Å; P1302-R1306 WeakPolarHBondContact O-CG 3.49Å; P1302-R1306 PolarHBondContact O-N 2.89Å |
| 1303 | G | 74.9 | Confident | 84.7 | Confident | 26 Ų | 26 | 31.6 Ų | 31.6 | 27% | 0.268 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.2 | -17.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1265 R1301 | R1265-G1303 PolarHBondContact NH2-O 3.35Å; R1301-G1303 PolarHBondContact O-N 2.92Å; R1301-G1303 VanDerWaalsContact O-N 3.11Å |
| 1304 | L | 82 | Confident | 83.8 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -84.6 | -36.6 | 172.3 | -69.8 | 176.3 | 0 | 0 | 0 | 112.4 | L1215 E1261 L1264 R1265 L1272 V1297 R1301 P1302 L1308 | L1215-L1304 HydrophobicContact CD2-CD1 4.28Å; E1261-L1304 HydrophobicContact CB-CD2 4.42Å; E1261-L1304 HydrophobicContact CG-CD1 4.31Å; E1261-L1304 HydrophobicContact CG-CD2 4.41Å; L1264-L1304 HydrophobicContact CD1-CD1 3.94Å; R1265-L1304 HydrophobicContact CG-CD2 3.61Å; L1272-L1304 HydrophobicContact CD2-CB 3.87Å; V1297-L1304 HydrophobicContact CG1-CB 3.94Å; R1301-L1304 HydrophobicContact CB-CB 4.35Å; R1301-L1304 HydrophobicContact CB-CD1 3.69Å; R1301-L1304 HydrophobicContact CB-CG 4.01Å; R1301-L1304 HydrophobicContact CG-CD1 4.13Å; R1301-L1304 WeakPolarHBondContact O-CB 3.32Å; R1301-L1304 PolarHBondContact O-N 3.35Å; P1302-L1304 PolarHBondContact O-N 2.86Å; P1302-L1304 VanDerWaalsContact O-N 3.15Å; L1304-L1308 WeakPolarHBondContact O-CD1 3.39Å; L1304-L1308 WeakPolarHBondContact O-CG 3.46Å |
| 1305 | V | 86 | Confident | 82.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -87.5 | -33.4 | -175.7 | 77.9 | 0 | 0 | 0 | 0 | 113 | L1276 L1294 V1297 A1298 P1302 P1307 L1308 L1309 L1324 | L1276-V1305 HydrophobicContact CD1-CG2 4.3Å; L1294-V1305 HydrophobicContact CD1-CG2 3.43Å; L1294-V1305 VanDerWaalsContact CD1-CG2 3.43Å; V1297-V1305 HydrophobicContact CG1-CB 3.85Å; A1298-V1305 HydrophobicContact CB-CG1 4.25Å; P1302-V1305 WeakPolarHBondContact O-CG1 3.29Å; P1302-V1305 PolarHBondContact O-N 2.84Å; P1302-V1305 VanDerWaalsContact O-N 3.12Å; V1305-P1307 VanDerWaalsContact C-CD 3.5Å; V1305-L1308 WeakPolarHBondContact O-CA 3.42Å; V1305-L1308 WeakPolarHBondContact O-CB 3.46Å; V1305-L1308 PolarHBondContact O-N 3.11Å; V1305-L1309 HydrophobicContact CG2-CD2 3.85Å; V1305-L1309 HydrophobicContact CG2-CG 4.2Å; V1305-L1309 PolarHBondContact O-N 3.35Å; V1305-L1309 VanDerWaalsContact O-N 3.16Å; V1305-L1324 HydrophobicContact CG2-CD2 4.47Å |
| 1306 | R | 81.5 | Confident | 81.2 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 14% | 0.143 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45 | -49.3 | -178.8 | -82.6 | 167.4 | 172.9 | -90.8 | 2.8 | 114.7 | E500 P1302 L1308 T1371 C1372 D1374 | E500-R1306 IonicContact OE1-CZ 2.98Å; E500-R1306 IonicContact OE1-NE 3.61Å; E500-R1306 IonicContact OE1-NH1 2.89Å; P1302-R1306 WeakPolarHBondContact O-CB 3.42Å; P1302-R1306 WeakPolarHBondContact O-CG 3.49Å; P1302-R1306 PolarHBondContact O-N 2.89Å; R1306-L1308 VanDerWaalsContact C-N 3.27Å; R1306-L1308 PolarHBondContact O-N 3Å; R1306-T1371 VanDerWaalsContact CZ-O 3.23Å; R1306-T1371 PolarHBondContact NE-O 3.33Å; R1306-T1371 PolarHBondContact NH2-O 3.24Å; R1306-C1372 HydrophobicContact CG-CB 4.48Å; R1306-D1374 IonicContact CZ-OD1 3.39Å; R1306-D1374 VanDerWaalsContact NH1-CG 3.33Å; R1306-D1374 IonicContact NH1-OD1 2.96Å; R1306-D1374 PolarHBondContact NH1-OD1 3.34Å; R1306-D1374 IonicContact NH1-OD2 3.49Å; R1306-D1374 PolarHBondContact NH1-OD2 3.18Å; R1306-D1374 IonicContact NH2-OD1 2.99Å |
| 1307 | P | 79 | Confident | 79.9 | Confident | 80 Ų | 80 | 49.1 Ų | 49.1 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -19.5 | 178.7 | 28.6 | -34.5 | 0 | 0 | 0 | 113.1 | V1305 I1311 | V1305-P1307 VanDerWaalsContact C-CD 3.5Å; P1307-I1311 VanDerWaalsContact O-CD1 3.32Å; P1307-I1311 WeakPolarHBondContact O-CD1 3.4Å; P1307-I1311 WeakPolarHBondContact O-CG1 3.3Å |
| 1308 | L | 85 | Confident | 78.9 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -24.8 | -173.8 | -57.5 | -177.1 | 0 | 0 | 0 | 113.9 | P1270 L1272 I1273 L1276 L1304 V1305 R1306 N1310 I1311 | P1270-L1308 HydrophobicContact CB-CD2 4.21Å; P1270-L1308 HydrophobicContact CG-CD2 3.89Å; L1272-L1308 HydrophobicContact CB-CD1 4.08Å; L1272-L1308 HydrophobicContact CD2-CD1 3.81Å; L1272-L1308 HydrophobicContact CG-CD1 3.95Å; I1273-L1308 HydrophobicContact CD1-CB 4.12Å; I1273-L1308 HydrophobicContact CD1-CD2 4.41Å; L1276-L1308 HydrophobicContact CD1-CD1 4.27Å; L1304-L1308 WeakPolarHBondContact O-CD1 3.39Å; L1304-L1308 WeakPolarHBondContact O-CG 3.46Å; V1305-L1308 WeakPolarHBondContact O-CA 3.42Å; V1305-L1308 WeakPolarHBondContact O-CB 3.46Å; V1305-L1308 PolarHBondContact O-N 3.11Å; R1306-L1308 VanDerWaalsContact C-N 3.27Å; R1306-L1308 PolarHBondContact O-N 3Å; L1308-N1310 VanDerWaalsContact C-N 3.28Å; L1308-N1310 PolarHBondContact O-N 3.22Å; L1308-I1311 HydrophobicContact CD2-CD1 3.69Å; L1308-I1311 PolarHBondContact O-N 3.35Å |
| 1309 | L | 86.4 | Confident | 78 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -39.5 | -171 | -73.3 | 174 | 0 | 0 | 0 | 114 | V1305 L1324 L1325 L1368 C1372 K1375 | V1305-L1309 HydrophobicContact CG2-CD2 3.85Å; V1305-L1309 HydrophobicContact CG2-CG 4.2Å; V1305-L1309 PolarHBondContact O-N 3.35Å; V1305-L1309 VanDerWaalsContact O-N 3.16Å; L1309-L1324 HydrophobicContact CD2-CD2 4.37Å; L1309-L1324 PolarHBondContact O-N 2.89Å; L1309-L1325 HydrophobicContact CB-CD1 4.31Å; L1309-L1325 HydrophobicContact CB-CG 4.1Å; L1309-L1325 HydrophobicContact CD2-CD2 3.98Å; L1309-L1325 HydrophobicContact CD2-CG 4.31Å; L1309-L1325 PolarHBondContact O-N 3.5Å; L1309-L1368 HydrophobicContact CD1-CD2 4.1Å; L1309-L1368 HydrophobicContact CD2-CD1 4.26Å; L1309-L1368 HydrophobicContact CD2-CD2 4Å; L1309-C1372 HydrophobicContact CD1-CB 3.84Å; L1309-K1375 HydrophobicContact CD1-CB 3.87Å; L1309-K1375 HydrophobicContact CD1-CG 4.36Å |
| 1310 | N | 83.1 | Confident | 77.4 | Confident | 78 Ų | 78 | 59.3 Ų | 59.3 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 10.4 | -175.2 | -68.6 | -37 | 0 | 0 | 0 | 113.6 | L1308 L1325 K1375 | L1308-N1310 VanDerWaalsContact C-N 3.28Å; L1308-N1310 PolarHBondContact O-N 3.22Å; N1310-L1325 WeakPolarHBondContact OD1-CD1 3.32Å; N1310-K1375 PolarHBondContact ND2-O 2.79Å |
| 1311 | I | 81.8 | Confident | 77.3 | Confident | 53 Ų | 53 | 61.3 Ų | 61.3 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -71.2 | 134.3 | 176 | -64.6 | -178 | 0 | 0 | 0 | 108.8 | P1307 L1308 I1313 | P1307-I1311 VanDerWaalsContact O-CD1 3.32Å; P1307-I1311 WeakPolarHBondContact O-CD1 3.4Å; P1307-I1311 WeakPolarHBondContact O-CG1 3.3Å; L1308-I1311 HydrophobicContact CD2-CD1 3.69Å; L1308-I1311 PolarHBondContact O-N 3.35Å; I1311-I1313 PolarHBondContact O-N 2.75Å |
| 1312 | P | 80.2 | Confident | 77.4 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 120.6 | 174.5 | 25.3 | -32.4 | 0 | 0 | 0 | 110.7 | T1321 | P1312-T1321 HydrophobicContact CB-CG2 4.33Š|
| 1313 | I | 80.4 | Confident | 77.9 | Confident | 24 Ų | 24 | 60.3 Ų | 60.3 | 12% | 0.123 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127.1 | 173.6 | -55.7 | 171.9 | 0 | 0 | 0 | 107.3 | I1273 I1311 L1315 T1321 S1322 L1324 L1327 | I1273-I1313 HydrophobicContact CD1-CD1 4.2Å; I1273-I1313 HydrophobicContact CD1-CG1 4.47Å; I1311-I1313 PolarHBondContact O-N 2.75Å; I1313-L1315 PolarHBondContact O-N 3.3Å; I1313-T1321 WeakPolarHBondContact O-CA 3.27Å; I1313-S1322 WeakPolarHBondContact CA-O 3.38Å; I1313-S1322 WeakPolarHBondContact CB-O 3.2Å; I1313-S1322 PolarHBondContact N-O 3.2Å; I1313-S1322 PolarHBondContact O-N 3.26Å; I1313-L1324 HydrophobicContact CD1-CB 4.2Å; I1313-L1324 HydrophobicContact CD1-CD1 4.37Å; I1313-L1327 HydrophobicContact CD1-CD1 4.16Å |
| 1314 | Q | 74 | Confident | 78.6 | Confident | 168 Ų | 168 | 59.1 Ų | 59.1 | 79% | 0.785 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 121.7 | 172 | -73.7 | 179 | -9.5 | 0 | 0 | 109.4 | T1321 | Q1314-T1321 HydrophobicContact CG-CG2 4.36Å |
| 1315 | L | 69.9 | Low | 78.9 | Confident | 43 Ų | 43 | 59.5 Ų | 59.5 | 23% | 0.225 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 138.9 | 177.6 | -73.6 | 164.4 | 0 | 0 | 0 | 110.4 | A1280 I1313 G1317 S1318 Q1320 L1327 | A1280-L1315 HydrophobicContact CB-CD2 3.73Å; I1313-L1315 PolarHBondContact O-N 3.3Å; L1315-G1317 PolarHBondContact O-N 3.24Å; L1315-G1317 VanDerWaalsContact O-N 3.13Å; L1315-S1318 WeakPolarHBondContact CB-OG 3.41Å; L1315-S1318 PolarHBondContact O-N 2.98Å; L1315-Q1320 HydrophobicContact CD1-CB 4.48Å; L1315-L1327 HydrophobicContact CD2-CD2 4.07Å |
| 1316 | P | 66.1 | Low | 79 | Confident | 107 Ų | 107 | 63.1 Ų | 63.1 | 70% | 0.695 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 118.8 | 176 | -19.3 | 29.8 | 0 | 0 | 0 | 111.1 | ||
| 1317 | G | 63.8 | Low | 79.5 | Confident | 94 Ų | 94 | 62.1 Ų | 62.1 | 97% | 0.969 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 9.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | L1315 | L1315-G1317 PolarHBondContact O-N 3.24Å; L1315-G1317 VanDerWaalsContact O-N 3.13Å |
| 1318 | S | 69.1 | Low | 80.1 | Confident | 55 Ų | 55 | 58.3 Ų | 58.3 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | trans | -127.6 | 153.5 | 173.4 | 88.1 | 0 | 0 | 0 | 0 | 111.9 | L1315 Q1320 | L1315-S1318 WeakPolarHBondContact CB-OG 3.41Å; L1315-S1318 PolarHBondContact O-N 2.98Å; S1318-Q1320 PolarHBondContact O-N 3.41Å; S1318-Q1320 PolarHBondContact OG-N 3.24Å | ||
| 1319 | S | 67.9 | Low | 80.4 | Confident | 126 Ų | 126 | 59.6 Ų | 59.6 | 88% | 0.881 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -80.6 | -0.6 | 172 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1320 | Q | 72.7 | Confident | 80.5 | Confident | 141 Ų | 141 | 62.1 Ų | 62.1 | 66% | 0.659 | 38% | 0.383 | S | S | * | . | trans | -84.9 | 137.4 | -178.2 | -66.2 | -178.4 | -2.9 | 0 | 0 | 110 | L1315 S1318 | L1315-Q1320 HydrophobicContact CD1-CB 4.48Å; S1318-Q1320 PolarHBondContact O-N 3.41Å; S1318-Q1320 PolarHBondContact OG-N 3.24Å | ||
| 1321 | T | 77.2 | Confident | 81 | Confident | 92 Ų | 92 | 58.8 Ų | 58.8 | 56% | 0.564 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 138.8 | 169.2 | 51.8 | 0 | 0 | 0 | 0 | 108.4 | P1312 I1313 Q1314 | P1312-T1321 HydrophobicContact CB-CG2 4.33Å; I1313-T1321 WeakPolarHBondContact O-CA 3.27Å; Q1314-T1321 HydrophobicContact CG-CG2 4.36Å |
| 1322 | S | 84.8 | Confident | 81.5 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 154.9 | 177.9 | -171.5 | 0 | 0 | 0 | 0 | 108.6 | I1313 D1326 | I1313-S1322 WeakPolarHBondContact CA-O 3.38Å; I1313-S1322 WeakPolarHBondContact CB-O 3.2Å; I1313-S1322 PolarHBondContact N-O 3.2Å; I1313-S1322 PolarHBondContact O-N 3.26Å; S1322-D1326 VanDerWaalsContact OG-CB 3.32Å; S1322-D1326 WeakPolarHBondContact OG-CB 3.22Å |
| 1323 | T | 89.3 | Confident | 82.1 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 15% | 0.147 | 35% | 0.352 | C | S | . | . | trans | -98 | 167.6 | 175.2 | 66.8 | 0 | 0 | 0 | 0 | 111.3 | L1325 D1326 L1327 | T1323-L1325 PolarHBondContact O-N 2.9Å; T1323-D1326 WeakPolarHBondContact CB-OD2 3.47Å; T1323-D1326 PolarHBondContact N-OD2 3.43Å; T1323-D1326 PolarHBondContact O-N 3.31Å; T1323-D1326 PolarHBondContact OG1-N 3.48Å; T1323-D1326 VanDerWaalsContact OG1-N 3.12Å; T1323-D1326 PolarHBondContact OG1-OD2 3.34Å; T1323-L1327 WeakPolarHBondContact O-CG 3.45Å; T1323-L1327 PolarHBondContact O-N 2.92Å | ||
| 1324 | L | 90.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.6 | -33.2 | 175.3 | -168.1 | 63 | 0 | 0 | 0 | 111.6 | L1276 L1279 L1294 V1305 L1309 I1313 L1328 | L1276-L1324 HydrophobicContact CB-CD1 4.24Å; L1276-L1324 HydrophobicContact CB-CD2 4.14Å; L1276-L1324 HydrophobicContact CD1-CD2 4.14Å; L1279-L1324 HydrophobicContact CB-CD1 4.42Å; L1279-L1324 HydrophobicContact CD2-CD1 4.08Å; L1294-L1324 HydrophobicContact CD1-CD2 3.59Å; L1294-L1324 HydrophobicContact CD1-CG 4.42Å; L1294-L1324 HydrophobicContact CD2-CD1 4.28Å; L1294-L1324 HydrophobicContact CD2-CD2 4.05Å; L1294-L1324 HydrophobicContact CD2-CG 3.97Å; L1294-L1324 HydrophobicContact CG-CD2 4.45Å; V1305-L1324 HydrophobicContact CG2-CD2 4.47Å; L1309-L1324 HydrophobicContact CD2-CD2 4.37Å; L1309-L1324 PolarHBondContact O-N 2.89Å; I1313-L1324 HydrophobicContact CD1-CB 4.2Å; I1313-L1324 HydrophobicContact CD1-CD1 4.37Å; L1324-L1328 WeakPolarHBondContact O-CB 3.48Å; L1324-L1328 PolarHBondContact O-N 3.18Å |
| 1325 | L | 88.9 | Confident | 83.3 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 173.1 | -73.1 | -178.3 | 0 | 0 | 0 | 112.5 | L1309 N1310 T1323 L1327 L1328 C1329 L1368 L1376 | L1309-L1325 HydrophobicContact CB-CD1 4.31Å; L1309-L1325 HydrophobicContact CB-CG 4.1Å; L1309-L1325 HydrophobicContact CD2-CD2 3.98Å; L1309-L1325 HydrophobicContact CD2-CG 4.31Å; L1309-L1325 PolarHBondContact O-N 3.5Å; N1310-L1325 WeakPolarHBondContact OD1-CD1 3.32Å; T1323-L1325 PolarHBondContact O-N 2.9Å; L1325-L1327 VanDerWaalsContact C-N 3.32Å; L1325-L1327 PolarHBondContact O-N 3.46Å; L1325-L1328 HydrophobicContact CD2-CD2 4.36Å; L1325-L1328 WeakPolarHBondContact O-CB 3.24Å; L1325-L1328 PolarHBondContact O-N 2.72Å; L1325-C1329 WeakPolarHBondContact O-CB 3.4Å; L1325-C1329 PolarHBondContact O-N 2.99Å; L1325-C1329 PolarHBondContact O-SG 3.41Å; L1325-L1368 HydrophobicContact CD2-CD1 3.95Å; L1325-L1376 HydrophobicContact CD1-CD2 4.01Å; L1325-L1376 HydrophobicContact CD2-CD2 3.75Å |
| 1326 | D | 88.8 | Confident | 84.1 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 176.8 | -61.8 | -40 | 0 | 0 | 0 | 111 | S1322 T1323 C1329 A1330 | S1322-D1326 VanDerWaalsContact OG-CB 3.32Å; S1322-D1326 WeakPolarHBondContact OG-CB 3.22Å; T1323-D1326 WeakPolarHBondContact CB-OD2 3.47Å; T1323-D1326 PolarHBondContact N-OD2 3.43Å; T1323-D1326 PolarHBondContact O-N 3.31Å; T1323-D1326 PolarHBondContact OG1-N 3.48Å; T1323-D1326 VanDerWaalsContact OG1-N 3.12Å; T1323-D1326 PolarHBondContact OG1-OD2 3.34Å; D1326-C1329 PolarHBondContact O-N 3.39Å; D1326-A1330 WeakPolarHBondContact O-CB 3.39Å; D1326-A1330 PolarHBondContact O-N 3.42Å |
| 1327 | L | 90.7 | Very high | 85.2 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 174.3 | -69.6 | 174.2 | 0 | 0 | 0 | 111.7 | L1279 A1280 I1313 L1315 T1323 L1325 A1330 E1331 | L1279-L1327 HydrophobicContact CB-CB 4.35Å; L1279-L1327 HydrophobicContact CB-CD1 4.32Å; L1279-L1327 HydrophobicContact CD2-CB 3.64Å; L1279-L1327 HydrophobicContact CG-CB 3.98Å; A1280-L1327 HydrophobicContact CB-CD1 4.06Å; A1280-L1327 HydrophobicContact CB-CD2 4.07Å; I1313-L1327 HydrophobicContact CD1-CD1 4.16Å; L1315-L1327 HydrophobicContact CD2-CD2 4.07Å; T1323-L1327 WeakPolarHBondContact O-CG 3.45Å; T1323-L1327 PolarHBondContact O-N 2.92Å; L1325-L1327 VanDerWaalsContact C-N 3.32Å; L1325-L1327 PolarHBondContact O-N 3.46Å; L1327-A1330 WeakPolarHBondContact O-CB 3.44Å; L1327-A1330 PolarHBondContact O-N 3.02Å; L1327-E1331 PolarHBondContact O-N 3.1Å; L1327-E1331 VanDerWaalsContact O-N 3.15Å |
| 1328 | L | 92.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60 | -48 | 174.6 | 173.9 | 66.4 | 0 | 0 | 0 | 111.7 | L1279 L1291 L1324 L1325 A1330 E1331 A1361 C1364 M1365 L1368 | L1279-L1328 HydrophobicContact CD2-CB 4.42Å; L1291-L1328 HydrophobicContact CD1-CD1 3.45Å; L1291-L1328 VanDerWaalsContact CD1-CD1 3.45Å; L1324-L1328 WeakPolarHBondContact O-CB 3.48Å; L1324-L1328 PolarHBondContact O-N 3.18Å; L1325-L1328 HydrophobicContact CD2-CD2 4.36Å; L1325-L1328 WeakPolarHBondContact O-CB 3.24Å; L1325-L1328 PolarHBondContact O-N 2.72Å; L1328-A1330 VanDerWaalsContact C-N 3.31Å; L1328-A1330 PolarHBondContact O-N 3.33Å; L1328-E1331 PolarHBondContact O-N 3.17Å; L1328-E1331 VanDerWaalsContact O-N 3.15Å; L1328-A1361 HydrophobicContact CD1-CB 4.01Å; L1328-C1364 HydrophobicContact CD1-CB 4.01Å; L1328-M1365 HydrophobicContact CD1-CG 4.46Å; L1328-M1365 HydrophobicContact CD2-CG 3.87Å; L1328-M1365 HydrophobicContact CG-CG 4.14Å; L1328-L1368 HydrophobicContact CD2-CD1 3.48Å; L1328-L1368 VanDerWaalsContact CD2-CD1 3.48Å |
| 1329 | C | 90.6 | Very high | 87.4 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 20% | 0.203 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 177.3 | -70.6 | 0 | 0 | 0 | 0 | 111.5 | L1325 D1326 E1331 T1332 | L1325-C1329 WeakPolarHBondContact O-CB 3.4Å; L1325-C1329 PolarHBondContact O-N 2.99Å; L1325-C1329 PolarHBondContact O-SG 3.41Å; D1326-C1329 PolarHBondContact O-N 3.39Å; C1329-E1331 PolarHBondContact O-N 3.49Å; C1329-T1332 WeakPolarHBondContact O-CB 3.34Å; C1329-T1332 PolarHBondContact O-N 2.92Å; C1329-T1332 PolarHBondContact O-OG1 3.41Å |
| 1330 | A | 89.5 | Confident | 88.5 | Confident | 53 Ų | 53 | 58 Ų | 58 | 44% | 0.438 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.6 | -33.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1326 L1327 L1328 T1332 V1333 | D1326-A1330 WeakPolarHBondContact O-CB 3.39Å; D1326-A1330 PolarHBondContact O-N 3.42Å; L1327-A1330 WeakPolarHBondContact O-CB 3.44Å; L1327-A1330 PolarHBondContact O-N 3.02Å; L1328-A1330 VanDerWaalsContact C-N 3.31Å; L1328-A1330 PolarHBondContact O-N 3.33Å; A1330-T1332 PolarHBondContact O-N 2.91Å; A1330-V1333 PolarHBondContact O-N 3.22Å |
| 1331 | E | 92.6 | Very high | 89.2 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -5.9 | 175.1 | -65.8 | -54.3 | 159.6 | 0 | 0 | 114.4 | L1279 R1287 L1327 L1328 C1329 R1335 L1357 R1358 A1361 | L1279-E1331 HydrophobicContact CD1-CG 4.1Å; L1279-E1331 HydrophobicContact CG-CG 4.46Å; R1287-E1331 VanDerWaalsContact CD-OE1 3.27Å; R1287-E1331 WeakPolarHBondContact CD-OE1 3.29Å; R1287-E1331 IonicContact CZ-OE1 3.18Å; R1287-E1331 IonicContact NE-OE1 3.17Å; R1287-E1331 IonicContact NH1-OE1 2.81Å; R1287-E1331 PolarHBondContact NH1-OE1 3.46Å; R1287-E1331 IonicContact NH1-OE2 3.66Å; L1327-E1331 PolarHBondContact O-N 3.1Å; L1327-E1331 VanDerWaalsContact O-N 3.15Å; L1328-E1331 PolarHBondContact O-N 3.17Å; L1328-E1331 VanDerWaalsContact O-N 3.15Å; C1329-E1331 PolarHBondContact O-N 3.49Å; E1331-R1335 IonicContact OE1-NH2 2.78Å; E1331-R1335 IonicContact OE2-CZ 3.98Å; E1331-R1335 IonicContact OE2-NH2 3.68Å; E1331-R1335 PolarHBondContact OE2-NH2 3.22Å; E1331-L1357 WeakPolarHBondContact OE2-CD2 3.28Å; E1331-R1358 WeakPolarHBondContact O-CG 3.37Å; E1331-A1361 HydrophobicContact CB-CB 4.09Å |
| 1332 | T | 92.7 | Very high | 89.6 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 6% | 0.061 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -12.4 | 172.9 | 67.7 | 0 | 0 | 0 | 0 | 113.4 | C1329 A1330 A1361 F1362 M1365 S1384 | C1329-T1332 WeakPolarHBondContact O-CB 3.34Å; C1329-T1332 PolarHBondContact O-N 2.92Å; C1329-T1332 PolarHBondContact O-OG1 3.41Å; A1330-T1332 PolarHBondContact O-N 2.91Å; T1332-A1361 HydrophobicContact CG2-CB 4.15Å; T1332-F1362 HydrophobicContact CG2-CD2 4.4Å; T1332-F1362 HydrophobicContact CG2-CE2 4.02Å; T1332-F1362 HydrophobicContact CG2-CZ 4.33Å; T1332-M1365 HydrophobicContact CG2-SD 3.53Å; T1332-M1365 VanDerWaalsContact CG2-SD 3.53Å; T1332-S1384 WeakPolarHBondContact OG1-CB 3.49Å; T1332-S1384 PolarHBondContact OG1-OG 2.98Å; T1332-S1384 VanDerWaalsContact OG1-OG 3.14Å |
| 1333 | V | 92 | Very high | 89.6 | Confident | 85 Ų | 85 | 59.9 Ų | 59.9 | 52% | 0.515 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -85.9 | 134 | -172.7 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | A1330 R1335 | A1330-V1333 PolarHBondContact O-N 3.22Å; V1333-R1335 PolarHBondContact O-N 3.42Å |
| 1334 | I | 90.8 | Very high | 89.2 | Confident | 77 Ų | 77 | 64.1 Ų | 64.1 | 40% | 0.395 | 32% | 0.32 | S | S | . | . | trans | -68.4 | 119.7 | 174.4 | -55 | 173.3 | 0 | 0 | 0 | 109.5 | I1339 D1391 | I1334-I1339 HydrophobicContact CG2-CD1 3.79Å; I1334-D1391 HydrophobicContact CD1-CB 4.08Å; I1334-D1391 WeakPolarHBondContact CG1-OD2 3.44Å | ||
| 1335 | R | 89.5 | Confident | 89 | Confident | 43 Ų | 43 | 67.4 Ų | 67.4 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | trans | -105.2 | 113.1 | -178 | -77.3 | -176.6 | -76.7 | 148.4 | -8.2 | 110.5 | R1287 E1331 V1333 E1337 L1338 | R1287-R1335 VanDerWaalsContact NH1-CZ 3.31Å; E1331-R1335 IonicContact OE1-NH2 2.78Å; E1331-R1335 IonicContact OE2-CZ 3.98Å; E1331-R1335 IonicContact OE2-NH2 3.68Å; E1331-R1335 PolarHBondContact OE2-NH2 3.22Å; V1333-R1335 PolarHBondContact O-N 3.42Å; R1335-E1337 HydrophobicContact CB-CG 4.47Å; R1335-E1337 WeakPolarHBondContact CB-OE1 3.4Å; R1335-E1337 WeakPolarHBondContact CD-OE1 3.41Å; R1335-E1337 PolarHBondContact O-N 2.82Å; R1335-L1338 HydrophobicContact CB-CD1 4.09Å; R1335-L1338 HydrophobicContact CB-CG 4.05Å; R1335-L1338 PolarHBondContact O-N 2.96Å | ||
| 1336 | K | 87.2 | Confident | 88.7 | Confident | 180 Ų | 180 | 72.5 Ų | 72.5 | 78% | 0.783 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -64.2 | -30.5 | -173.4 | -67.8 | -175.3 | -179.8 | 180 | 0 | 112.6 | L1338 I1339 | K1336-L1338 PolarHBondContact O-N 2.81Å; K1336-I1339 PolarHBondContact O-N 2.88Å; K1336-I1339 VanDerWaalsContact O-N 3.14Å |
| 1337 | E | 89.6 | Confident | 88.1 | Confident | 143 Ų | 143 | 76 Ų | 76 | 67% | 0.668 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -65.1 | -16.1 | 175.6 | 65.8 | -85.1 | -163.9 | 0 | 0 | 113.7 | R1335 | R1335-E1337 HydrophobicContact CB-CG 4.47Å; R1335-E1337 WeakPolarHBondContact CB-OE1 3.4Å; R1335-E1337 WeakPolarHBondContact CD-OE1 3.41Å; R1335-E1337 PolarHBondContact O-N 2.82Å |
| 1338 | L | 88.3 | Confident | 87.7 | Confident | 26 Ų | 26 | 81.2 Ų | 81.2 | 14% | 0.136 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -98 | -0.7 | 175.7 | -58 | -173.7 | 0 | 0 | 0 | 113.5 | L1284 R1335 K1336 D1353 | L1284-L1338 HydrophobicContact CD1-CD1 4.27Å; L1284-L1338 HydrophobicContact CD1-CD2 3.9Å; L1284-L1338 HydrophobicContact CD2-CD1 3.75Å; L1284-L1338 HydrophobicContact CD2-CD2 4.38Å; R1335-L1338 HydrophobicContact CB-CD1 4.09Å; R1335-L1338 HydrophobicContact CB-CG 4.05Å; R1335-L1338 PolarHBondContact O-N 2.96Å; K1336-L1338 PolarHBondContact O-N 2.81Å; L1338-D1353 PolarHBondContact O-N 3.5Å |
| 1339 | I | 90.3 | Very high | 87.2 | Confident | 60 Ų | 60 | 85.3 Ų | 85.3 | 31% | 0.308 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 111.7 | 179 | -56.6 | 173.9 | 0 | 0 | 0 | 107.9 | I1334 K1336 H1350 E1351 D1352 | I1334-I1339 HydrophobicContact CG2-CD1 3.79Å; K1336-I1339 PolarHBondContact O-N 2.88Å; K1336-I1339 VanDerWaalsContact O-N 3.14Å; I1339-H1350 HydrophobicContact CG2-CB 4.15Å; I1339-E1351 CarbonylContact C-O 3.5Å; I1339-E1351 WeakPolarHBondContact CA-O 3.25Å; I1339-D1352 HydrophobicContact CG1-CB 4.23Å |
| 1340 | R | 90.4 | Very high | 86.8 | Confident | 119 Ų | 119 | 89.4 Ų | 89.4 | 45% | 0.449 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 137.2 | 177.3 | 56.6 | -171.8 | 168.2 | 102 | 14.8 | 111.4 | V1342 E1351 D1353 | R1340-V1342 HydrophobicContact CG-CG2 4.47Å; R1340-E1351 HydrophobicContact CG-CB 4.04Å; R1340-E1351 IonicContact CZ-OE2 2.62Å; R1340-E1351 PolarHBondContact N-O 2.88Å; R1340-E1351 IonicContact NE-OE2 2.76Å; R1340-E1351 IonicContact NH1-OE2 3.59Å; R1340-E1351 PolarHBondContact NH1-OE2 3.29Å; R1340-E1351 VanDerWaalsContact NH1-OE2 3.17Å; R1340-E1351 IonicContact NH2-OE2 2.89Å; R1340-E1351 PolarHBondContact NH2-OE2 3.25Å; R1340-E1351 PolarHBondContact O-N 2.97Å; R1340-D1353 WeakPolarHBondContact CD-OD2 3.23Å; R1340-D1353 IonicContact CZ-OD1 2.68Å; R1340-D1353 IonicContact CZ-OD2 2.99Å; R1340-D1353 IonicContact NE-OD1 3.69Å; R1340-D1353 PolarHBondContact NE-OD1 2.98Å; R1340-D1353 IonicContact NE-OD2 3.3Å; R1340-D1353 PolarHBondContact NE-OD2 3.4Å; R1340-D1353 IonicContact NH2-OD1 3.69Å; R1340-D1353 PolarHBondContact NH2-OD1 3.12Å; R1340-D1353 IonicContact NH2-OD2 3.94Å |
| 1341 | E | 86.8 | Confident | 86.7 | Confident | 103 Ų | 103 | 89.8 Ų | 89.8 | 48% | 0.481 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 117 | 175.1 | -168.1 | 174.3 | -147.4 | 0 | 0 | 108.8 | K1348 H1350 | E1341-K1348 HydrophobicContact CG-CB 4.15Å; E1341-K1348 HydrophobicContact CG-CD 4.25Å; E1341-K1348 WeakPolarHBondContact OE1-CD 3.42Å; E1341-K1348 IonicContact OE1-NZ 3.31Å; E1341-K1348 IonicContact OE2-NZ 3.63Å; E1341-H1350 IonicContact OE1-CE1 2.64Å |
| 1342 | V | 86.5 | Confident | 86.6 | Confident | 43 Ų | 43 | 91.3 Ų | 91.3 | 26% | 0.261 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.8 | 179.7 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | R1340 M1344 H1349 E1351 | R1340-V1342 HydrophobicContact CG-CG2 4.47Å; V1342-M1344 HydrophobicContact CG1-CG 4.45Å; V1342-M1344 PolarHBondContact O-N 3.47Å; V1342-H1349 PolarHBondContact N-O 3.33Å; V1342-H1349 PolarHBondContact O-N 3.07Å; V1342-E1351 HydrophobicContact CG2-CB 4.41Å; V1342-E1351 HydrophobicContact CG2-CG 4.01Å |
| 1343 | E | 84.4 | Confident | 86.5 | Confident | 146 Ų | 146 | 94.7 Ų | 94.7 | 68% | 0.682 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 116.5 | 175 | -68.1 | -170.7 | 160.3 | 0 | 0 | 110.5 | ||
| 1344 | M | 81.6 | Confident | 86.5 | Confident | 113 Ų | 113 | 90.7 Ų | 90.7 | 56% | 0.557 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 68.6 | 174.5 | -66.2 | -144.9 | -70.6 | 0 | 0 | 109.9 | V1342 P1346 F1347 H1349 | V1342-M1344 HydrophobicContact CG1-CG 4.45Å; V1342-M1344 PolarHBondContact O-N 3.47Å; M1344-P1346 WeakPolarHBondContact O-CD 3.41Å; M1344-F1347 PolarHBondContact N-O 3Å; M1344-F1347 PolarHBondContact O-N 2.7Å; M1344-H1349 HydrophobicContact CE-CB 4.04Å; M1344-H1349 HydrophobicContact CG-CB 4.45Å |
| 1345 | G | 85.7 | Confident | 86.5 | Confident | 68 Ų | 68 | 88.3 Ų | 88.3 | 70% | 0.701 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | -119 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1347 | G1345-F1347 PolarHBondContact O-N 3.23Š|
| 1346 | P | 83.2 | Confident | 86.6 | Confident | 121 Ų | 121 | 90.7 Ų | 90.7 | 79% | 0.786 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -5.1 | 177.7 | 32 | -33.4 | 0 | 0 | 0 | 113.8 | M1344 | M1344-P1346 WeakPolarHBondContact O-CD 3.41Š|
| 1347 | F | 75.2 | Confident | 86.9 | Confident | 151 Ų | 151 | 82.4 Ų | 82.4 | 66% | 0.662 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 148.3 | -177.2 | -57.5 | -75.1 | 0 | 0 | 0 | 112.1 | M1344 G1345 | M1344-F1347 PolarHBondContact N-O 3Å; M1344-F1347 PolarHBondContact O-N 2.7Å; G1345-F1347 PolarHBondContact O-N 3.23Å |
| 1348 | K | 83.4 | Confident | 87.1 | Confident | 125 Ų | 125 | 75.8 Ų | 75.8 | 54% | 0.543 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.6 | 171.1 | -56.6 | -160.3 | 179.9 | -170.2 | 0 | 109.6 | E1341 | E1341-K1348 HydrophobicContact CG-CB 4.15Å; E1341-K1348 HydrophobicContact CG-CD 4.25Å; E1341-K1348 WeakPolarHBondContact OE1-CD 3.42Å; E1341-K1348 IonicContact OE1-NZ 3.31Å; E1341-K1348 IonicContact OE2-NZ 3.63Å |
| 1349 | H | 82 | Confident | 87.4 | Confident | 87 Ų | 87 | 76.9 Ų | 76.9 | 40% | 0.403 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.4 | -179.6 | -178.4 | -98.5 | 0 | 0 | 0 | 109.6 | V1342 M1344 E1351 | V1342-H1349 PolarHBondContact N-O 3.33Å; V1342-H1349 PolarHBondContact O-N 3.07Å; M1344-H1349 HydrophobicContact CE-CB 4.04Å; M1344-H1349 HydrophobicContact CG-CB 4.45Å; H1349-E1351 WeakPolarHBondContact ND1-CG 3.19Å; H1349-E1351 IonicContact ND1-OE1 2.87Å |
| 1350 | H | 82.2 | Confident | 87.6 | Confident | 115 Ų | 115 | 75 Ų | 75 | 53% | 0.532 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 116.5 | 177.7 | -67.9 | 66.5 | 0 | 0 | 0 | 108.7 | I1339 E1341 | I1339-H1350 HydrophobicContact CG2-CB 4.15Å; E1341-H1350 IonicContact OE1-CE1 2.64Å |
| 1351 | E | 86.1 | Confident | 87.8 | Confident | 62 Ų | 62 | 69.4 Ų | 69.4 | 29% | 0.29 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 125.5 | 172.8 | -69.3 | -176.3 | -176.6 | 0 | 0 | 109.2 | I1339 R1340 V1342 H1349 | I1339-E1351 CarbonylContact C-O 3.5Å; I1339-E1351 WeakPolarHBondContact CA-O 3.25Å; R1340-E1351 HydrophobicContact CG-CB 4.04Å; R1340-E1351 IonicContact CZ-OE2 2.62Å; R1340-E1351 PolarHBondContact N-O 2.88Å; R1340-E1351 IonicContact NE-OE2 2.76Å; R1340-E1351 IonicContact NH1-OE2 3.59Å; R1340-E1351 PolarHBondContact NH1-OE2 3.29Å; R1340-E1351 VanDerWaalsContact NH1-OE2 3.17Å; R1340-E1351 IonicContact NH2-OE2 2.89Å; R1340-E1351 PolarHBondContact NH2-OE2 3.25Å; R1340-E1351 PolarHBondContact O-N 2.97Å; V1342-E1351 HydrophobicContact CG2-CB 4.41Å; V1342-E1351 HydrophobicContact CG2-CG 4.01Å; H1349-E1351 WeakPolarHBondContact ND1-CG 3.19Å; H1349-E1351 IonicContact ND1-OE1 2.87Å |
| 1352 | D | 91.2 | Very high | 88.2 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 21% | 0.214 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 99 | 178.5 | -177.3 | -13 | 0 | 0 | 0 | 109.5 | I1339 G1354 L1355 R1358 | I1339-D1352 HydrophobicContact CG1-CB 4.23Å; D1352-G1354 PolarHBondContact O-N 3.46Å; D1352-G1354 VanDerWaalsContact OD1-CA 3.3Å; D1352-G1354 WeakPolarHBondContact OD1-CA 3.28Å; D1352-G1354 PolarHBondContact OD1-N 3.47Å; D1352-L1355 HydrophobicContact CB-CB 4.22Å; D1352-L1355 WeakPolarHBondContact O-CB 3.38Å; D1352-L1355 PolarHBondContact O-N 2.87Å; D1352-L1355 PolarHBondContact OD1-N 3.38Å; D1352-R1358 IonicContact OD1-NH1 3.15Å; D1352-R1358 PolarHBondContact OD1-NH1 3.09Å; D1352-R1358 IonicContact OD2-CZ 3.33Å; D1352-R1358 IonicContact OD2-NH1 3.62Å; D1352-R1358 PolarHBondContact OD2-NH1 3.47Å; D1352-R1358 IonicContact OD2-NH2 3.55Å; D1352-R1358 PolarHBondContact OD2-NH2 3.29Å |
| 1353 | D | 89.6 | Confident | 88.6 | Confident | 81 Ų | 81 | 66.5 Ų | 66.5 | 43% | 0.433 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -12.4 | -179.8 | -62.2 | -37.7 | 0 | 0 | 0 | 111.8 | L1338 R1340 | L1338-D1353 PolarHBondContact O-N 3.5Å; R1340-D1353 WeakPolarHBondContact CD-OD2 3.23Å; R1340-D1353 IonicContact CZ-OD1 2.68Å; R1340-D1353 IonicContact CZ-OD2 2.99Å; R1340-D1353 IonicContact NE-OD1 3.69Å; R1340-D1353 PolarHBondContact NE-OD1 2.98Å; R1340-D1353 IonicContact NE-OD2 3.3Å; R1340-D1353 PolarHBondContact NE-OD2 3.4Å; R1340-D1353 IonicContact NH2-OD1 3.69Å; R1340-D1353 PolarHBondContact NH2-OD1 3.12Å; R1340-D1353 IonicContact NH2-OD2 3.94Å |
| 1354 | G | 91.8 | Very high | 89 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -10.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1352 D1356 L1357 R1358 | D1352-G1354 PolarHBondContact O-N 3.46Å; D1352-G1354 VanDerWaalsContact OD1-CA 3.3Å; D1352-G1354 WeakPolarHBondContact OD1-CA 3.28Å; D1352-G1354 PolarHBondContact OD1-N 3.47Å; G1354-D1356 PolarHBondContact O-N 3.35Å; G1354-L1357 WeakPolarHBondContact O-CB 3.4Å; G1354-L1357 PolarHBondContact O-N 2.97Å; G1354-R1358 WeakPolarHBondContact O-CG 3.5Å; G1354-R1358 PolarHBondContact O-N 3.32Å; G1354-R1358 VanDerWaalsContact O-N 3.13Å |
| 1355 | L | 92.7 | Very high | 89.6 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.6 | -45.8 | -172 | 177.3 | 61.4 | 0 | 0 | 0 | 113.1 | D1352 L1357 R1358 K1359 H1392 I1395 | D1352-L1355 HydrophobicContact CB-CB 4.22Å; D1352-L1355 WeakPolarHBondContact O-CB 3.38Å; D1352-L1355 PolarHBondContact O-N 2.87Å; D1352-L1355 PolarHBondContact OD1-N 3.38Å; L1355-L1357 VanDerWaalsContact C-N 3.29Å; L1355-L1357 PolarHBondContact O-N 3.47Å; L1355-R1358 PolarHBondContact O-N 3.34Å; L1355-K1359 WeakPolarHBondContact O-CG 3.5Å; L1355-K1359 PolarHBondContact O-N 3.48Å; L1355-H1392 HydrophobicContact CD1-CB 3.63Å; L1355-I1395 HydrophobicContact CD1-CG1 4.05Å |
| 1356 | D | 90.9 | Very high | 89.9 | Confident | 93 Ų | 93 | 52.5 Ų | 52.5 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.7 | -34.1 | -178.4 | -71.2 | -20.9 | 0 | 0 | 0 | 112.5 | G1354 K1359 C1360 | G1354-D1356 PolarHBondContact O-N 3.35Å; D1356-K1359 PolarHBondContact O-N 3.27Å; D1356-C1360 PolarHBondContact O-N 3.15Å; D1356-C1360 VanDerWaalsContact O-N 3.07Å; D1356-C1360 PolarHBondContact O-SG 3.43Å |
| 1357 | L | 92.5 | Very high | 90.2 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.9 | -41.6 | 175.9 | -169.7 | 61.9 | 0 | 0 | 0 | 110.6 | L1284 R1287 R1288 L1291 E1331 G1354 L1355 C1360 A1361 | L1284-L1357 HydrophobicContact CD2-CD2 3.94Å; R1287-L1357 HydrophobicContact CB-CD1 4.22Å; R1287-L1357 HydrophobicContact CB-CD2 4.26Å; R1288-L1357 VanDerWaalsContact CA-CD1 3.44Å; R1288-L1357 HydrophobicContact CB-CD1 3.84Å; R1288-L1357 HydrophobicContact CG-CD1 4.36Å; L1291-L1357 HydrophobicContact CD2-CD1 3.84Å; L1291-L1357 HydrophobicContact CD2-CG 4.46Å; L1291-L1357 WeakPolarHBondContact CD2-O 3.49Å; E1331-L1357 WeakPolarHBondContact OE2-CD2 3.28Å; G1354-L1357 WeakPolarHBondContact O-CB 3.4Å; G1354-L1357 PolarHBondContact O-N 2.97Å; L1355-L1357 VanDerWaalsContact C-N 3.29Å; L1355-L1357 PolarHBondContact O-N 3.47Å; L1357-C1360 PolarHBondContact O-N 2.99Å; L1357-A1361 PolarHBondContact O-N 2.96Å |
| 1358 | R | 94.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 173.7 | -57.9 | -155.6 | -64.7 | -77.7 | 4.3 | 111.3 | E1331 D1352 G1354 L1355 C1360 A1361 F1362 D1391 I1395 | E1331-R1358 WeakPolarHBondContact O-CG 3.37Å; D1352-R1358 IonicContact OD1-NH1 3.15Å; D1352-R1358 PolarHBondContact OD1-NH1 3.09Å; D1352-R1358 IonicContact OD2-CZ 3.33Å; D1352-R1358 IonicContact OD2-NH1 3.62Å; D1352-R1358 PolarHBondContact OD2-NH1 3.47Å; D1352-R1358 IonicContact OD2-NH2 3.55Å; D1352-R1358 PolarHBondContact OD2-NH2 3.29Å; G1354-R1358 WeakPolarHBondContact O-CG 3.5Å; G1354-R1358 PolarHBondContact O-N 3.32Å; G1354-R1358 VanDerWaalsContact O-N 3.13Å; L1355-R1358 PolarHBondContact O-N 3.34Å; R1358-C1360 VanDerWaalsContact C-N 3.33Å; R1358-C1360 PolarHBondContact O-N 2.99Å; R1358-A1361 WeakPolarHBondContact O-CA 3.31Å; R1358-A1361 WeakPolarHBondContact O-CB 3.39Å; R1358-A1361 PolarHBondContact O-N 3.22Å; R1358-F1362 VanDerWaalsContact O-CD2 3.31Å; R1358-F1362 WeakPolarHBondContact O-CD2 3.26Å; R1358-F1362 PolarHBondContact O-N 3.31Å; R1358-D1391 IonicContact CZ-OD1 2.71Å; R1358-D1391 IonicContact CZ-OD2 3.57Å; R1358-D1391 IonicContact NE-OD1 3.7Å; R1358-D1391 IonicContact NE-OD2 3.88Å; R1358-D1391 PolarHBondContact NE-OD2 3.01Å; R1358-D1391 IonicContact NH2-OD1 3.65Å; R1358-D1391 PolarHBondContact NH2-OD1 3.32Å; R1358-D1391 IonicContact NH2-OD2 3.8Å; R1358-D1391 PolarHBondContact NH2-OD2 2.81Å; R1358-I1395 HydrophobicContact CB-CD1 3.91Å |
| 1359 | K | 94.8 | Very high | 91 | Very high | 48 Ų | 48 | 34.7 Ų | 34.7 | 21% | 0.209 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54.7 | -50 | 176.3 | -71.9 | 174.2 | 177.5 | 178.5 | 0 | 111.5 | L1355 D1356 A1361 F1362 E1363 D1394 I1395 | L1355-K1359 WeakPolarHBondContact O-CG 3.5Å; L1355-K1359 PolarHBondContact O-N 3.48Å; D1356-K1359 PolarHBondContact O-N 3.27Å; K1359-A1361 PolarHBondContact O-N 2.92Å; K1359-F1362 PolarHBondContact O-N 3.21Å; K1359-E1363 WeakPolarHBondContact O-CG 3.19Å; K1359-E1363 PolarHBondContact O-N 3.08Å; K1359-D1394 WeakPolarHBondContact CE-OD2 3.35Å; K1359-D1394 IonicContact NZ-OD2 2.7Å; K1359-D1394 PolarHBondContact NZ-OD2 3.46Å; K1359-I1395 HydrophobicContact CB-CD1 4.19Å; K1359-I1395 HydrophobicContact CG-CD1 3.6Å |
| 1360 | C | 93.4 | Very high | 90.9 | Very high | 22 Ų | 22 | 35.7 Ų | 35.7 | 15% | 0.149 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -34.5 | 176.2 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | L1291 D1356 L1357 R1358 C1364 | L1291-C1360 HydrophobicContact CD2-CB 3.68Å; L1291-C1360 HydrophobicContact CG-CB 4.01Å; D1356-C1360 PolarHBondContact O-N 3.15Å; D1356-C1360 VanDerWaalsContact O-N 3.07Å; D1356-C1360 PolarHBondContact O-SG 3.43Å; L1357-C1360 PolarHBondContact O-N 2.99Å; R1358-C1360 VanDerWaalsContact C-N 3.33Å; R1358-C1360 PolarHBondContact O-N 2.99Å; C1360-C1364 VanDerWaalsContact O-CB 3.27Å; C1360-C1364 WeakPolarHBondContact O-CB 3.4Å; C1360-C1364 PolarHBondContact O-N 3.23Å |
| 1361 | A | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.5 | -47.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1291 L1328 E1331 T1332 L1357 R1358 K1359 E1363 C1364 M1365 | L1291-A1361 HydrophobicContact CD2-CB 3.9Å; L1328-A1361 HydrophobicContact CD1-CB 4.01Å; E1331-A1361 HydrophobicContact CB-CB 4.09Å; T1332-A1361 HydrophobicContact CG2-CB 4.15Å; L1357-A1361 PolarHBondContact O-N 2.96Å; R1358-A1361 WeakPolarHBondContact O-CA 3.31Å; R1358-A1361 WeakPolarHBondContact O-CB 3.39Å; R1358-A1361 PolarHBondContact O-N 3.22Å; K1359-A1361 PolarHBondContact O-N 2.92Å; A1361-E1363 PolarHBondContact O-N 3.31Å; A1361-C1364 WeakPolarHBondContact O-CB 3.44Å; A1361-C1364 PolarHBondContact O-N 2.74Å; A1361-M1365 WeakPolarHBondContact O-CB 3.45Å; A1361-M1365 VanDerWaalsContact O-CG 3.29Å; A1361-M1365 WeakPolarHBondContact O-CG 3.35Å; A1361-M1365 PolarHBondContact O-N 3.27Å |
| 1362 | F | 95.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.9 | -38.6 | 176.8 | -81.4 | -91.4 | 0 | 0 | 0 | 112.2 | T1332 R1358 K1359 M1365 S1366 L1385 I1395 L1398 S1399 I1402 | T1332-F1362 HydrophobicContact CG2-CD2 4.4Å; T1332-F1362 HydrophobicContact CG2-CE2 4.02Å; T1332-F1362 HydrophobicContact CG2-CZ 4.33Å; R1358-F1362 VanDerWaalsContact O-CD2 3.31Å; R1358-F1362 WeakPolarHBondContact O-CD2 3.26Å; R1358-F1362 PolarHBondContact O-N 3.31Å; K1359-F1362 PolarHBondContact O-N 3.21Å; F1362-M1365 WeakPolarHBondContact O-CB 3.34Å; F1362-M1365 PolarHBondContact O-N 3.49Å; F1362-S1366 PolarHBondContact O-N 2.81Å; F1362-L1385 HydrophobicContact CD1-CD2 3.85Å; F1362-L1385 HydrophobicContact CE1-CD2 3.78Å; F1362-I1395 HydrophobicContact CD1-CG2 4.44Å; F1362-I1395 HydrophobicContact CD2-CD1 4Å; F1362-I1395 HydrophobicContact CD2-CG2 3.72Å; F1362-I1395 HydrophobicContact CE1-CG2 4.16Å; F1362-I1395 HydrophobicContact CE2-CD1 4.5Å; F1362-I1395 HydrophobicContact CE2-CG2 3.42Å; F1362-I1395 VanDerWaalsContact CE2-CG2 3.42Å; F1362-I1395 HydrophobicContact CG-CG2 4.25Å; F1362-I1395 HydrophobicContact CZ-CG2 3.67Å; F1362-L1398 HydrophobicContact CB-CB 4.13Å; F1362-L1398 HydrophobicContact CB-CD1 4.01Å; F1362-S1399 WeakPolarHBondContact CE1-OG 3.31Å; F1362-I1402 HydrophobicContact CB-CD1 4.45Å; F1362-I1402 HydrophobicContact CD1-CD1 4.23Å; F1362-I1402 VanDerWaalsContact O-CD1 3.29Å; F1362-I1402 WeakPolarHBondContact O-CD1 2.9Å |
| 1363 | E | 94.1 | Very high | 89.5 | Confident | 85 Ų | 85 | 28.3 Ų | 28.3 | 40% | 0.397 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 172.1 | -73.1 | 174.4 | -174.9 | 0 | 0 | 111.7 | K1359 A1361 M1365 S1366 T1367 L1398 | K1359-E1363 WeakPolarHBondContact O-CG 3.19Å; K1359-E1363 PolarHBondContact O-N 3.08Å; A1361-E1363 PolarHBondContact O-N 3.31Å; E1363-M1365 VanDerWaalsContact C-N 3.32Å; E1363-M1365 PolarHBondContact O-N 3.3Å; E1363-S1366 WeakPolarHBondContact O-CB 3.5Å; E1363-S1366 PolarHBondContact O-N 3.37Å; E1363-S1366 VanDerWaalsContact O-N 3.16Å; E1363-T1367 PolarHBondContact O-N 2.75Å; E1363-T1367 PolarHBondContact O-OG1 3.42Å; E1363-L1398 HydrophobicContact CG-CD1 4.19Å; E1363-L1398 HydrophobicContact CG-CD2 4.16Å |
| 1364 | C | 93.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 175.9 | -173 | 0 | 0 | 0 | 0 | 111.9 | L1291 N1295 L1328 C1360 A1361 S1366 T1367 L1368 | L1291-C1364 HydrophobicContact CD1-CB 4.01Å; N1295-C1364 HydrophobicContact CB-CB 4.01Å; L1328-C1364 HydrophobicContact CD1-CB 4.01Å; C1360-C1364 VanDerWaalsContact O-CB 3.27Å; C1360-C1364 WeakPolarHBondContact O-CB 3.4Å; C1360-C1364 PolarHBondContact O-N 3.23Å; A1361-C1364 WeakPolarHBondContact O-CB 3.44Å; A1361-C1364 PolarHBondContact O-N 2.74Å; C1364-S1366 VanDerWaalsContact C-N 3.34Å; C1364-S1366 PolarHBondContact O-N 3.46Å; C1364-T1367 PolarHBondContact O-N 3.21Å; C1364-L1368 WeakPolarHBondContact O-CB 3.38Å; C1364-L1368 VanDerWaalsContact O-CG 3.3Å; C1364-L1368 WeakPolarHBondContact O-CG 3.39Å; C1364-L1368 PolarHBondContact O-N 2.96Å |
| 1365 | M | 93.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.9 | -46.7 | 172.9 | -76.7 | 178.5 | 80 | 0 | 0 | 110.7 | L1328 T1332 A1361 F1362 E1363 T1367 L1368 L1369 F1381 L1385 I1402 | L1328-M1365 HydrophobicContact CD1-CG 4.46Å; L1328-M1365 HydrophobicContact CD2-CG 3.87Å; L1328-M1365 HydrophobicContact CG-CG 4.14Å; T1332-M1365 HydrophobicContact CG2-SD 3.53Å; T1332-M1365 VanDerWaalsContact CG2-SD 3.53Å; A1361-M1365 WeakPolarHBondContact O-CB 3.45Å; A1361-M1365 VanDerWaalsContact O-CG 3.29Å; A1361-M1365 WeakPolarHBondContact O-CG 3.35Å; A1361-M1365 PolarHBondContact O-N 3.27Å; F1362-M1365 WeakPolarHBondContact O-CB 3.34Å; F1362-M1365 PolarHBondContact O-N 3.49Å; E1363-M1365 VanDerWaalsContact C-N 3.32Å; E1363-M1365 PolarHBondContact O-N 3.3Å; M1365-T1367 PolarHBondContact O-N 3.46Å; M1365-L1368 PolarHBondContact O-N 3.47Å; M1365-L1369 PolarHBondContact O-N 3.46Å; M1365-F1381 HydrophobicContact CB-CE2 3.64Å; M1365-F1381 HydrophobicContact CB-CZ 3.49Å; M1365-F1381 VanDerWaalsContact CB-CZ 3.49Å; M1365-F1381 HydrophobicContact CE-CD1 3.96Å; M1365-F1381 HydrophobicContact CE-CD2 3.43Å; M1365-F1381 VanDerWaalsContact CE-CD2 3.43Å; M1365-F1381 HydrophobicContact CE-CE1 3.94Å; M1365-F1381 HydrophobicContact CE-CE2 3.41Å; M1365-F1381 VanDerWaalsContact CE-CE2 3.41Å; M1365-F1381 HydrophobicContact CE-CG 3.73Å; M1365-F1381 HydrophobicContact CE-CZ 3.68Å; M1365-F1381 HydrophobicContact CG-CD2 4.45Å; M1365-F1381 HydrophobicContact CG-CE2 3.65Å; M1365-F1381 HydrophobicContact CG-CZ 4.01Å; M1365-F1381 WeakPolarHBondContact O-CZ 3.36Å; M1365-F1381 HydrophobicContact SD-CE2 4.38Å; M1365-L1385 HydrophobicContact CE-CD2 4.09Å; M1365-L1385 HydrophobicContact CE-CG 4.1Å; M1365-I1402 HydrophobicContact CB-CD1 4.49Å |
| 1366 | S | 92.7 | Very high | 87.2 | Confident | 34 Ų | 34 | 30.3 Ų | 30.3 | 24% | 0.238 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.5 | -49.1 | 176.4 | -166 | 0 | 0 | 0 | 0 | 111.8 | F1362 E1363 C1364 L1368 L1369 E1370 | F1362-S1366 PolarHBondContact O-N 2.81Å; E1363-S1366 WeakPolarHBondContact O-CB 3.5Å; E1363-S1366 PolarHBondContact O-N 3.37Å; E1363-S1366 VanDerWaalsContact O-N 3.16Å; C1364-S1366 VanDerWaalsContact C-N 3.34Å; C1364-S1366 PolarHBondContact O-N 3.46Å; S1366-L1368 VanDerWaalsContact C-N 3.34Å; S1366-L1368 PolarHBondContact O-N 3.37Å; S1366-L1369 WeakPolarHBondContact O-CB 3.47Å; S1366-L1369 PolarHBondContact O-N 3.25Å; S1366-E1370 PolarHBondContact O-N 2.99Å |
| 1367 | T | 89.6 | Confident | 86.6 | Confident | 18 Ų | 18 | 29.4 Ų | 29.4 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 177.8 | -53.9 | 0 | 0 | 0 | 0 | 111.9 | N1295 A1298 H1299 E1363 C1364 M1365 E1370 T1371 | N1295-T1367 VanDerWaalsContact OD1-CB 3.22Å; N1295-T1367 WeakPolarHBondContact OD1-CB 3.35Å; N1295-T1367 PolarHBondContact OD1-OG1 3.31Å; A1298-T1367 HydrophobicContact CB-CG2 3.76Å; H1299-T1367 HydrophobicContact CB-CG2 3.9Å; E1363-T1367 PolarHBondContact O-N 2.75Å; E1363-T1367 PolarHBondContact O-OG1 3.42Å; C1364-T1367 PolarHBondContact O-N 3.21Å; M1365-T1367 PolarHBondContact O-N 3.46Å; T1367-E1370 PolarHBondContact O-N 2.86Å; T1367-T1371 HydrophobicContact CG2-CG2 4.28Å; T1367-T1371 WeakPolarHBondContact O-CB 3.41Å; T1367-T1371 WeakPolarHBondContact O-CG2 3.28Å; T1367-T1371 PolarHBondContact O-N 2.79Å; T1367-T1371 PolarHBondContact O-OG1 2.92Å |
| 1368 | L | 89.1 | Confident | 86 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.4 | -34.8 | 178.3 | -71.5 | 174.8 | 0 | 0 | 0 | 112.6 | A1298 L1309 L1325 L1328 C1364 M1365 S1366 E1370 T1371 C1372 L1373 L1376 | A1298-L1368 HydrophobicContact CB-CD2 3.81Å; A1298-L1368 HydrophobicContact CB-CG 4.46Å; L1309-L1368 HydrophobicContact CD1-CD2 4.1Å; L1309-L1368 HydrophobicContact CD2-CD1 4.26Å; L1309-L1368 HydrophobicContact CD2-CD2 4Å; L1325-L1368 HydrophobicContact CD2-CD1 3.95Å; L1328-L1368 HydrophobicContact CD2-CD1 3.48Å; L1328-L1368 VanDerWaalsContact CD2-CD1 3.48Å; C1364-L1368 WeakPolarHBondContact O-CB 3.38Å; C1364-L1368 VanDerWaalsContact O-CG 3.3Å; C1364-L1368 WeakPolarHBondContact O-CG 3.39Å; C1364-L1368 PolarHBondContact O-N 2.96Å; M1365-L1368 PolarHBondContact O-N 3.47Å; S1366-L1368 VanDerWaalsContact C-N 3.34Å; S1366-L1368 PolarHBondContact O-N 3.37Å; L1368-E1370 PolarHBondContact O-N 2.96Å; L1368-T1371 PolarHBondContact O-N 2.9Å; L1368-C1372 HydrophobicContact CD2-CB 3.99Å; L1368-C1372 CarbonylContact O-C 3.51Å; L1368-C1372 WeakPolarHBondContact O-CA 3.21Å; L1368-C1372 PolarHBondContact O-N 3.2Å; L1368-L1373 PolarHBondContact O-N 3.43Å; L1368-L1376 HydrophobicContact CB-CD1 4.4Å; L1368-L1376 HydrophobicContact CB-CD2 4.28Å |
| 1369 | L | 85.2 | Confident | 85 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.3 | -35 | 175 | -177.2 | 68.3 | 0 | 0 | 0 | 111.5 | M1365 S1366 L1373 L1376 I1378 F1381 I1402 R1405 I1406 I1409 | M1365-L1369 PolarHBondContact O-N 3.46Å; S1366-L1369 WeakPolarHBondContact O-CB 3.47Å; S1366-L1369 PolarHBondContact O-N 3.25Å; L1369-L1373 HydrophobicContact CD1-CD1 3.66Å; L1369-L1376 HydrophobicContact CB-CD1 4.44Å; L1369-L1376 HydrophobicContact CD1-CD1 4.35Å; L1369-I1378 HydrophobicContact CD1-CD1 4.21Å; L1369-F1381 HydrophobicContact CB-CE1 4.43Å; L1369-F1381 HydrophobicContact CB-CZ 4.27Å; L1369-F1381 HydrophobicContact CD1-CE1 4.38Å; L1369-I1402 HydrophobicContact CD2-CG2 3.81Å; L1369-R1405 HydrophobicContact CD2-CB 3.83Å; L1369-R1405 HydrophobicContact CD2-CG 3.69Å; L1369-R1405 HydrophobicContact CG-CG 4.45Å; L1369-I1406 HydrophobicContact CD1-CG1 4Å; L1369-I1406 HydrophobicContact CD2-CD1 4.36Å; L1369-I1406 HydrophobicContact CD2-CG1 3.63Å; L1369-I1409 HydrophobicContact CD1-CD1 4.28Å; L1369-I1409 HydrophobicContact CD2-CD1 4.46Å; L1369-I1409 HydrophobicContact CG-CD1 4.19Å |
| 1370 | E | 80.1 | Confident | 84.2 | Confident | 107 Ų | 107 | 32.3 Ų | 32.3 | 50% | 0.5 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -81.3 | -40.4 | 178.3 | -67.2 | -177.6 | 169.5 | 0 | 0 | 112.9 | S1366 T1367 L1368 | S1366-E1370 PolarHBondContact O-N 2.99Å; T1367-E1370 PolarHBondContact O-N 2.86Å; L1368-E1370 PolarHBondContact O-N 2.96Å |
| 1371 | T | 77.3 | Confident | 83.8 | Confident | 11 Ų | 11 | 31.6 Ų | 31.6 | 7% | 0.067 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -103.1 | -18 | -167 | 61.6 | 0 | 0 | 0 | 0 | 114.6 | A1298 R1306 T1367 L1368 | A1298-T1371 PolarHBondContact O-OG1 3.3Å; R1306-T1371 VanDerWaalsContact CZ-O 3.23Å; R1306-T1371 PolarHBondContact NE-O 3.33Å; R1306-T1371 PolarHBondContact NH2-O 3.24Å; T1367-T1371 HydrophobicContact CG2-CG2 4.28Å; T1367-T1371 WeakPolarHBondContact O-CB 3.41Å; T1367-T1371 WeakPolarHBondContact O-CG2 3.28Å; T1367-T1371 PolarHBondContact O-N 2.79Å; T1367-T1371 PolarHBondContact O-OG1 2.92Å; L1368-T1371 PolarHBondContact O-N 2.9Å |
| 1372 | C | 77.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -141.5 | 29.8 | -169.8 | -61.7 | 0 | 0 | 0 | 0 | 113.6 | R1306 L1309 L1368 D1374 K1375 | R1306-C1372 HydrophobicContact CG-CB 4.48Å; L1309-C1372 HydrophobicContact CD1-CB 3.84Å; L1368-C1372 HydrophobicContact CD2-CB 3.99Å; L1368-C1372 CarbonylContact O-C 3.51Å; L1368-C1372 WeakPolarHBondContact O-CA 3.21Å; L1368-C1372 PolarHBondContact O-N 3.2Å; C1372-D1374 VanDerWaalsContact C-N 3.25Å; C1372-D1374 PolarHBondContact O-N 3.28Å; C1372-D1374 VanDerWaalsContact O-N 3.12Å; C1372-K1375 PolarHBondContact O-N 2.88Å | ||
| 1373 | L | 75.7 | Confident | 83.1 | Confident | 52 Ų | 52 | 35.2 Ų | 35.2 | 27% | 0.272 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -49.6 | -39.9 | -174.3 | -174 | 80.3 | 0 | 0 | 0 | 114.3 | L1368 L1369 K1375 L1376 I1378 I1409 | L1368-L1373 PolarHBondContact O-N 3.43Å; L1369-L1373 HydrophobicContact CD1-CD1 3.66Å; L1373-K1375 PolarHBondContact O-N 2.95Å; L1373-L1376 PolarHBondContact O-N 3.45Å; L1373-I1378 HydrophobicContact CD1-CD1 4.12Å; L1373-I1409 HydrophobicContact CD1-CD1 4.35Å; L1373-I1409 HydrophobicContact CD1-CG2 3.89Å; L1373-I1409 HydrophobicContact CD2-CG2 3.77Å; L1373-I1409 HydrophobicContact CG-CG2 4.49Å |
| 1374 | D | 69.4 | Low | 82.9 | Confident | 64 Ų | 64 | 32 Ų | 32 | 34% | 0.342 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -65.9 | -18.4 | -177.6 | 59.5 | -64.2 | 0 | 0 | 0 | 114.1 | R1306 C1372 | R1306-D1374 IonicContact CZ-OD1 3.39Å; R1306-D1374 VanDerWaalsContact NH1-CG 3.33Å; R1306-D1374 IonicContact NH1-OD1 2.96Å; R1306-D1374 PolarHBondContact NH1-OD1 3.34Å; R1306-D1374 IonicContact NH1-OD2 3.49Å; R1306-D1374 PolarHBondContact NH1-OD2 3.18Å; R1306-D1374 IonicContact NH2-OD1 2.99Å; C1372-D1374 VanDerWaalsContact C-N 3.25Å; C1372-D1374 PolarHBondContact O-N 3.28Å; C1372-D1374 VanDerWaalsContact O-N 3.12Å |
| 1375 | K | 75.3 | Confident | 82.9 | Confident | 77 Ų | 77 | 32 Ų | 32 | 34% | 0.335 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -97.4 | -7.4 | 177.8 | -58.9 | -56.8 | -178.2 | -175.1 | 0 | 113.3 | L1309 N1310 C1372 L1373 | L1309-K1375 HydrophobicContact CD1-CB 3.87Å; L1309-K1375 HydrophobicContact CD1-CG 4.36Å; N1310-K1375 PolarHBondContact ND2-O 2.79Å; C1372-K1375 PolarHBondContact O-N 2.88Å; L1373-K1375 PolarHBondContact O-N 2.95Å |
| 1376 | L | 81.3 | Confident | 82.9 | Confident | 9 Ų | 9 | 32.2 Ų | 32.2 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | trans | -90.7 | 131.6 | -174.8 | -60.3 | -177.9 | 0 | 0 | 0 | 112.2 | L1325 L1368 L1369 L1373 I1378 F1381 | L1325-L1376 HydrophobicContact CD1-CD2 4.01Å; L1325-L1376 HydrophobicContact CD2-CD2 3.75Å; L1368-L1376 HydrophobicContact CB-CD1 4.4Å; L1368-L1376 HydrophobicContact CB-CD2 4.28Å; L1369-L1376 HydrophobicContact CB-CD1 4.44Å; L1369-L1376 HydrophobicContact CD1-CD1 4.35Å; L1373-L1376 PolarHBondContact O-N 3.45Å; L1376-I1378 HydrophobicContact CB-CD1 4.07Å; L1376-I1378 PolarHBondContact O-N 3.47Å; L1376-F1381 HydrophobicContact CD1-CD2 4.45Å; L1376-F1381 HydrophobicContact CD1-CE2 4.15Å; L1376-F1381 HydrophobicContact CD1-CZ 4.37Å; L1376-F1381 HydrophobicContact CD2-CE2 4.5Å | ||
| 1377 | V | 76.8 | Confident | 82.8 | Confident | 74 Ų | 74 | 34.9 Ų | 34.9 | 45% | 0.448 | 18% | 0.183 | S | C | . | . | trans | -86.1 | 87.9 | 166.4 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | P1379 N1380 F1381 | V1377-P1379 VanDerWaalsContact C-CD 3.41Å; V1377-P1379 VanDerWaalsContact C-N 3.29Å; V1377-P1379 HydrophobicContact CG1-CB 4.44Å; V1377-P1379 HydrophobicContact CG1-CG 4.47Å; V1377-P1379 VanDerWaalsContact O-N 3.16Å; V1377-N1380 PolarHBondContact O-N 2.91Å; V1377-N1380 VanDerWaalsContact O-N 3.1Å; V1377-F1381 PolarHBondContact O-N 3.26Å | ||
| 1378 | I | 79.8 | Confident | 83 | Confident | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -49.3 | -39.4 | -175.7 | -56 | -62.4 | 0 | 0 | 0 | 113.9 | L1369 L1373 L1376 N1380 F1381 L1382 I1406 R1410 E1413 | L1369-I1378 HydrophobicContact CD1-CD1 4.21Å; L1373-I1378 HydrophobicContact CD1-CD1 4.12Å; L1376-I1378 HydrophobicContact CB-CD1 4.07Å; L1376-I1378 PolarHBondContact O-N 3.47Å; I1378-N1380 PolarHBondContact O-N 3.27Å; I1378-F1381 WeakPolarHBondContact O-CB 3.4Å; I1378-F1381 PolarHBondContact O-N 3.46Å; I1378-L1382 VanDerWaalsContact O-CB 3.28Å; I1378-L1382 WeakPolarHBondContact O-CB 3.36Å; I1378-L1382 PolarHBondContact O-N 2.99Å; I1378-I1406 HydrophobicContact CG2-CG2 4.31Å; I1378-R1410 HydrophobicContact CG1-CG 4.27Å; I1378-R1410 HydrophobicContact CG2-CB 4.41Å; I1378-R1410 HydrophobicContact CG2-CG 4.26Å; I1378-E1413 HydrophobicContact CG2-CG 4.42Å |
| 1379 | P | 74.6 | Confident | 83.2 | Confident | 27 Ų | 27 | 34.1 Ų | 34.1 | 18% | 0.175 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -50.4 | -47.4 | 173.7 | -38.3 | 42.7 | 0 | 0 | 0 | 116.5 | R332 V1377 E1383 | R332-P1379 VanDerWaalsContact NH2-CA 3.29Å; R332-P1379 VanDerWaalsContact NH2-CB 3.29Å; R332-P1379 PolarHBondContact NH2-O 3.4Å; V1377-P1379 VanDerWaalsContact C-CD 3.41Å; V1377-P1379 VanDerWaalsContact C-N 3.29Å; V1377-P1379 HydrophobicContact CG1-CB 4.44Å; V1377-P1379 HydrophobicContact CG1-CG 4.47Å; V1377-P1379 VanDerWaalsContact O-N 3.16Å; P1379-E1383 PolarHBondContact O-N 3.4Å |
| 1380 | N | 78.5 | Confident | 83.6 | Confident | 86 Ų | 86 | 40.1 Ų | 40.1 | 46% | 0.46 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -75.4 | -41.3 | -178.6 | -64.8 | -0.5 | 0 | 0 | 0 | 109.6 | V1377 I1378 L1382 E1383 S1384 | V1377-N1380 PolarHBondContact O-N 2.91Å; V1377-N1380 VanDerWaalsContact O-N 3.1Å; I1378-N1380 PolarHBondContact O-N 3.27Å; N1380-L1382 VanDerWaalsContact C-N 3.28Å; N1380-L1382 PolarHBondContact O-N 3.29Å; N1380-E1383 PolarHBondContact O-N 3.35Å; N1380-S1384 PolarHBondContact O-N 3.35Å |
| 1381 | F | 84.4 | Confident | 84.1 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.7 | -41.6 | 175.5 | -163.2 | -94.8 | 0 | 0 | 0 | 112 | M1365 L1369 L1376 V1377 I1378 L1385 I1402 I1406 | M1365-F1381 HydrophobicContact CB-CE2 3.64Å; M1365-F1381 HydrophobicContact CB-CZ 3.49Å; M1365-F1381 VanDerWaalsContact CB-CZ 3.49Å; M1365-F1381 HydrophobicContact CE-CD1 3.96Å; M1365-F1381 HydrophobicContact CE-CD2 3.43Å; M1365-F1381 VanDerWaalsContact CE-CD2 3.43Å; M1365-F1381 HydrophobicContact CE-CE1 3.94Å; M1365-F1381 HydrophobicContact CE-CE2 3.41Å; M1365-F1381 VanDerWaalsContact CE-CE2 3.41Å; M1365-F1381 HydrophobicContact CE-CG 3.73Å; M1365-F1381 HydrophobicContact CE-CZ 3.68Å; M1365-F1381 HydrophobicContact CG-CD2 4.45Å; M1365-F1381 HydrophobicContact CG-CE2 3.65Å; M1365-F1381 HydrophobicContact CG-CZ 4.01Å; M1365-F1381 WeakPolarHBondContact O-CZ 3.36Å; M1365-F1381 HydrophobicContact SD-CE2 4.38Å; L1369-F1381 HydrophobicContact CB-CE1 4.43Å; L1369-F1381 HydrophobicContact CB-CZ 4.27Å; L1369-F1381 HydrophobicContact CD1-CE1 4.38Å; L1376-F1381 HydrophobicContact CD1-CD2 4.45Å; L1376-F1381 HydrophobicContact CD1-CE2 4.15Å; L1376-F1381 HydrophobicContact CD1-CZ 4.37Å; L1376-F1381 HydrophobicContact CD2-CE2 4.5Å; V1377-F1381 PolarHBondContact O-N 3.26Å; I1378-F1381 WeakPolarHBondContact O-CB 3.4Å; I1378-F1381 PolarHBondContact O-N 3.46Å; F1381-L1385 HydrophobicContact CD1-CD1 3.74Å; F1381-L1385 HydrophobicContact CD1-CG 4.41Å; F1381-L1385 HydrophobicContact CE1-CD1 3.8Å; F1381-L1385 HydrophobicContact CE1-CG 4.49Å; F1381-L1385 WeakPolarHBondContact O-CG 3.31Å; F1381-L1385 PolarHBondContact O-N 2.94Å; F1381-I1402 HydrophobicContact CE1-CG2 3.91Å; F1381-I1406 HydrophobicContact CD1-CD1 3.81Å; F1381-I1406 HydrophobicContact CE1-CD1 3.96Å |
| 1382 | L | 87.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.4 | -31.9 | 179.2 | -178.1 | 58.4 | 0 | 0 | 0 | 113 | I1378 N1380 L1385 I1386 L1403 E1413 I1414 K1417 | I1378-L1382 VanDerWaalsContact O-CB 3.28Å; I1378-L1382 WeakPolarHBondContact O-CB 3.36Å; I1378-L1382 PolarHBondContact O-N 2.99Å; N1380-L1382 VanDerWaalsContact C-N 3.28Å; N1380-L1382 PolarHBondContact O-N 3.29Å; L1382-L1385 PolarHBondContact O-N 3.5Å; L1382-I1386 HydrophobicContact CD1-CD1 4.15Å; L1382-I1386 HydrophobicContact CD1-CG1 4.21Å; L1382-I1386 HydrophobicContact CG-CD1 3.91Å; L1382-I1386 HydrophobicContact CG-CG1 4.43Å; L1382-I1386 VanDerWaalsContact O-CG1 3.26Å; L1382-I1386 WeakPolarHBondContact O-CG1 3.29Å; L1382-I1386 PolarHBondContact O-N 2.95Å; L1382-L1403 HydrophobicContact CD1-CD2 3.31Å; L1382-E1413 HydrophobicContact CD2-CB 4.34Å; L1382-I1414 HydrophobicContact CD1-CD1 3.62Å; L1382-I1414 HydrophobicContact CD2-CD1 4.21Å; L1382-K1417 HydrophobicContact CD2-CB 4.06Å; L1382-K1417 HydrophobicContact CD2-CG 3.83Å |
| 1383 | E | 88.2 | Confident | 85.4 | Confident | 75 Ų | 75 | 40.2 Ų | 40.2 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.2 | -47.1 | 177.7 | -73.6 | 176.5 | -171.8 | 0 | 0 | 111.1 | R332 P1379 N1380 L1385 I1386 D1387 K1417 | R332-E1383 IonicContact CZ-OE1 3.99Å; R332-E1383 IonicContact NH1-OE1 3.59Å; R332-E1383 PolarHBondContact NH1-OE1 3.09Å; R332-E1383 IonicContact NH2-OE1 2.68Å; P1379-E1383 PolarHBondContact O-N 3.4Å; N1380-E1383 PolarHBondContact O-N 3.35Å; E1383-L1385 VanDerWaalsContact C-N 3.27Å; E1383-L1385 PolarHBondContact O-N 2.88Å; E1383-I1386 PolarHBondContact O-N 2.93Å; E1383-D1387 PolarHBondContact O-N 2.82Å; E1383-K1417 IonicContact OE1-NZ 2.85Å; E1383-K1417 PolarHBondContact OE1-NZ 3.01Å |
| 1384 | S | 90.7 | Very high | 86.1 | Confident | 18 Ų | 18 | 40 Ų | 40 | 13% | 0.126 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.8 | -39.9 | 172 | -70 | 0 | 0 | 0 | 0 | 112.7 | T1332 N1380 G1388 | T1332-S1384 WeakPolarHBondContact OG1-CB 3.49Å; T1332-S1384 PolarHBondContact OG1-OG 2.98Å; T1332-S1384 VanDerWaalsContact OG1-OG 3.14Å; N1380-S1384 PolarHBondContact O-N 3.35Å; S1384-G1388 PolarHBondContact O-N 2.9Å |
| 1385 | L | 93.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.9 | -40.6 | 177.9 | -66.8 | 172.6 | 0 | 0 | 0 | 113.4 | F1362 M1365 F1381 L1382 E1383 D1387 G1388 L1389 I1402 L1403 I1406 | F1362-L1385 HydrophobicContact CD1-CD2 3.85Å; F1362-L1385 HydrophobicContact CE1-CD2 3.78Å; M1365-L1385 HydrophobicContact CE-CD2 4.09Å; M1365-L1385 HydrophobicContact CE-CG 4.1Å; F1381-L1385 HydrophobicContact CD1-CD1 3.74Å; F1381-L1385 HydrophobicContact CD1-CG 4.41Å; F1381-L1385 HydrophobicContact CE1-CD1 3.8Å; F1381-L1385 HydrophobicContact CE1-CG 4.49Å; F1381-L1385 WeakPolarHBondContact O-CG 3.31Å; F1381-L1385 PolarHBondContact O-N 2.94Å; L1382-L1385 PolarHBondContact O-N 3.5Å; E1383-L1385 VanDerWaalsContact C-N 3.27Å; E1383-L1385 PolarHBondContact O-N 2.88Å; L1385-D1387 VanDerWaalsContact C-N 3.32Å; L1385-G1388 PolarHBondContact O-N 3.39Å; L1385-L1389 PolarHBondContact O-N 3.31Å; L1385-I1402 HydrophobicContact CD1-CB 4.24Å; L1385-I1402 HydrophobicContact CD1-CG2 3.52Å; L1385-I1402 HydrophobicContact CD2-CB 3.86Å; L1385-I1402 HydrophobicContact CD2-CD1 3.75Å; L1385-I1402 HydrophobicContact CD2-CG1 4.43Å; L1385-I1402 HydrophobicContact CD2-CG2 3.75Å; L1385-I1402 HydrophobicContact CG-CG2 4.3Å; L1385-L1403 HydrophobicContact CB-CD2 3.96Å; L1385-L1403 HydrophobicContact CB-CG 4.13Å; L1385-L1403 HydrophobicContact CD1-CD2 4.14Å; L1385-L1403 HydrophobicContact CD1-CG 4.43Å; L1385-I1406 HydrophobicContact CD1-CD1 3.24Å |
| 1386 | I | 92.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 177.4 | -69.6 | 167.7 | 0 | 0 | 0 | 110.5 | L1382 E1383 L1389 K1417 I1420 L1421 | L1382-I1386 HydrophobicContact CD1-CD1 4.15Å; L1382-I1386 HydrophobicContact CD1-CG1 4.21Å; L1382-I1386 HydrophobicContact CG-CD1 3.91Å; L1382-I1386 HydrophobicContact CG-CG1 4.43Å; L1382-I1386 VanDerWaalsContact O-CG1 3.26Å; L1382-I1386 WeakPolarHBondContact O-CG1 3.29Å; L1382-I1386 PolarHBondContact O-N 2.95Å; E1383-I1386 PolarHBondContact O-N 2.93Å; I1386-L1389 WeakPolarHBondContact O-CB 3.46Å; I1386-L1389 PolarHBondContact O-N 3.16Å; I1386-K1417 HydrophobicContact CD1-CB 3.97Å; I1386-K1417 HydrophobicContact CD1-CG 4.42Å; I1386-I1420 HydrophobicContact CG2-CG2 3.78Å; I1386-L1421 HydrophobicContact CG1-CD1 4.27Å |
| 1387 | D | 91.2 | Very high | 88.7 | Confident | 89 Ų | 89 | 36 Ų | 36 | 48% | 0.476 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -69.3 | -34.6 | 174.1 | -75.8 | -28.6 | 0 | 0 | 0 | 112 | E1383 L1385 L1389 R1390 | E1383-D1387 PolarHBondContact O-N 2.82Å; L1385-D1387 VanDerWaalsContact C-N 3.32Å; D1387-L1389 PolarHBondContact O-N 2.85Å; D1387-R1390 WeakPolarHBondContact O-CB 3.47Å; D1387-R1390 PolarHBondContact O-N 3.08Å; D1387-R1390 IonicContact OD1-CZ 3.35Å; D1387-R1390 IonicContact OD1-NH1 3.83Å; D1387-R1390 PolarHBondContact OD1-NH1 2.88Å |
| 1388 | G | 93.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.8 | -29.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114 | S1384 L1385 R1390 D1391 | S1384-G1388 PolarHBondContact O-N 2.9Å; L1385-G1388 PolarHBondContact O-N 3.39Å; G1388-R1390 PolarHBondContact O-N 3.14Å; G1388-R1390 VanDerWaalsContact O-N 3.14Å; G1388-D1391 WeakPolarHBondContact O-CB 3.4Å; G1388-D1391 PolarHBondContact O-N 2.93Å; G1388-D1391 VanDerWaalsContact O-N 3.15Å |
| 1389 | L | 94 | Very high | 90.2 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -10.4 | 173.3 | -62.9 | -178.1 | 0 | 0 | 0 | 114.2 | L1385 I1386 D1387 K1396 Y1400 L1403 L1421 P1424 | L1385-L1389 PolarHBondContact O-N 3.31Å; I1386-L1389 WeakPolarHBondContact O-CB 3.46Å; I1386-L1389 PolarHBondContact O-N 3.16Å; D1387-L1389 PolarHBondContact O-N 2.85Å; L1389-K1396 WeakPolarHBondContact O-CE 3.2Å; L1389-Y1400 HydrophobicContact CD1-CE1 4.24Å; L1389-Y1400 HydrophobicContact CD2-CD1 3.58Å; L1389-Y1400 HydrophobicContact CD2-CD2 4.22Å; L1389-Y1400 HydrophobicContact CD2-CE1 3.42Å; L1389-Y1400 VanDerWaalsContact CD2-CE1 3.42Å; L1389-Y1400 HydrophobicContact CD2-CE2 4.11Å; L1389-Y1400 HydrophobicContact CD2-CG 3.96Å; L1389-Y1400 HydrophobicContact CG-CE1 4.45Å; L1389-L1403 HydrophobicContact CD1-CD1 3.58Å; L1389-L1403 HydrophobicContact CD2-CD1 3.98Å; L1389-L1403 HydrophobicContact CG-CD1 3.87Å; L1389-L1421 HydrophobicContact CD1-CD1 3.52Å; L1389-P1424 HydrophobicContact CB-CB 3.74Å; L1389-P1424 HydrophobicContact CB-CG 3.96Å; L1389-P1424 HydrophobicContact CD1-CB 4.33Å; L1389-P1424 HydrophobicContact CD1-CG 3.84Å |
| 1390 | R | 92.3 | Very high | 91.2 | Very high | 131 Ų | 131 | 32.2 Ų | 32.2 | 49% | 0.494 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -8 | 177 | -58.5 | 173.2 | 178.3 | 158.8 | -5.1 | 112.7 | D1387 G1388 P1424 | D1387-R1390 WeakPolarHBondContact O-CB 3.47Å; D1387-R1390 PolarHBondContact O-N 3.08Å; D1387-R1390 IonicContact OD1-CZ 3.35Å; D1387-R1390 IonicContact OD1-NH1 3.83Å; D1387-R1390 PolarHBondContact OD1-NH1 2.88Å; G1388-R1390 PolarHBondContact O-N 3.14Å; G1388-R1390 VanDerWaalsContact O-N 3.14Å; R1390-P1424 HydrophobicContact CG-CB 4.43Å |
| 1391 | D | 92.4 | Very high | 91.8 | Very high | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.08 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -85.9 | -163.7 | -173.8 | -157.4 | -16.3 | 0 | 0 | 0 | 112.4 | I1334 R1358 G1388 I1395 K1396 | I1334-D1391 HydrophobicContact CD1-CB 4.08Å; I1334-D1391 WeakPolarHBondContact CG1-OD2 3.44Å; R1358-D1391 IonicContact CZ-OD1 2.71Å; R1358-D1391 IonicContact CZ-OD2 3.57Å; R1358-D1391 IonicContact NE-OD1 3.7Å; R1358-D1391 IonicContact NE-OD2 3.88Å; R1358-D1391 PolarHBondContact NE-OD2 3.01Å; R1358-D1391 IonicContact NH2-OD1 3.65Å; R1358-D1391 PolarHBondContact NH2-OD1 3.32Å; R1358-D1391 IonicContact NH2-OD2 3.8Å; R1358-D1391 PolarHBondContact NH2-OD2 2.81Å; G1388-D1391 WeakPolarHBondContact O-CB 3.4Å; G1388-D1391 PolarHBondContact O-N 2.93Å; G1388-D1391 VanDerWaalsContact O-N 3.15Å; D1391-I1395 HydrophobicContact CB-CB 4.01Å; D1391-I1395 HydrophobicContact CB-CG2 3.87Å; D1391-K1396 WeakPolarHBondContact O-CD 3.42Å; D1391-K1396 WeakPolarHBondContact O-CE 3.45Å; D1391-K1396 PolarHBondContact O-NZ 2.76Å |
| 1392 | H | 91.4 | Very high | 92.2 | Very high | 73 Ų | 73 | 32.7 Ų | 32.7 | 34% | 0.338 | 16% | 0.157 | S | C | . | . | trans | -55.1 | 150.6 | 174.2 | -172.9 | -92.6 | 0 | 0 | 0 | 112 | L1355 D1394 I1395 K1396 | L1355-H1392 HydrophobicContact CD1-CB 3.63Å; H1392-D1394 VanDerWaalsContact C-N 3.28Å; H1392-D1394 IonicContact CE1-OD1 2.74Å; H1392-D1394 IonicContact CE1-OD2 3.68Å; H1392-D1394 PolarHBondContact CE1-OD2 3.35Å; H1392-D1394 VanDerWaalsContact CE1-OD2 3.3Å; H1392-D1394 PolarHBondContact ND1-N 2.77Å; H1392-D1394 IonicContact ND1-OD1 3.69Å; H1392-D1394 IonicContact ND1-OD2 2.88Å; H1392-D1394 PolarHBondContact ND1-OD2 3.14Å; H1392-D1394 PolarHBondContact O-N 3.01Å; H1392-I1395 HydrophobicContact CB-CG1 4.47Å; H1392-I1395 WeakPolarHBondContact O-CB 3.22Å; H1392-I1395 PolarHBondContact O-N 2.92Å; H1392-K1396 PolarHBondContact O-N 3.47Å | ||
| 1393 | T | 89.8 | Confident | 92.5 | Very high | 31 Ų | 31 | 32.7 Ų | 32.7 | 19% | 0.19 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -50.3 | -44.2 | -176.1 | -61.6 | 0 | 0 | 0 | 0 | 113.5 | I1395 K1396 L1397 K1444 L1448 | T1393-I1395 VanDerWaalsContact C-N 3.34Å; T1393-I1395 PolarHBondContact O-N 2.93Å; T1393-K1396 WeakPolarHBondContact O-CB 3.27Å; T1393-K1396 PolarHBondContact O-N 2.89Å; T1393-L1397 HydrophobicContact CG2-CD1 4.32Å; T1393-L1397 WeakPolarHBondContact O-CG 3.4Å; T1393-L1397 PolarHBondContact O-N 3.45Å; T1393-K1444 HydrophobicContact CG2-CB 4.32Å; T1393-L1448 HydrophobicContact CG2-CD1 3.7Å; T1393-L1448 HydrophobicContact CG2-CD2 4.11Å; T1393-L1448 HydrophobicContact CG2-CG 3.86Å |
| 1394 | D | 90 | Very high | 92.5 | Very high | 47 Ų | 47 | 31.8 Ų | 31.8 | 25% | 0.251 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.4 | -38.9 | -179.4 | -53.4 | -14.5 | 0 | 0 | 0 | 112.1 | K1359 H1392 L1397 L1398 | K1359-D1394 WeakPolarHBondContact CE-OD2 3.35Å; K1359-D1394 IonicContact NZ-OD2 2.7Å; K1359-D1394 PolarHBondContact NZ-OD2 3.46Å; H1392-D1394 VanDerWaalsContact C-N 3.28Å; H1392-D1394 IonicContact CE1-OD1 2.74Å; H1392-D1394 IonicContact CE1-OD2 3.68Å; H1392-D1394 PolarHBondContact CE1-OD2 3.35Å; H1392-D1394 VanDerWaalsContact CE1-OD2 3.3Å; H1392-D1394 PolarHBondContact ND1-N 2.77Å; H1392-D1394 IonicContact ND1-OD1 3.69Å; H1392-D1394 IonicContact ND1-OD2 2.88Å; H1392-D1394 PolarHBondContact ND1-OD2 3.14Å; H1392-D1394 PolarHBondContact O-N 3.01Å; D1394-L1397 PolarHBondContact O-N 2.97Å; D1394-L1398 PolarHBondContact O-N 3.19Å; D1394-L1398 VanDerWaalsContact O-N 3.16Å |
| 1395 | I | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.8 | -39.5 | 176 | -58.4 | -61.4 | 0 | 0 | 0 | 110.5 | L1355 R1358 K1359 F1362 D1391 H1392 T1393 L1397 L1398 S1399 | L1355-I1395 HydrophobicContact CD1-CG1 4.05Å; R1358-I1395 HydrophobicContact CB-CD1 3.91Å; K1359-I1395 HydrophobicContact CB-CD1 4.19Å; K1359-I1395 HydrophobicContact CG-CD1 3.6Å; F1362-I1395 HydrophobicContact CD1-CG2 4.44Å; F1362-I1395 HydrophobicContact CD2-CD1 4Å; F1362-I1395 HydrophobicContact CD2-CG2 3.72Å; F1362-I1395 HydrophobicContact CE1-CG2 4.16Å; F1362-I1395 HydrophobicContact CE2-CD1 4.5Å; F1362-I1395 HydrophobicContact CE2-CG2 3.42Å; F1362-I1395 VanDerWaalsContact CE2-CG2 3.42Å; F1362-I1395 HydrophobicContact CG-CG2 4.25Å; F1362-I1395 HydrophobicContact CZ-CG2 3.67Å; D1391-I1395 HydrophobicContact CB-CB 4.01Å; D1391-I1395 HydrophobicContact CB-CG2 3.87Å; H1392-I1395 HydrophobicContact CB-CG1 4.47Å; H1392-I1395 WeakPolarHBondContact O-CB 3.22Å; H1392-I1395 PolarHBondContact O-N 2.92Å; T1393-I1395 VanDerWaalsContact C-N 3.34Å; T1393-I1395 PolarHBondContact O-N 2.93Å; I1395-L1397 VanDerWaalsContact C-N 3.34Å; I1395-L1397 PolarHBondContact O-N 3.46Å; I1395-L1398 PolarHBondContact O-N 3.28Å; I1395-S1399 VanDerWaalsContact O-CB 3.26Å; I1395-S1399 WeakPolarHBondContact O-CB 3.25Å; I1395-S1399 PolarHBondContact O-N 3.07Å; I1395-S1399 PolarHBondContact O-OG 3.45Å |
| 1396 | K | 94.6 | Very high | 91.8 | Very high | 44 Ų | 44 | 35.4 Ų | 35.4 | 19% | 0.191 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.5 | -45.6 | 174.3 | -71.9 | 174.8 | 166.6 | 135.2 | 0 | 111.5 | L1389 D1391 H1392 T1393 S1399 Y1400 L1448 | L1389-K1396 WeakPolarHBondContact O-CE 3.2Å; D1391-K1396 WeakPolarHBondContact O-CD 3.42Å; D1391-K1396 WeakPolarHBondContact O-CE 3.45Å; D1391-K1396 PolarHBondContact O-NZ 2.76Å; H1392-K1396 PolarHBondContact O-N 3.47Å; T1393-K1396 WeakPolarHBondContact O-CB 3.27Å; T1393-K1396 PolarHBondContact O-N 2.89Å; K1396-S1399 PolarHBondContact O-N 3.47Å; K1396-Y1400 HydrophobicContact CB-CE2 4.28Å; K1396-Y1400 WeakPolarHBondContact O-CD2 3.41Å; K1396-Y1400 PolarHBondContact O-N 2.97Å; K1396-L1448 HydrophobicContact CB-CD2 3.63Å; K1396-L1448 HydrophobicContact CD-CD2 4.09Å |
| 1397 | L | 93.3 | Very high | 91.4 | Very high | 22 Ų | 22 | 35.4 Ų | 35.4 | 12% | 0.115 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.8 | -48 | 179.2 | -69.5 | 172.4 | 0 | 0 | 0 | 111.6 | T1393 D1394 I1395 S1399 Y1400 Q1401 E1447 L1448 S1451 | T1393-L1397 HydrophobicContact CG2-CD1 4.32Å; T1393-L1397 WeakPolarHBondContact O-CG 3.4Å; T1393-L1397 PolarHBondContact O-N 3.45Å; D1394-L1397 PolarHBondContact O-N 2.97Å; I1395-L1397 VanDerWaalsContact C-N 3.34Å; I1395-L1397 PolarHBondContact O-N 3.46Å; L1397-S1399 VanDerWaalsContact C-N 3.34Å; L1397-S1399 PolarHBondContact O-N 2.95Å; L1397-Y1400 PolarHBondContact O-N 3.39Å; L1397-Q1401 WeakPolarHBondContact O-CG 3.4Å; L1397-Q1401 PolarHBondContact O-N 3.48Å; L1397-Q1401 VanDerWaalsContact O-N 3.14Å; L1397-E1447 HydrophobicContact CD1-CG 4.38Å; L1397-E1447 HydrophobicContact CD2-CG 3.92Å; L1397-L1448 HydrophobicContact CD2-CD2 3.93Å; L1397-L1448 HydrophobicContact CD2-CG 4.43Å; L1397-L1448 HydrophobicContact CG-CD2 4.07Å; L1397-S1451 WeakPolarHBondContact CD2-OG 3.12Å |
| 1398 | L | 93 | Very high | 90.8 | Very high | 30 Ų | 30 | 35.2 Ų | 35.2 | 16% | 0.157 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 174 | -74 | 168.2 | 0 | 0 | 0 | 111.4 | F1362 E1363 D1394 I1395 Y1400 Q1401 I1402 | F1362-L1398 HydrophobicContact CB-CB 4.13Å; F1362-L1398 HydrophobicContact CB-CD1 4.01Å; E1363-L1398 HydrophobicContact CG-CD1 4.19Å; E1363-L1398 HydrophobicContact CG-CD2 4.16Å; D1394-L1398 PolarHBondContact O-N 3.19Å; D1394-L1398 VanDerWaalsContact O-N 3.16Å; I1395-L1398 PolarHBondContact O-N 3.28Å; L1398-Y1400 VanDerWaalsContact C-N 3.34Å; L1398-Y1400 PolarHBondContact O-N 3.37Å; L1398-Q1401 PolarHBondContact O-N 3.29Å; L1398-I1402 VanDerWaalsContact O-CG1 3.28Å; L1398-I1402 WeakPolarHBondContact O-CG1 3.39Å; L1398-I1402 PolarHBondContact O-N 3.28Å |
| 1399 | S | 95.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.1 | -42.2 | 178.5 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | F1362 I1395 K1396 L1397 Q1401 I1402 L1403 | F1362-S1399 WeakPolarHBondContact CE1-OG 3.31Å; I1395-S1399 VanDerWaalsContact O-CB 3.26Å; I1395-S1399 WeakPolarHBondContact O-CB 3.25Å; I1395-S1399 PolarHBondContact O-N 3.07Å; I1395-S1399 PolarHBondContact O-OG 3.45Å; K1396-S1399 PolarHBondContact O-N 3.47Å; L1397-S1399 VanDerWaalsContact C-N 3.34Å; L1397-S1399 PolarHBondContact O-N 2.95Å; S1399-Q1401 PolarHBondContact O-N 3.36Å; S1399-I1402 PolarHBondContact O-N 3.38Å; S1399-L1403 VanDerWaalsContact O-CB 3.28Å; S1399-L1403 WeakPolarHBondContact O-CB 3.36Å; S1399-L1403 WeakPolarHBondContact O-CD1 3.27Å; S1399-L1403 WeakPolarHBondContact O-CG 3.44Å; S1399-L1403 PolarHBondContact O-N 3.37Å |
| 1400 | Y | 94.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.5 | -76.8 | -53.1 | 0 | 0 | 0 | 112.5 | L1389 K1396 L1397 L1398 L1403 Q1404 L1425 V1428 L1448 A1452 L1455 | L1389-Y1400 HydrophobicContact CD1-CE1 4.24Å; L1389-Y1400 HydrophobicContact CD2-CD1 3.58Å; L1389-Y1400 HydrophobicContact CD2-CD2 4.22Å; L1389-Y1400 HydrophobicContact CD2-CE1 3.42Å; L1389-Y1400 VanDerWaalsContact CD2-CE1 3.42Å; L1389-Y1400 HydrophobicContact CD2-CE2 4.11Å; L1389-Y1400 HydrophobicContact CD2-CG 3.96Å; L1389-Y1400 HydrophobicContact CG-CE1 4.45Å; K1396-Y1400 HydrophobicContact CB-CE2 4.28Å; K1396-Y1400 WeakPolarHBondContact O-CD2 3.41Å; K1396-Y1400 PolarHBondContact O-N 2.97Å; L1397-Y1400 PolarHBondContact O-N 3.39Å; L1398-Y1400 VanDerWaalsContact C-N 3.34Å; L1398-Y1400 PolarHBondContact O-N 3.37Å; Y1400-L1403 PolarHBondContact O-N 2.99Å; Y1400-Q1404 VanDerWaalsContact O-CG 3.32Å; Y1400-Q1404 WeakPolarHBondContact O-CG 3.26Å; Y1400-Q1404 PolarHBondContact O-N 2.98Å; Y1400-L1425 HydrophobicContact CE1-CD2 3.64Å; Y1400-V1428 WeakPolarHBondContact OH-CG2 3.35Å; Y1400-L1448 HydrophobicContact CE2-CD2 4.1Å; Y1400-A1452 HydrophobicContact CE1-CB 4Å; Y1400-A1452 HydrophobicContact CE2-CB 4.3Å; Y1400-L1455 HydrophobicContact CD1-CB 4.22Å; Y1400-L1455 HydrophobicContact CD1-CD2 3.78Å; Y1400-L1455 HydrophobicContact CE1-CD2 4.21Å |
| 1401 | Q | 90.9 | Very high | 88 | Confident | 102 Ų | 102 | 35.4 Ų | 35.4 | 48% | 0.477 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.5 | -46.2 | 178.5 | -69.8 | 173.4 | -10.1 | 0 | 0 | 111.5 | L1397 L1398 S1399 L1403 Q1404 R1405 | L1397-Q1401 WeakPolarHBondContact O-CG 3.4Å; L1397-Q1401 PolarHBondContact O-N 3.48Å; L1397-Q1401 VanDerWaalsContact O-N 3.14Å; L1398-Q1401 PolarHBondContact O-N 3.29Å; S1399-Q1401 PolarHBondContact O-N 3.36Å; Q1401-L1403 PolarHBondContact O-N 3.42Å; Q1401-Q1404 WeakPolarHBondContact O-CB 3.42Å; Q1401-Q1404 PolarHBondContact O-N 3.29Å; Q1401-R1405 PolarHBondContact O-N 3.47Å; Q1401-R1405 VanDerWaalsContact O-N 3.14Å |
| 1402 | I | 92.5 | Very high | 87.1 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 178.9 | -58.2 | 164 | 0 | 0 | 0 | 110.3 | F1362 M1365 L1369 F1381 L1385 L1398 S1399 Q1404 R1405 I1406 | F1362-I1402 HydrophobicContact CB-CD1 4.45Å; F1362-I1402 HydrophobicContact CD1-CD1 4.23Å; F1362-I1402 VanDerWaalsContact O-CD1 3.29Å; F1362-I1402 WeakPolarHBondContact O-CD1 2.9Å; M1365-I1402 HydrophobicContact CB-CD1 4.49Å; L1369-I1402 HydrophobicContact CD2-CG2 3.81Å; F1381-I1402 HydrophobicContact CE1-CG2 3.91Å; L1385-I1402 HydrophobicContact CD1-CB 4.24Å; L1385-I1402 HydrophobicContact CD1-CG2 3.52Å; L1385-I1402 HydrophobicContact CD2-CB 3.86Å; L1385-I1402 HydrophobicContact CD2-CD1 3.75Å; L1385-I1402 HydrophobicContact CD2-CG1 4.43Å; L1385-I1402 HydrophobicContact CD2-CG2 3.75Å; L1385-I1402 HydrophobicContact CG-CG2 4.3Å; L1398-I1402 VanDerWaalsContact O-CG1 3.28Å; L1398-I1402 WeakPolarHBondContact O-CG1 3.39Å; L1398-I1402 PolarHBondContact O-N 3.28Å; S1399-I1402 PolarHBondContact O-N 3.38Å; I1402-Q1404 PolarHBondContact O-N 3.02Å; I1402-R1405 WeakPolarHBondContact O-CB 3.38Å; I1402-R1405 PolarHBondContact O-N 2.97Å; I1402-R1405 VanDerWaalsContact O-N 3.09Å; I1402-I1406 HydrophobicContact CG2-CD1 4.16Å; I1402-I1406 WeakPolarHBondContact O-CG1 3.21Å; I1402-I1406 PolarHBondContact O-N 3.33Å |
| 1403 | L | 93.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.4 | -36.5 | 176.7 | -74.3 | 169 | 0 | 0 | 0 | 113.1 | L1382 L1385 L1389 S1399 Y1400 Q1401 R1405 I1406 S1407 I1414 L1421 L1455 | L1382-L1403 HydrophobicContact CD1-CD2 3.31Å; L1385-L1403 HydrophobicContact CB-CD2 3.96Å; L1385-L1403 HydrophobicContact CB-CG 4.13Å; L1385-L1403 HydrophobicContact CD1-CD2 4.14Å; L1385-L1403 HydrophobicContact CD1-CG 4.43Å; L1389-L1403 HydrophobicContact CD1-CD1 3.58Å; L1389-L1403 HydrophobicContact CD2-CD1 3.98Å; L1389-L1403 HydrophobicContact CG-CD1 3.87Å; S1399-L1403 VanDerWaalsContact O-CB 3.28Å; S1399-L1403 WeakPolarHBondContact O-CB 3.36Å; S1399-L1403 WeakPolarHBondContact O-CD1 3.27Å; S1399-L1403 WeakPolarHBondContact O-CG 3.44Å; S1399-L1403 PolarHBondContact O-N 3.37Å; Y1400-L1403 PolarHBondContact O-N 2.99Å; Q1401-L1403 PolarHBondContact O-N 3.42Å; L1403-R1405 PolarHBondContact O-N 2.85Å; L1403-I1406 PolarHBondContact O-N 2.9Å; L1403-S1407 PolarHBondContact O-N 3.21Å; L1403-I1414 HydrophobicContact CD2-CD1 4.01Å; L1403-L1421 HydrophobicContact CD1-CD1 4.01Å; L1403-L1455 HydrophobicContact CB-CD1 3.87Å; L1403-L1455 HydrophobicContact CB-CD2 3.88Å; L1403-L1455 HydrophobicContact CD1-CD2 4.02Å |
| 1404 | Q | 89.7 | Confident | 86.1 | Confident | 57 Ų | 57 | 34.4 Ų | 34.4 | 27% | 0.266 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.3 | -35.8 | 172.2 | -78.5 | 172.8 | 11.5 | 0 | 0 | 111.3 | Y1400 Q1401 I1402 S1407 S1451 L1455 | Y1400-Q1404 VanDerWaalsContact O-CG 3.32Å; Y1400-Q1404 WeakPolarHBondContact O-CG 3.26Å; Y1400-Q1404 PolarHBondContact O-N 2.98Å; Q1401-Q1404 WeakPolarHBondContact O-CB 3.42Å; Q1401-Q1404 PolarHBondContact O-N 3.29Å; I1402-Q1404 PolarHBondContact O-N 3.02Å; Q1404-S1407 PolarHBondContact O-OG 2.89Å; Q1404-S1451 PolarHBondContact NE2-O 2.9Å; Q1404-L1455 HydrophobicContact CB-CD1 4.45Å; Q1404-L1455 HydrophobicContact CG-CB 4Å; Q1404-L1455 HydrophobicContact CG-CD1 3.83Å |
| 1405 | R | 83.7 | Confident | 85.5 | Confident | 92 Ų | 92 | 32.4 Ų | 32.4 | 35% | 0.347 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -70.2 | -43.5 | 175.5 | -168.9 | 60.6 | 172.7 | 169.5 | 0.7 | 111.4 | L1369 Q1401 I1402 L1403 S1407 I1408 I1409 | L1369-R1405 HydrophobicContact CD2-CB 3.83Å; L1369-R1405 HydrophobicContact CD2-CG 3.69Å; L1369-R1405 HydrophobicContact CG-CG 4.45Å; Q1401-R1405 PolarHBondContact O-N 3.47Å; Q1401-R1405 VanDerWaalsContact O-N 3.14Å; I1402-R1405 WeakPolarHBondContact O-CB 3.38Å; I1402-R1405 PolarHBondContact O-N 2.97Å; I1402-R1405 VanDerWaalsContact O-N 3.09Å; L1403-R1405 PolarHBondContact O-N 2.85Å; R1405-S1407 VanDerWaalsContact C-N 3.33Å; R1405-S1407 PolarHBondContact O-N 3.31Å; R1405-I1408 PolarHBondContact O-N 3.45Å; R1405-I1409 HydrophobicContact CG-CD1 3.82Å; R1405-I1409 WeakPolarHBondContact O-CG1 3.5Å; R1405-I1409 PolarHBondContact O-N 3.45Å; R1405-I1409 VanDerWaalsContact O-N 3.13Å |
| 1406 | I | 85.8 | Confident | 84.6 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.6 | -34.1 | 177 | -63.7 | 175.6 | 0 | 0 | 0 | 111.8 | L1369 I1378 F1381 L1385 I1402 L1403 I1408 I1409 R1410 I1414 | L1369-I1406 HydrophobicContact CD1-CG1 4Å; L1369-I1406 HydrophobicContact CD2-CD1 4.36Å; L1369-I1406 HydrophobicContact CD2-CG1 3.63Å; I1378-I1406 HydrophobicContact CG2-CG2 4.31Å; F1381-I1406 HydrophobicContact CD1-CD1 3.81Å; F1381-I1406 HydrophobicContact CE1-CD1 3.96Å; L1385-I1406 HydrophobicContact CD1-CD1 3.24Å; I1402-I1406 HydrophobicContact CG2-CD1 4.16Å; I1402-I1406 WeakPolarHBondContact O-CG1 3.21Å; I1402-I1406 PolarHBondContact O-N 3.33Å; L1403-I1406 PolarHBondContact O-N 2.9Å; I1406-I1408 PolarHBondContact O-N 3.27Å; I1406-I1409 PolarHBondContact O-N 3.29Å; I1406-R1410 HydrophobicContact CG2-CB 4.25Å; I1406-R1410 CarbonylContact O-C 3.58Å; I1406-R1410 WeakPolarHBondContact O-CA 3.48Å; I1406-R1410 PolarHBondContact O-N 2.92Å; I1406-I1414 HydrophobicContact CB-CD1 4.33Å; I1406-I1414 HydrophobicContact CG2-CD1 3.82Å; I1406-I1414 HydrophobicContact CG2-CG1 3.93Å |
| 1407 | S | 83.8 | Confident | 84 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -27.7 | 177 | 74.2 | 0 | 0 | 0 | 0 | 113 | L1403 Q1404 R1405 P1411 S1458 | L1403-S1407 PolarHBondContact O-N 3.21Å; Q1404-S1407 PolarHBondContact O-OG 2.89Å; R1405-S1407 VanDerWaalsContact C-N 3.33Å; R1405-S1407 PolarHBondContact O-N 3.31Å; S1407-P1411 WeakPolarHBondContact O-CB 3.21Å; S1407-S1458 PolarHBondContact OG-OG 2.87Å |
| 1408 | I | 78.2 | Confident | 83.6 | Confident | 84 Ų | 84 | 32.5 Ų | 32.5 | 43% | 0.431 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -82 | -45.1 | 174.7 | -59.4 | 167.3 | 0 | 0 | 0 | 111 | R1405 I1406 | R1405-I1408 PolarHBondContact O-N 3.45Å; I1406-I1408 PolarHBondContact O-N 3.27Å |
| 1409 | I | 70 | Confident | 83.1 | Confident | 52 Ų | 52 | 36.5 Ų | 36.5 | 27% | 0.267 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -77 | -42 | -173.6 | -57.8 | 169.2 | 0 | 0 | 0 | 111.6 | L1369 L1373 R1405 I1406 | L1369-I1409 HydrophobicContact CD1-CD1 4.28Å; L1369-I1409 HydrophobicContact CD2-CD1 4.46Å; L1369-I1409 HydrophobicContact CG-CD1 4.19Å; L1373-I1409 HydrophobicContact CD1-CD1 4.35Å; L1373-I1409 HydrophobicContact CD1-CG2 3.89Å; L1373-I1409 HydrophobicContact CD2-CG2 3.77Å; L1373-I1409 HydrophobicContact CG-CG2 4.49Å; R1405-I1409 HydrophobicContact CG-CD1 3.82Å; R1405-I1409 WeakPolarHBondContact O-CG1 3.5Å; R1405-I1409 PolarHBondContact O-N 3.45Å; R1405-I1409 VanDerWaalsContact O-N 3.13Å; I1406-I1409 PolarHBondContact O-N 3.29Å |
| 1410 | R | 73.3 | Confident | 82.8 | Confident | 47 Ų | 47 | 39.9 Ų | 39.9 | 18% | 0.177 | 20% | 0.196 | C | C | . | . | trans | -134.8 | 67.9 | -175.3 | -62.4 | -61.5 | -177 | 136.9 | 7.8 | 111.6 | V417 T419 I1378 I1406 M1412 E1413 | V417-R1410 PolarHBondContact O-NH1 2.94Å; T419-R1410 PolarHBondContact OG1-NH2 3.05Å; I1378-R1410 HydrophobicContact CG1-CG 4.27Å; I1378-R1410 HydrophobicContact CG2-CB 4.41Å; I1378-R1410 HydrophobicContact CG2-CG 4.26Å; I1406-R1410 HydrophobicContact CG2-CB 4.25Å; I1406-R1410 CarbonylContact O-C 3.58Å; I1406-R1410 WeakPolarHBondContact O-CA 3.48Å; I1406-R1410 PolarHBondContact O-N 2.92Å; R1410-M1412 VanDerWaalsContact C-N 3.27Å; R1410-M1412 PolarHBondContact O-N 3.33Å; R1410-E1413 HydrophobicContact CB-CB 4.33Å; R1410-E1413 HydrophobicContact CB-CG 4.38Å; R1410-E1413 PolarHBondContact O-N 3.38Å | ||
| 1411 | P | 77.8 | Confident | 82.6 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 26% | 0.26 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.6 | -34.9 | -176.5 | 24.1 | -35.5 | 0 | 0 | 0 | 113.4 | S1407 I1414 S1415 I1462 | S1407-P1411 WeakPolarHBondContact O-CB 3.21Å; P1411-I1414 PolarHBondContact O-N 2.94Å; P1411-S1415 PolarHBondContact O-N 3.33Å; P1411-I1462 HydrophobicContact CB-CB 4.21Å; P1411-I1462 HydrophobicContact CB-CD1 4.29Å; P1411-I1462 HydrophobicContact CB-CG1 3.65Å; P1411-I1462 HydrophobicContact CB-CG2 4.06Å |
| 1412 | M | 73.5 | Confident | 82.7 | Confident | 65 Ų | 65 | 35.4 Ų | 35.4 | 32% | 0.32 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.2 | -38.7 | -177 | -61.6 | -59.8 | 174.5 | 0 | 0 | 113 | R329 R1410 S1415 A1416 | R329-M1412 PolarHBondContact NH1-SD 2.88Å; R1410-M1412 VanDerWaalsContact C-N 3.27Å; R1410-M1412 PolarHBondContact O-N 3.33Å; M1412-S1415 PolarHBondContact O-N 3.01Å; M1412-A1416 WeakPolarHBondContact O-CB 3.34Å; M1412-A1416 PolarHBondContact O-N 2.85Å |
| 1413 | E | 76.3 | Confident | 82.7 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 15% | 0.15 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 176.8 | -73.8 | -71.5 | 162.9 | 0 | 0 | 111.3 | I1378 L1382 R1410 A1416 K1417 | I1378-E1413 HydrophobicContact CG2-CG 4.42Å; L1382-E1413 HydrophobicContact CD2-CB 4.34Å; R1410-E1413 HydrophobicContact CB-CB 4.33Å; R1410-E1413 HydrophobicContact CB-CG 4.38Å; R1410-E1413 PolarHBondContact O-N 3.38Å; E1413-A1416 PolarHBondContact O-N 3.21Å; E1413-K1417 PolarHBondContact O-N 2.7Å; E1413-K1417 VanDerWaalsContact O-N 3.16Å |
| 1414 | I | 84.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -45.4 | 174.7 | -63.8 | -68.9 | 0 | 0 | 0 | 110.8 | L1382 L1403 I1406 P1411 A1416 K1417 M1418 L1421 L1459 I1462 | L1382-I1414 HydrophobicContact CD1-CD1 3.62Å; L1382-I1414 HydrophobicContact CD2-CD1 4.21Å; L1403-I1414 HydrophobicContact CD2-CD1 4.01Å; I1406-I1414 HydrophobicContact CB-CD1 4.33Å; I1406-I1414 HydrophobicContact CG2-CD1 3.82Å; I1406-I1414 HydrophobicContact CG2-CG1 3.93Å; P1411-I1414 PolarHBondContact O-N 2.94Å; I1414-A1416 VanDerWaalsContact C-N 3.26Å; I1414-A1416 PolarHBondContact O-N 3.44Å; I1414-K1417 CarbonylContact O-C 3.47Å; I1414-K1417 PolarHBondContact O-N 2.91Å; I1414-M1418 PolarHBondContact O-N 3.34Å; I1414-M1418 VanDerWaalsContact O-N 3.12Å; I1414-L1421 HydrophobicContact CG2-CD2 3.93Å; I1414-L1459 HydrophobicContact CG2-CD2 3.38Å; I1414-I1462 HydrophobicContact CB-CD1 4.13Å; I1414-I1462 HydrophobicContact CG2-CD1 3.91Å |
| 1415 | S | 77.4 | Confident | 82.9 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -37.4 | 176.1 | -175.2 | 0 | 0 | 0 | 0 | 112.4 | P1411 M1412 M1418 | P1411-S1415 PolarHBondContact O-N 3.33Å; M1412-S1415 PolarHBondContact O-N 3.01Å; S1415-M1418 WeakPolarHBondContact O-CB 3.29Å; S1415-M1418 PolarHBondContact O-N 3.2Å |
| 1416 | A | 74.6 | Confident | 83.4 | Confident | 36 Ų | 36 | 36.4 Ų | 36.4 | 30% | 0.298 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68.1 | -35.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q285 M1412 E1413 I1414 | Q285-A1416 VanDerWaalsContact OE1-CA 3.31Å; Q285-A1416 VanDerWaalsContact OE1-CB 3.28Å; M1412-A1416 WeakPolarHBondContact O-CB 3.34Å; M1412-A1416 PolarHBondContact O-N 2.85Å; E1413-A1416 PolarHBondContact O-N 3.21Å; I1414-A1416 VanDerWaalsContact C-N 3.26Å; I1414-A1416 PolarHBondContact O-N 3.44Å |
| 1417 | K | 81.8 | Confident | 83.7 | Confident | 32 Ų | 32 | 39.4 Ų | 39.4 | 14% | 0.139 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 9.1 | 179.1 | -71 | -76.3 | -168.7 | 166 | 0 | 114.1 | R332 L1382 E1383 I1386 E1413 I1414 E1419 I1420 L1421 | R332-K1417 VanDerWaalsContact CZ-CE 3.49Å; L1382-K1417 HydrophobicContact CD2-CB 4.06Å; L1382-K1417 HydrophobicContact CD2-CG 3.83Å; E1383-K1417 IonicContact OE1-NZ 2.85Å; E1383-K1417 PolarHBondContact OE1-NZ 3.01Å; I1386-K1417 HydrophobicContact CD1-CB 3.97Å; I1386-K1417 HydrophobicContact CD1-CG 4.42Å; E1413-K1417 PolarHBondContact O-N 2.7Å; E1413-K1417 VanDerWaalsContact O-N 3.16Å; I1414-K1417 CarbonylContact O-C 3.47Å; I1414-K1417 PolarHBondContact O-N 2.91Å; K1417-E1419 PolarHBondContact O-N 3.12Å; K1417-E1419 VanDerWaalsContact O-N 3.14Å; K1417-I1420 HydrophobicContact CD-CD1 3.9Å; K1417-I1420 PolarHBondContact O-N 3.44Å; K1417-L1421 WeakPolarHBondContact O-CB 3.26Å; K1417-L1421 PolarHBondContact O-N 2.65Å |
| 1418 | M | 85.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.6 | -32.9 | -174 | -167.9 | 63.1 | -160.5 | 0 | 0 | 113.5 | I1414 S1415 I1420 L1421 A1422 L1459 H1470 Y1471 L1474 | I1414-M1418 PolarHBondContact O-N 3.34Å; I1414-M1418 VanDerWaalsContact O-N 3.12Å; S1415-M1418 WeakPolarHBondContact O-CB 3.29Å; S1415-M1418 PolarHBondContact O-N 3.2Å; M1418-I1420 PolarHBondContact O-N 2.88Å; M1418-L1421 PolarHBondContact O-N 3.14Å; M1418-L1421 HydrophobicContact SD-CD2 4.22Å; M1418-A1422 HydrophobicContact CE-CB 4.31Å; M1418-A1422 WeakPolarHBondContact O-CB 3.34Å; M1418-A1422 PolarHBondContact O-N 2.93Å; M1418-L1459 HydrophobicContact CE-CD1 3.85Å; M1418-L1459 HydrophobicContact SD-CD1 3.83Å; M1418-H1470 HydrophobicContact CG-CB 4.1Å; M1418-Y1471 HydrophobicContact CE-CD2 3.97Å; M1418-L1474 HydrophobicContact CE-CD1 3.48Å; M1418-L1474 VanDerWaalsContact CE-CD1 3.48Å |
| 1419 | E | 83.5 | Confident | 84.7 | Confident | 114 Ų | 114 | 36.1 Ų | 36.1 | 53% | 0.533 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60 | -45.2 | 175.4 | 176.4 | 166.7 | -149.1 | 0 | 0 | 112.2 | K1417 R1469 | K1417-E1419 PolarHBondContact O-N 3.12Å; K1417-E1419 VanDerWaalsContact O-N 3.14Å; E1419-R1469 IonicContact OE1-NH2 2.68Å |
| 1420 | I | 88 | Confident | 85.8 | Confident | 70 Ų | 70 | 38.3 Ų | 38.3 | 36% | 0.359 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -77 | -38.4 | -178.9 | -50 | 177.1 | 0 | 0 | 0 | 110.1 | I1386 K1417 M1418 P1424 | I1386-I1420 HydrophobicContact CG2-CG2 3.78Å; K1417-I1420 HydrophobicContact CD-CD1 3.9Å; K1417-I1420 PolarHBondContact O-N 3.44Å; M1418-I1420 PolarHBondContact O-N 2.88Å; I1420-P1424 WeakPolarHBondContact O-CD 3.25Å |
| 1421 | L | 91.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68 | -34.3 | 179 | -179.8 | 62.6 | 0 | 0 | 0 | 112.9 | I1386 L1389 L1403 I1414 K1417 M1418 V1423 P1424 L1425 L1455 L1459 | I1386-L1421 HydrophobicContact CG1-CD1 4.27Å; L1389-L1421 HydrophobicContact CD1-CD1 3.52Å; L1403-L1421 HydrophobicContact CD1-CD1 4.01Å; I1414-L1421 HydrophobicContact CG2-CD2 3.93Å; K1417-L1421 WeakPolarHBondContact O-CB 3.26Å; K1417-L1421 PolarHBondContact O-N 2.65Å; M1418-L1421 PolarHBondContact O-N 3.14Å; M1418-L1421 HydrophobicContact SD-CD2 4.22Å; L1421-V1423 VanDerWaalsContact C-N 3.27Å; L1421-V1423 PolarHBondContact O-N 2.95Å; L1421-P1424 VanDerWaalsContact O-CD 3.24Å; L1421-P1424 WeakPolarHBondContact O-CD 3.42Å; L1421-P1424 WeakPolarHBondContact O-CG 3.42Å; L1421-L1425 HydrophobicContact CD1-CD1 4.42Å; L1421-L1425 HydrophobicContact CG-CD1 3.98Å; L1421-L1425 WeakPolarHBondContact O-CG 3.32Å; L1421-L1425 PolarHBondContact O-N 3.32Å; L1421-L1455 HydrophobicContact CD1-CD2 4.4Å; L1421-L1459 HydrophobicContact CD2-CD1 4.45Å |
| 1422 | A | 91.6 | Very high | 86.7 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 7% | 0.066 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.9 | -26.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1418 K1426 H1470 L1474 | M1418-A1422 HydrophobicContact CE-CB 4.31Å; M1418-A1422 WeakPolarHBondContact O-CB 3.34Å; M1418-A1422 PolarHBondContact O-N 2.93Å; A1422-K1426 WeakPolarHBondContact O-CB 3.47Å; A1422-K1426 PolarHBondContact O-N 3.25Å; A1422-H1470 HydrophobicContact CB-CB 3.84Å; A1422-L1474 HydrophobicContact CB-CD1 4.22Å |
| 1423 | V | 93.6 | Very high | 86.9 | Confident | 87 Ų | 87 | 44.2 Ų | 44.2 | 53% | 0.527 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.8 | -57.4 | -179.5 | 177.6 | 0 | 0 | 0 | 0 | 112.5 | L1421 L1425 K1426 A1427 | L1421-V1423 VanDerWaalsContact C-N 3.27Å; L1421-V1423 PolarHBondContact O-N 2.95Å; V1423-L1425 VanDerWaalsContact C-N 3.32Å; V1423-L1425 PolarHBondContact O-N 3.19Å; V1423-K1426 PolarHBondContact O-N 3.49Å; V1423-A1427 PolarHBondContact O-N 3.37Å |
| 1424 | P | 93.4 | Very high | 87 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 5% | 0.045 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -34.4 | 176.9 | 25.2 | -33.7 | 0 | 0 | 0 | 112.5 | L1389 R1390 I1420 L1421 A1427 V1428 | L1389-P1424 HydrophobicContact CB-CB 3.74Å; L1389-P1424 HydrophobicContact CB-CG 3.96Å; L1389-P1424 HydrophobicContact CD1-CB 4.33Å; L1389-P1424 HydrophobicContact CD1-CG 3.84Å; R1390-P1424 HydrophobicContact CG-CB 4.43Å; I1420-P1424 WeakPolarHBondContact O-CD 3.25Å; L1421-P1424 VanDerWaalsContact O-CD 3.24Å; L1421-P1424 WeakPolarHBondContact O-CD 3.42Å; L1421-P1424 WeakPolarHBondContact O-CG 3.42Å; P1424-A1427 PolarHBondContact O-N 3.46Å; P1424-V1428 PolarHBondContact O-N 3.35Å |
| 1425 | L | 94.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 174.1 | -74.7 | 172.2 | 0 | 0 | 0 | 111.9 | Y1400 L1421 V1423 A1427 V1428 L1429 A1452 L1455 I1456 L1474 | Y1400-L1425 HydrophobicContact CE1-CD2 3.64Å; L1421-L1425 HydrophobicContact CD1-CD1 4.42Å; L1421-L1425 HydrophobicContact CG-CD1 3.98Å; L1421-L1425 WeakPolarHBondContact O-CG 3.32Å; L1421-L1425 PolarHBondContact O-N 3.32Å; V1423-L1425 VanDerWaalsContact C-N 3.32Å; V1423-L1425 PolarHBondContact O-N 3.19Å; L1425-A1427 VanDerWaalsContact C-N 3.3Å; L1425-A1427 PolarHBondContact O-N 3.46Å; L1425-V1428 PolarHBondContact O-N 3.39Å; L1425-L1429 WeakPolarHBondContact O-CG 3.4Å; L1425-L1429 PolarHBondContact O-N 3.25Å; L1425-A1452 HydrophobicContact CD2-CB 3.98Å; L1425-L1455 HydrophobicContact CD2-CD2 4.3Å; L1425-I1456 HydrophobicContact CD1-CG1 4.13Å; L1425-I1456 HydrophobicContact CD2-CD1 4.27Å; L1425-I1456 HydrophobicContact CD2-CG1 4.24Å; L1425-L1474 HydrophobicContact CB-CD1 4.13Å; L1425-L1474 HydrophobicContact CB-CD2 3.94Å; L1425-L1474 HydrophobicContact CD1-CD1 3.79Å |
| 1426 | K | 93.5 | Very high | 87 | Confident | 77 Ų | 77 | 64.6 Ų | 64.6 | 34% | 0.335 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 176.5 | 179.4 | 161.7 | -177 | 167.9 | 0 | 111.6 | A1422 V1423 L1429 L1430 E1473 L1474 I1477 | A1422-K1426 WeakPolarHBondContact O-CB 3.47Å; A1422-K1426 PolarHBondContact O-N 3.25Å; V1423-K1426 PolarHBondContact O-N 3.49Å; K1426-L1429 PolarHBondContact O-N 3.26Å; K1426-L1430 HydrophobicContact CD-CD1 4.29Å; K1426-L1430 HydrophobicContact CG-CD1 3.61Å; K1426-L1430 HydrophobicContact CG-CG 4.24Å; K1426-L1430 WeakPolarHBondContact O-CB 3.49Å; K1426-L1430 VanDerWaalsContact O-CG 3.31Å; K1426-L1430 WeakPolarHBondContact O-CG 3.35Å; K1426-L1430 PolarHBondContact O-N 3.42Å; K1426-E1473 IonicContact NZ-OE1 2.74Å; K1426-E1473 PolarHBondContact NZ-OE1 2.72Å; K1426-L1474 HydrophobicContact CB-CD2 4.06Å; K1426-I1477 HydrophobicContact CB-CD1 4.48Å; K1426-I1477 HydrophobicContact CD-CD1 3.67Å; K1426-I1477 HydrophobicContact CG-CD1 3.72Å |
| 1427 | A | 92.7 | Very high | 87.3 | Confident | 65 Ų | 65 | 66.1 Ų | 66.1 | 54% | 0.537 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1423 P1424 L1425 S1431 | V1423-A1427 PolarHBondContact O-N 3.37Å; P1424-A1427 PolarHBondContact O-N 3.46Å; L1425-A1427 VanDerWaalsContact C-N 3.3Å; L1425-A1427 PolarHBondContact O-N 3.46Å; A1427-S1431 PolarHBondContact O-N 2.97Å |
| 1428 | V | 92.2 | Very high | 87.5 | Confident | 13 Ų | 13 | 68.8 Ų | 68.8 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.8 | -48.3 | 176.2 | 173 | 0 | 0 | 0 | 0 | 111 | Y1400 P1424 L1425 L1430 S1431 L1448 N1449 A1452 | Y1400-V1428 WeakPolarHBondContact OH-CG2 3.35Å; P1424-V1428 PolarHBondContact O-N 3.35Å; L1425-V1428 PolarHBondContact O-N 3.39Å; V1428-L1430 VanDerWaalsContact C-N 3.29Å; V1428-L1430 PolarHBondContact O-N 2.88Å; V1428-S1431 VanDerWaalsContact O-CB 3.32Å; V1428-S1431 WeakPolarHBondContact O-CB 3.44Å; V1428-S1431 PolarHBondContact O-N 3.18Å; V1428-S1431 VanDerWaalsContact O-N 3.1Å; V1428-S1431 PolarHBondContact O-OG 2.83Å; V1428-L1448 HydrophobicContact CG1-CB 4.28Å; V1428-N1449 WeakPolarHBondContact CG1-OD1 3.49Å; V1428-N1449 PolarHBondContact O-OD1 3.46Å; V1428-A1452 HydrophobicContact CG1-CB 4.04Å |
| 1429 | L | 91.3 | Very high | 87.5 | Confident | 7 Ų | 7 | 76.1 Ų | 76.1 | 4% | 0.037 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.3 | -32.2 | -179.5 | -66 | 176.5 | 0 | 0 | 0 | 113.8 | L1425 K1426 S1431 L1453 I1456 L1474 I1477 I1478 L1484 | L1425-L1429 WeakPolarHBondContact O-CG 3.4Å; L1425-L1429 PolarHBondContact O-N 3.25Å; K1426-L1429 PolarHBondContact O-N 3.26Å; L1429-S1431 VanDerWaalsContact C-N 3.35Å; L1429-L1453 HydrophobicContact CD2-CD2 3.81Å; L1429-L1453 HydrophobicContact CD2-CG 4.11Å; L1429-I1456 HydrophobicContact CD1-CD1 3.76Å; L1429-I1456 HydrophobicContact CG-CD1 4.49Å; L1429-L1474 HydrophobicContact CD1-CD2 4.01Å; L1429-I1477 HydrophobicContact CB-CG2 4.11Å; L1429-I1477 HydrophobicContact CD1-CG2 4.45Å; L1429-I1478 HydrophobicContact CD1-CD1 4.28Å; L1429-I1478 HydrophobicContact CD1-CG1 3.95Å; L1429-I1478 HydrophobicContact CD2-CG1 4.44Å; L1429-L1484 HydrophobicContact CB-CD1 4.22Å; L1429-L1484 HydrophobicContact CD2-CD1 4.22Å; L1429-L1484 HydrophobicContact CD2-CD2 4.24Å |
| 1430 | L | 91.9 | Very high | 87.5 | Confident | 97 Ų | 97 | 77.5 Ų | 77.5 | 51% | 0.508 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -2.3 | 179.2 | -66.7 | 177.5 | 0 | 0 | 0 | 113.6 | K1426 V1428 K1432 I1477 | K1426-L1430 HydrophobicContact CD-CD1 4.29Å; K1426-L1430 HydrophobicContact CG-CD1 3.61Å; K1426-L1430 HydrophobicContact CG-CG 4.24Å; K1426-L1430 WeakPolarHBondContact O-CB 3.49Å; K1426-L1430 VanDerWaalsContact O-CG 3.31Å; K1426-L1430 WeakPolarHBondContact O-CG 3.35Å; K1426-L1430 PolarHBondContact O-N 3.42Å; V1428-L1430 VanDerWaalsContact C-N 3.29Å; V1428-L1430 PolarHBondContact O-N 2.88Å; L1430-K1432 PolarHBondContact O-N 2.98Å; L1430-I1477 HydrophobicContact CD2-CG2 3.76Å; L1430-I1477 HydrophobicContact CG-CG2 4.33Å |
| 1431 | S | 86.9 | Confident | 87.2 | Confident | 34 Ų | 34 | 78.6 Ų | 78.6 | 24% | 0.238 | 40% | 0.404 | C | S | . | . | trans | -69.6 | 127.4 | -180 | 69.8 | 0 | 0 | 0 | 0 | 110.5 | A1427 V1428 L1429 M1445 | A1427-S1431 PolarHBondContact O-N 2.97Å; V1428-S1431 VanDerWaalsContact O-CB 3.32Å; V1428-S1431 WeakPolarHBondContact O-CB 3.44Å; V1428-S1431 PolarHBondContact O-N 3.18Å; V1428-S1431 VanDerWaalsContact O-N 3.1Å; V1428-S1431 PolarHBondContact O-OG 2.83Å; L1429-S1431 VanDerWaalsContact C-N 3.35Å; S1431-M1445 VanDerWaalsContact CB-CE 3.47Å; S1431-M1445 WeakPolarHBondContact OG-CE 3.19Å; S1431-M1445 PolarHBondContact OG-SD 3.46Å | ||
| 1432 | K | 82.7 | Confident | 86.8 | Confident | 175 Ų | 175 | 81.5 Ų | 81.5 | 76% | 0.761 | 42% | 0.418 | S | S | * | . | trans | -106.3 | 141.9 | 177.4 | -67.4 | -173 | 179.4 | -176.5 | 0 | 109.9 | L1430 | L1430-K1432 PolarHBondContact O-N 2.98Š| ||
| 1433 | P | 77.5 | Confident | 86.5 | Confident | 68 Ų | 68 | 85.7 Ų | 85.7 | 44% | 0.442 | 44% | 0.437 | S | S | . | . | trans | -62.2 | 139.6 | 171.6 | 26 | -31.7 | 0 | 0 | 0 | 110.9 | W1437 M1442 | P1433-W1437 HydrophobicContact CB-CE3 3.77Å; P1433-W1437 HydrophobicContact CB-CZ3 3.97Å; P1433-M1442 HydrophobicContact CB-CE 3.25Å; P1433-M1442 HydrophobicContact CB-SD 3.66Å; P1433-M1442 HydrophobicContact CG-CE 3.93Å; P1433-M1442 HydrophobicContact CG-SD 4.12Å | ||
| 1434 | K | 79.3 | Confident | 86.1 | Confident | 142 Ų | 142 | 86.3 Ų | 86.3 | 62% | 0.617 | 43% | 0.432 | S | S | * | . | trans | -84.5 | 151.2 | 170.9 | -58 | -177.5 | -178.5 | 177.9 | 0 | 109.3 | D1436 W1437 | K1434-D1436 PolarHBondContact O-N 3.42Å; K1434-W1437 HydrophobicContact CB-CD2 4.41Å; K1434-W1437 HydrophobicContact CB-CG 4.09Å; K1434-W1437 HydrophobicContact CG-CZ2 4.3Å; K1434-W1437 WeakPolarHBondContact O-CB 3.25Å; K1434-W1437 PolarHBondContact O-N 3.34Å; K1434-W1437 VanDerWaalsContact O-N 3.12Å | ||
| 1435 | D | 78.7 | Confident | 85.7 | Confident | 171 Ų | 171 | 87.5 Ų | 87.5 | 91% | 0.914 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -26.8 | 179.6 | -63.2 | -36.4 | 0 | 0 | 0 | 112.5 | ||
| 1436 | D | 82.4 | Confident | 85.4 | Confident | 153 Ų | 153 | 93.1 Ų | 93.1 | 82% | 0.818 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 2.1 | -179.7 | -55.5 | -33.1 | 0 | 0 | 0 | 114.1 | K1434 | K1434-D1436 PolarHBondContact O-N 3.42Š|
| 1437 | W | 80.7 | Confident | 85.2 | Confident | 68 Ų | 68 | 94.5 Ų | 94.5 | 26% | 0.258 | 47% | 0.472 | S | S | . | . | trans | -70.9 | 137.1 | -176.5 | -80.7 | 2.7 | 0 | 0 | 0 | 113.2 | P1433 K1434 E1441 M1445 | P1433-W1437 HydrophobicContact CB-CE3 3.77Å; P1433-W1437 HydrophobicContact CB-CZ3 3.97Å; K1434-W1437 HydrophobicContact CB-CD2 4.41Å; K1434-W1437 HydrophobicContact CB-CG 4.09Å; K1434-W1437 HydrophobicContact CG-CZ2 4.3Å; K1434-W1437 WeakPolarHBondContact O-CB 3.25Å; K1434-W1437 PolarHBondContact O-N 3.34Å; K1434-W1437 VanDerWaalsContact O-N 3.12Å; W1437-E1441 WeakPolarHBondContact CA-OE2 3.1Å; W1437-E1441 HydrophobicContact CB-CB 4.43Å; W1437-E1441 HydrophobicContact CG-CB 4.43Å; W1437-M1445 HydrophobicContact CH2-CE 3.46Å; W1437-M1445 VanDerWaalsContact CH2-CE 3.46Å; W1437-M1445 HydrophobicContact CH2-CG 4.36Å; W1437-M1445 HydrophobicContact CZ3-CB 3.87Å; W1437-M1445 HydrophobicContact CZ3-CE 4.01Å; W1437-M1445 HydrophobicContact CZ3-CG 3.94Å | ||
| 1438 | V | 87 | Confident | 85.1 | Confident | 88 Ų | 88 | 91.9 Ų | 91.9 | 53% | 0.533 | 45% | 0.448 | S | S | . | . | trans | -76.2 | 151.7 | 173.6 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | Q1440 E1441 M1442 | V1438-Q1440 PolarHBondContact O-N 3.23Å; V1438-Q1440 VanDerWaalsContact O-N 3.1Å; V1438-E1441 HydrophobicContact CB-CG 4.44Å; V1438-E1441 PolarHBondContact N-OE2 3.49Å; V1438-E1441 WeakPolarHBondContact O-CB 3.49Å; V1438-E1441 PolarHBondContact O-N 2.9Å; V1438-M1442 PolarHBondContact O-N 2.97Å; V1438-M1442 VanDerWaalsContact O-N 3.13Å | ||
| 1439 | K | 84.5 | Confident | 85 | Confident | 154 Ų | 154 | 92.2 Ų | 92.2 | 67% | 0.67 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -48.7 | -40.3 | 178.3 | -175.8 | 178.3 | 172.4 | -174.7 | 0 | 113.3 | E1441 M1442 E1443 | K1439-E1441 VanDerWaalsContact C-N 3.33Å; K1439-E1441 PolarHBondContact O-N 3.31Å; K1439-M1442 WeakPolarHBondContact O-CB 3.46Å; K1439-M1442 PolarHBondContact O-N 3.29Å; K1439-E1443 WeakPolarHBondContact CE-OE1 3.35Å; K1439-E1443 IonicContact NZ-OE1 3.24Å; K1439-E1443 WeakPolarHBondContact O-CG 3.31Å; K1439-E1443 PolarHBondContact O-N 2.74Å |
| 1440 | Q | 83.5 | Confident | 85 | Confident | 143 Ų | 143 | 97.6 Ų | 97.6 | 67% | 0.668 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63.9 | -36 | 178 | -68.8 | 178.1 | -10 | 0 | 0 | 112.9 | V1438 K1444 | V1438-Q1440 PolarHBondContact O-N 3.23Å; V1438-Q1440 VanDerWaalsContact O-N 3.1Å; Q1440-K1444 WeakPolarHBondContact O-CG 3Å; Q1440-K1444 PolarHBondContact O-N 3.29Å; Q1440-K1444 VanDerWaalsContact O-N 3.08Å |
| 1441 | E | 81.8 | Confident | 85 | Confident | 92 Ų | 92 | 94.2 Ų | 94.2 | 43% | 0.43 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.4 | -38.1 | 177.2 | -60.1 | 177.7 | 136.9 | 0 | 0 | 110.9 | W1437 V1438 K1439 K1444 M1445 | W1437-E1441 WeakPolarHBondContact CA-OE2 3.1Å; W1437-E1441 HydrophobicContact CB-CB 4.43Å; W1437-E1441 HydrophobicContact CG-CB 4.43Å; V1438-E1441 HydrophobicContact CB-CG 4.44Å; V1438-E1441 PolarHBondContact N-OE2 3.49Å; V1438-E1441 WeakPolarHBondContact O-CB 3.49Å; V1438-E1441 PolarHBondContact O-N 2.9Å; K1439-E1441 VanDerWaalsContact C-N 3.33Å; K1439-E1441 PolarHBondContact O-N 3.31Å; E1441-K1444 PolarHBondContact O-N 2.97Å; E1441-M1445 WeakPolarHBondContact O-CB 3.42Å; E1441-M1445 PolarHBondContact O-N 3.4Å |
| 1442 | M | 82.6 | Confident | 85.3 | Confident | 62 Ų | 62 | 92.6 Ų | 92.6 | 31% | 0.305 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 173.5 | -173.5 | 71.7 | 68 | 0 | 0 | 111.8 | P1433 V1438 K1439 M1445 Q1446 | P1433-M1442 HydrophobicContact CB-CE 3.25Å; P1433-M1442 HydrophobicContact CB-SD 3.66Å; P1433-M1442 HydrophobicContact CG-CE 3.93Å; P1433-M1442 HydrophobicContact CG-SD 4.12Å; V1438-M1442 PolarHBondContact O-N 2.97Å; V1438-M1442 VanDerWaalsContact O-N 3.13Å; K1439-M1442 WeakPolarHBondContact O-CB 3.46Å; K1439-M1442 PolarHBondContact O-N 3.29Å; M1442-M1445 PolarHBondContact O-N 2.95Å; M1442-Q1446 WeakPolarHBondContact O-CG 3.42Å; M1442-Q1446 PolarHBondContact O-N 3Å |
| 1443 | E | 86.4 | Confident | 85.8 | Confident | 97 Ų | 97 | 84.2 Ų | 84.2 | 45% | 0.453 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.5 | -46 | 178 | -74.2 | 172.2 | 173.6 | 0 | 0 | 111.5 | K1439 M1445 Q1446 E1447 | K1439-E1443 WeakPolarHBondContact CE-OE1 3.35Å; K1439-E1443 IonicContact NZ-OE1 3.24Å; K1439-E1443 WeakPolarHBondContact O-CG 3.31Å; K1439-E1443 PolarHBondContact O-N 2.74Å; E1443-M1445 VanDerWaalsContact C-N 3.28Å; E1443-M1445 PolarHBondContact O-N 3.27Å; E1443-Q1446 PolarHBondContact O-N 3.43Å; E1443-Q1446 VanDerWaalsContact O-N 3.14Å; E1443-E1447 PolarHBondContact O-N 3.11Å |
| 1444 | K | 84.9 | Confident | 86.5 | Confident | 99 Ų | 99 | 81.5 Ų | 81.5 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.4 | -39.8 | 173.9 | -77.3 | -176.5 | -179.1 | -172.6 | 0 | 112.3 | T1393 Q1440 E1441 E1447 L1448 | T1393-K1444 HydrophobicContact CG2-CB 4.32Å; Q1440-K1444 WeakPolarHBondContact O-CG 3Å; Q1440-K1444 PolarHBondContact O-N 3.29Å; Q1440-K1444 VanDerWaalsContact O-N 3.08Å; E1441-K1444 PolarHBondContact O-N 2.97Å; K1444-E1447 PolarHBondContact O-N 3.22Å; K1444-L1448 WeakPolarHBondContact O-CG 3.42Å; K1444-L1448 PolarHBondContact O-N 3.47Å |
| 1445 | M | 85.1 | Confident | 87.2 | Confident | 33 Ų | 33 | 74.8 Ų | 74.8 | 16% | 0.163 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 176 | -177.2 | 57.7 | 93.4 | 0 | 0 | 112.1 | S1431 W1437 E1441 M1442 E1443 E1447 L1448 N1449 | S1431-M1445 VanDerWaalsContact CB-CE 3.47Å; S1431-M1445 WeakPolarHBondContact OG-CE 3.19Å; S1431-M1445 PolarHBondContact OG-SD 3.46Å; W1437-M1445 HydrophobicContact CH2-CE 3.46Å; W1437-M1445 VanDerWaalsContact CH2-CE 3.46Å; W1437-M1445 HydrophobicContact CH2-CG 4.36Å; W1437-M1445 HydrophobicContact CZ3-CB 3.87Å; W1437-M1445 HydrophobicContact CZ3-CE 4.01Å; W1437-M1445 HydrophobicContact CZ3-CG 3.94Å; E1441-M1445 WeakPolarHBondContact O-CB 3.42Å; E1441-M1445 PolarHBondContact O-N 3.4Å; M1442-M1445 PolarHBondContact O-N 2.95Å; E1443-M1445 VanDerWaalsContact C-N 3.28Å; E1443-M1445 PolarHBondContact O-N 3.27Å; M1445-E1447 VanDerWaalsContact C-N 3.31Å; M1445-E1447 PolarHBondContact O-N 3.23Å; M1445-L1448 PolarHBondContact O-N 3.12Å; M1445-L1448 HydrophobicContact SD-CD1 4.45Å; M1445-N1449 WeakPolarHBondContact O-CB 3.41Å; M1445-N1449 PolarHBondContact O-N 3.48Å; M1445-N1449 PolarHBondContact O-ND2 2.88Å |
| 1446 | Q | 87.2 | Confident | 87.9 | Confident | 118 Ų | 118 | 66.6 Ų | 66.6 | 55% | 0.551 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.8 | -39.1 | 175.9 | -72.9 | 177.6 | 2.5 | 0 | 0 | 111.9 | M1442 E1443 N1449 R1450 | M1442-Q1446 WeakPolarHBondContact O-CG 3.42Å; M1442-Q1446 PolarHBondContact O-N 3Å; E1443-Q1446 PolarHBondContact O-N 3.43Å; E1443-Q1446 VanDerWaalsContact O-N 3.14Å; Q1446-N1449 PolarHBondContact O-N 3.48Å; Q1446-R1450 WeakPolarHBondContact O-CB 3.5Å; Q1446-R1450 PolarHBondContact O-N 3.02Å |
| 1447 | E | 89.7 | Confident | 88.3 | Confident | 105 Ų | 105 | 59.3 Ų | 59.3 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 175.3 | -170.9 | 176 | -170.9 | 0 | 0 | 112.3 | L1397 E1443 K1444 M1445 R1450 S1451 | L1397-E1447 HydrophobicContact CD1-CG 4.38Å; L1397-E1447 HydrophobicContact CD2-CG 3.92Å; E1443-E1447 PolarHBondContact O-N 3.11Å; K1444-E1447 PolarHBondContact O-N 3.22Å; M1445-E1447 VanDerWaalsContact C-N 3.31Å; M1445-E1447 PolarHBondContact O-N 3.23Å; E1447-R1450 PolarHBondContact O-N 3.4Å; E1447-S1451 WeakPolarHBondContact O-CB 3.38Å; E1447-S1451 PolarHBondContact O-N 3.16Å; E1447-S1451 PolarHBondContact O-OG 2.84Å |
| 1448 | L | 90.2 | Very high | 88.6 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 172.9 | -78.9 | 171.6 | 0 | 0 | 0 | 111.7 | T1393 K1396 L1397 Y1400 V1428 K1444 M1445 R1450 S1451 A1452 | T1393-L1448 HydrophobicContact CG2-CD1 3.7Å; T1393-L1448 HydrophobicContact CG2-CD2 4.11Å; T1393-L1448 HydrophobicContact CG2-CG 3.86Å; K1396-L1448 HydrophobicContact CB-CD2 3.63Å; K1396-L1448 HydrophobicContact CD-CD2 4.09Å; L1397-L1448 HydrophobicContact CD2-CD2 3.93Å; L1397-L1448 HydrophobicContact CD2-CG 4.43Å; L1397-L1448 HydrophobicContact CG-CD2 4.07Å; Y1400-L1448 HydrophobicContact CE2-CD2 4.1Å; V1428-L1448 HydrophobicContact CG1-CB 4.28Å; K1444-L1448 WeakPolarHBondContact O-CG 3.42Å; K1444-L1448 PolarHBondContact O-N 3.47Å; M1445-L1448 PolarHBondContact O-N 3.12Å; M1445-L1448 HydrophobicContact SD-CD1 4.45Å; L1448-R1450 VanDerWaalsContact C-N 3.32Å; L1448-R1450 PolarHBondContact O-N 3.27Å; L1448-S1451 PolarHBondContact O-N 3.42Å; L1448-A1452 WeakPolarHBondContact O-CB 3.39Å; L1448-A1452 PolarHBondContact O-N 2.9Å |
| 1449 | N | 90.1 | Very high | 88.7 | Confident | 21 Ų | 21 | 52.3 Ų | 52.3 | 11% | 0.112 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.9 | -43.3 | 176.5 | -82.2 | -29.7 | 0 | 0 | 0 | 111.5 | V1428 M1445 Q1446 A1452 L1453 | V1428-N1449 WeakPolarHBondContact CG1-OD1 3.49Å; V1428-N1449 PolarHBondContact O-OD1 3.46Å; M1445-N1449 WeakPolarHBondContact O-CB 3.41Å; M1445-N1449 PolarHBondContact O-N 3.48Å; M1445-N1449 PolarHBondContact O-ND2 2.88Å; Q1446-N1449 PolarHBondContact O-N 3.48Å; N1449-A1452 PolarHBondContact O-N 3.35Å; N1449-L1453 WeakPolarHBondContact O-CB 3.18Å; N1449-L1453 WeakPolarHBondContact O-CG 3.4Å; N1449-L1453 PolarHBondContact O-N 2.97Å |
| 1450 | R | 91.8 | Very high | 88.7 | Confident | 120 Ų | 120 | 52 Ų | 52 | 45% | 0.453 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.9 | -39.8 | 177.8 | -163 | 177 | -176.5 | 112 | 1.9 | 112 | Q1446 E1447 L1448 G1454 I1487 I1491 | Q1446-R1450 WeakPolarHBondContact O-CB 3.5Å; Q1446-R1450 PolarHBondContact O-N 3.02Å; E1447-R1450 PolarHBondContact O-N 3.4Å; L1448-R1450 VanDerWaalsContact C-N 3.32Å; L1448-R1450 PolarHBondContact O-N 3.27Å; R1450-G1454 PolarHBondContact O-N 3.43Å; R1450-I1487 HydrophobicContact CG-CG2 4.27Å; R1450-I1491 HydrophobicContact CG-CD1 4.13Å |
| 1451 | S | 91.8 | Very high | 88.6 | Confident | 25 Ų | 25 | 49.3 Ų | 49.3 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.6 | -43.1 | 177.9 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | L1397 Q1404 E1447 L1448 G1454 L1455 | L1397-S1451 WeakPolarHBondContact CD2-OG 3.12Å; Q1404-S1451 PolarHBondContact NE2-O 2.9Å; E1447-S1451 WeakPolarHBondContact O-CB 3.38Å; E1447-S1451 PolarHBondContact O-N 3.16Å; E1447-S1451 PolarHBondContact O-OG 2.84Å; L1448-S1451 PolarHBondContact O-N 3.42Å; S1451-G1454 PolarHBondContact O-N 3.24Å; S1451-L1455 PolarHBondContact O-N 3.49Å |
| 1452 | A | 94.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1400 L1425 V1428 L1448 N1449 L1455 I1456 | Y1400-A1452 HydrophobicContact CE1-CB 4Å; Y1400-A1452 HydrophobicContact CE2-CB 4.3Å; L1425-A1452 HydrophobicContact CD2-CB 3.98Å; V1428-A1452 HydrophobicContact CG1-CB 4.04Å; L1448-A1452 WeakPolarHBondContact O-CB 3.39Å; L1448-A1452 PolarHBondContact O-N 2.9Å; N1449-A1452 PolarHBondContact O-N 3.35Å; A1452-L1455 PolarHBondContact O-N 3.32Å; A1452-I1456 VanDerWaalsContact O-CG1 3.29Å; A1452-I1456 WeakPolarHBondContact O-CG1 3.4Å; A1452-I1456 PolarHBondContact O-N 2.88Å |
| 1453 | L | 93.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.3 | -40.4 | 174.6 | -71.8 | 172.5 | 0 | 0 | 0 | 111.8 | L1429 N1449 L1455 I1456 V1457 I1478 L1484 I1487 Y1488 I1491 | L1429-L1453 HydrophobicContact CD2-CD2 3.81Å; L1429-L1453 HydrophobicContact CD2-CG 4.11Å; N1449-L1453 WeakPolarHBondContact O-CB 3.18Å; N1449-L1453 WeakPolarHBondContact O-CG 3.4Å; N1449-L1453 PolarHBondContact O-N 2.97Å; L1453-L1455 VanDerWaalsContact C-N 3.32Å; L1453-L1455 PolarHBondContact O-N 3.47Å; L1453-I1456 PolarHBondContact O-N 3.09Å; L1453-V1457 WeakPolarHBondContact O-CG2 3.47Å; L1453-V1457 PolarHBondContact O-N 3.08Å; L1453-I1478 HydrophobicContact CD2-CD1 3.52Å; L1453-I1478 HydrophobicContact CD2-CG1 3.71Å; L1453-I1478 HydrophobicContact CD2-CG2 4.26Å; L1453-L1484 HydrophobicContact CD1-CD2 4.3Å; L1453-I1487 HydrophobicContact CD1-CB 3.68Å; L1453-I1487 HydrophobicContact CD1-CG2 3.48Å; L1453-I1487 VanDerWaalsContact CD1-CG2 3.48Å; L1453-Y1488 HydrophobicContact CD2-CD2 4.24Å; L1453-I1491 HydrophobicContact CB-CD1 3.79Å |
| 1454 | G | 91.8 | Very high | 87.5 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 11% | 0.113 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.4 | -42.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1450 S1451 V1457 S1458 | R1450-G1454 PolarHBondContact O-N 3.43Å; S1451-G1454 PolarHBondContact O-N 3.24Å; G1454-V1457 PolarHBondContact O-N 3.29Å; G1454-S1458 PolarHBondContact O-N 2.74Å |
| 1455 | L | 93.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.6 | -49.6 | 173.6 | 178.9 | 59.5 | 0 | 0 | 0 | 110.4 | Y1400 L1403 Q1404 L1421 L1425 S1451 A1452 L1453 V1457 S1458 L1459 | Y1400-L1455 HydrophobicContact CD1-CB 4.22Å; Y1400-L1455 HydrophobicContact CD1-CD2 3.78Å; Y1400-L1455 HydrophobicContact CE1-CD2 4.21Å; L1403-L1455 HydrophobicContact CB-CD1 3.87Å; L1403-L1455 HydrophobicContact CB-CD2 3.88Å; L1403-L1455 HydrophobicContact CD1-CD2 4.02Å; Q1404-L1455 HydrophobicContact CB-CD1 4.45Å; Q1404-L1455 HydrophobicContact CG-CB 4Å; Q1404-L1455 HydrophobicContact CG-CD1 3.83Å; L1421-L1455 HydrophobicContact CD1-CD2 4.4Å; L1425-L1455 HydrophobicContact CD2-CD2 4.3Å; S1451-L1455 PolarHBondContact O-N 3.49Å; A1452-L1455 PolarHBondContact O-N 3.32Å; L1453-L1455 VanDerWaalsContact C-N 3.32Å; L1453-L1455 PolarHBondContact O-N 3.47Å; L1455-V1457 VanDerWaalsContact C-N 3.28Å; L1455-V1457 PolarHBondContact O-N 3.42Å; L1455-S1458 WeakPolarHBondContact O-CB 3.42Å; L1455-S1458 PolarHBondContact O-N 3.1Å; L1455-S1458 PolarHBondContact O-OG 3.09Å; L1455-L1459 HydrophobicContact CD1-CD2 4.22Å; L1455-L1459 WeakPolarHBondContact O-CG 3.49Å; L1455-L1459 PolarHBondContact O-N 3.05Å |
| 1456 | I | 93.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -35.6 | -179.6 | -65.9 | 167 | 0 | 0 | 0 | 112.6 | L1425 L1429 A1452 L1453 Y1471 L1474 L1475 I1478 Y1488 | L1425-I1456 HydrophobicContact CD1-CG1 4.13Å; L1425-I1456 HydrophobicContact CD2-CD1 4.27Å; L1425-I1456 HydrophobicContact CD2-CG1 4.24Å; L1429-I1456 HydrophobicContact CD1-CD1 3.76Å; L1429-I1456 HydrophobicContact CG-CD1 4.49Å; A1452-I1456 VanDerWaalsContact O-CG1 3.29Å; A1452-I1456 WeakPolarHBondContact O-CG1 3.4Å; A1452-I1456 PolarHBondContact O-N 2.88Å; L1453-I1456 PolarHBondContact O-N 3.09Å; I1456-Y1471 HydrophobicContact CG2-CE2 3.84Å; I1456-Y1471 WeakPolarHBondContact O-CE2 3.43Å; I1456-Y1471 PolarHBondContact O-OH 3.09Å; I1456-Y1471 VanDerWaalsContact O-OH 3.1Å; I1456-L1474 HydrophobicContact CD1-CB 4.43Å; I1456-L1474 HydrophobicContact CD1-CD1 4.3Å; I1456-L1474 HydrophobicContact CG1-CD1 4.36Å; I1456-L1475 HydrophobicContact CG2-CD2 4.34Å; I1456-I1478 HydrophobicContact CD1-CD1 3.94Å; I1456-I1478 HydrophobicContact CG2-CD1 3.85Å; I1456-Y1488 HydrophobicContact CG2-CE2 4.29Å |
| 1457 | V | 91.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 172.5 | 172.8 | 0 | 0 | 0 | 0 | 110.3 | L1453 G1454 L1455 L1459 R1460 Y1488 I1491 L1492 E1495 | L1453-V1457 WeakPolarHBondContact O-CG2 3.47Å; L1453-V1457 PolarHBondContact O-N 3.08Å; G1454-V1457 PolarHBondContact O-N 3.29Å; L1455-V1457 VanDerWaalsContact C-N 3.28Å; L1455-V1457 PolarHBondContact O-N 3.42Å; V1457-L1459 PolarHBondContact O-N 2.68Å; V1457-R1460 WeakPolarHBondContact O-CB 3.32Å; V1457-R1460 PolarHBondContact O-N 2.99Å; V1457-Y1488 HydrophobicContact CG2-CD2 3.59Å; V1457-Y1488 HydrophobicContact CG2-CE2 3.39Å; V1457-I1491 HydrophobicContact CB-CG2 4.18Å; V1457-I1491 HydrophobicContact CG1-CG2 4.23Å; V1457-I1491 HydrophobicContact CG2-CB 4.35Å; V1457-I1491 HydrophobicContact CG2-CG2 3.94Å; V1457-L1492 HydrophobicContact CG1-CD2 4.09Å; V1457-L1492 HydrophobicContact CG1-CG 4.39Å; V1457-L1492 HydrophobicContact CG2-CG 4.25Å; V1457-E1495 WeakPolarHBondContact CG1-OE2 3.31Å |
| 1458 | S | 85.9 | Confident | 85.5 | Confident | 9 Ų | 9 | 35.9 Ų | 35.9 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.7 | -34.6 | 178.6 | 79.7 | 0 | 0 | 0 | 0 | 112.9 | S1407 G1454 L1455 R1460 N1461 | S1407-S1458 PolarHBondContact OG-OG 2.87Å; G1454-S1458 PolarHBondContact O-N 2.74Å; L1455-S1458 WeakPolarHBondContact O-CB 3.42Å; L1455-S1458 PolarHBondContact O-N 3.1Å; L1455-S1458 PolarHBondContact O-OG 3.09Å; S1458-R1460 PolarHBondContact O-N 2.81Å; S1458-N1461 PolarHBondContact O-N 2.88Å |
| 1459 | L | 89.4 | Confident | 85 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.7 | -23.2 | 178 | -62.2 | -173.8 | 0 | 0 | 0 | 112.8 | I1414 M1418 L1421 L1455 V1457 N1461 I1462 I1465 Y1471 | I1414-L1459 HydrophobicContact CG2-CD2 3.38Å; M1418-L1459 HydrophobicContact CE-CD1 3.85Å; M1418-L1459 HydrophobicContact SD-CD1 3.83Å; L1421-L1459 HydrophobicContact CD2-CD1 4.45Å; L1455-L1459 HydrophobicContact CD1-CD2 4.22Å; L1455-L1459 WeakPolarHBondContact O-CG 3.49Å; L1455-L1459 PolarHBondContact O-N 3.05Å; V1457-L1459 PolarHBondContact O-N 2.68Å; L1459-N1461 PolarHBondContact O-N 3.29Å; L1459-N1461 VanDerWaalsContact O-N 3.13Å; L1459-I1462 HydrophobicContact CB-CD1 4.3Å; L1459-I1462 HydrophobicContact CD2-CD1 3.74Å; L1459-I1462 VanDerWaalsContact O-CB 3.27Å; L1459-I1462 WeakPolarHBondContact O-CB 3.22Å; L1459-I1462 VanDerWaalsContact O-CG1 3.28Å; L1459-I1462 WeakPolarHBondContact O-CG1 3.47Å; L1459-I1462 PolarHBondContact O-N 3.13Å; L1459-I1465 WeakPolarHBondContact O-CG2 3.41Å; L1459-Y1471 HydrophobicContact CB-CD2 4.32Å; L1459-Y1471 HydrophobicContact CB-CE2 3.82Å; L1459-Y1471 HydrophobicContact CD1-CD2 4.25Å; L1459-Y1471 HydrophobicContact CD1-CE2 4.35Å |
| 1460 | R | 85.4 | Confident | 84.7 | Confident | 147 Ų | 147 | 40.3 Ų | 40.3 | 56% | 0.555 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.5 | -179.3 | -171.9 | -179 | 174.7 | -161.3 | -1.9 | 113.1 | V1457 S1458 I1462 | V1457-R1460 WeakPolarHBondContact O-CB 3.32Å; V1457-R1460 PolarHBondContact O-N 2.99Å; S1458-R1460 PolarHBondContact O-N 2.81Å; R1460-I1462 PolarHBondContact O-N 3.29Å |
| 1461 | N | 80.5 | Confident | 84.4 | Confident | 87 Ų | 87 | 34.8 Ų | 34.8 | 47% | 0.465 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -2.3 | -179.4 | -63.9 | -40.4 | 0 | 0 | 0 | 113.3 | S1458 L1459 | S1458-N1461 PolarHBondContact O-N 2.88Å; L1459-N1461 PolarHBondContact O-N 3.29Å; L1459-N1461 VanDerWaalsContact O-N 3.13Å |
| 1462 | I | 81.6 | Confident | 84 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -81.8 | 128.6 | 176.9 | -58.6 | 176.4 | 0 | 0 | 0 | 109 | P1411 I1414 L1459 R1460 D1464 I1465 | P1411-I1462 HydrophobicContact CB-CB 4.21Å; P1411-I1462 HydrophobicContact CB-CD1 4.29Å; P1411-I1462 HydrophobicContact CB-CG1 3.65Å; P1411-I1462 HydrophobicContact CB-CG2 4.06Å; I1414-I1462 HydrophobicContact CB-CD1 4.13Å; I1414-I1462 HydrophobicContact CG2-CD1 3.91Å; L1459-I1462 HydrophobicContact CB-CD1 4.3Å; L1459-I1462 HydrophobicContact CD2-CD1 3.74Å; L1459-I1462 VanDerWaalsContact O-CB 3.27Å; L1459-I1462 WeakPolarHBondContact O-CB 3.22Å; L1459-I1462 VanDerWaalsContact O-CG1 3.28Å; L1459-I1462 WeakPolarHBondContact O-CG1 3.47Å; L1459-I1462 PolarHBondContact O-N 3.13Å; R1460-I1462 PolarHBondContact O-N 3.29Å; I1462-D1464 PolarHBondContact O-N 3.01Å; I1462-I1465 HydrophobicContact CB-CB 3.93Å; I1462-I1465 HydrophobicContact CB-CD1 4.43Å; I1462-I1465 HydrophobicContact CB-CG1 4.29Å; I1462-I1465 HydrophobicContact CB-CG2 4.39Å; I1462-I1465 HydrophobicContact CD1-CD1 4.47Å; I1462-I1465 HydrophobicContact CG2-CB 4.21Å; I1462-I1465 HydrophobicContact CG2-CD1 4.3Å; I1462-I1465 VanDerWaalsContact O-CB 3.28Å; I1462-I1465 WeakPolarHBondContact O-CB 3.49Å; I1462-I1465 WeakPolarHBondContact O-CG2 3.39Å; I1462-I1465 PolarHBondContact O-N 2.7Å |
| 1463 | D | 73.8 | Confident | 83.6 | Confident | 109 Ų | 109 | 38.1 Ų | 38.1 | 58% | 0.583 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 133.8 | 178.8 | -64.2 | -27.5 | 0 | 0 | 0 | 112.2 | I1465 | D1463-I1465 PolarHBondContact O-N 2.9Š|
| 1464 | D | 72 | Confident | 83.5 | Confident | 29 Ų | 29 | 38.2 Ų | 38.2 | 16% | 0.155 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 13.8 | -178.4 | -63.5 | -47.8 | 0 | 0 | 0 | 115.1 | W206 R282 R329 I1462 D1466 K1467 | W206-D1464 HydrophobicContact CH2-CB 3.66Å; W206-D1464 HydrophobicContact CZ2-CB 3.86Å; R282-D1464 IonicContact NH1-OD2 2.88Å; R282-D1464 PolarHBondContact NH1-OD2 3.16Å; R329-D1464 IonicContact NH2-OD2 3.81Å; I1462-D1464 PolarHBondContact O-N 3.01Å; D1464-D1466 VanDerWaalsContact C-N 3.26Å; D1464-D1466 VanDerWaalsContact C-OD1 3.29Å; D1464-D1466 WeakPolarHBondContact CA-OD1 3.18Å; D1464-D1466 PolarHBondContact O-N 3.13Å; D1464-K1467 HydrophobicContact CB-CD 4.3Å; D1464-K1467 WeakPolarHBondContact O-CB 3.42Å; D1464-K1467 PolarHBondContact O-N 3.35Å; D1464-K1467 VanDerWaalsContact O-N 3.16Å; D1464-K1467 IonicContact OD1-NZ 3.86Å; D1464-K1467 PolarHBondContact OD1-NZ 3.45Å |
| 1465 | I | 80.6 | Confident | 83.3 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -66 | -29.2 | -179.7 | -161.8 | 63.6 | 0 | 0 | 0 | 113.2 | L1459 I1462 D1463 K1467 N1468 Y1471 | L1459-I1465 WeakPolarHBondContact O-CG2 3.41Å; I1462-I1465 HydrophobicContact CB-CB 3.93Å; I1462-I1465 HydrophobicContact CB-CD1 4.43Å; I1462-I1465 HydrophobicContact CB-CG1 4.29Å; I1462-I1465 HydrophobicContact CB-CG2 4.39Å; I1462-I1465 HydrophobicContact CD1-CD1 4.47Å; I1462-I1465 HydrophobicContact CG2-CB 4.21Å; I1462-I1465 HydrophobicContact CG2-CD1 4.3Å; I1462-I1465 VanDerWaalsContact O-CB 3.28Å; I1462-I1465 WeakPolarHBondContact O-CB 3.49Å; I1462-I1465 WeakPolarHBondContact O-CG2 3.39Å; I1462-I1465 PolarHBondContact O-N 2.7Å; D1463-I1465 PolarHBondContact O-N 2.9Å; I1465-K1467 PolarHBondContact O-N 3.18Å; I1465-N1468 HydrophobicContact CD1-CB 4.31Å; I1465-N1468 VanDerWaalsContact O-CB 3.26Å; I1465-N1468 WeakPolarHBondContact O-CB 3.31Å; I1465-N1468 PolarHBondContact O-N 3.27Å; I1465-Y1471 HydrophobicContact CG1-CD1 4.06Å; I1465-Y1471 HydrophobicContact CG1-CD2 4.1Å; I1465-Y1471 HydrophobicContact CG1-CE1 4.44Å; I1465-Y1471 HydrophobicContact CG1-CE2 4.49Å; I1465-Y1471 HydrophobicContact CG1-CG 3.87Å; I1465-Y1471 HydrophobicContact CG2-CD1 4.4Å; I1465-Y1471 HydrophobicContact CG2-CE1 4.19Å; I1465-Y1471 VanDerWaalsContact O-CD1 3.31Å; I1465-Y1471 WeakPolarHBondContact O-CD1 3.27Å |
| 1466 | D | 77.7 | Confident | 83 | Confident | 102 Ų | 102 | 45.5 Ų | 45.5 | 55% | 0.545 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -62.3 | -22.7 | 175.5 | 61.3 | -43.2 | 0 | 0 | 0 | 112.4 | D1464 V1472 | D1464-D1466 VanDerWaalsContact C-N 3.26Å; D1464-D1466 VanDerWaalsContact C-OD1 3.29Å; D1464-D1466 WeakPolarHBondContact CA-OD1 3.18Å; D1464-D1466 PolarHBondContact O-N 3.13Å; D1466-V1472 WeakPolarHBondContact O-CG2 3.23Å |
| 1467 | K | 72.1 | Confident | 82.8 | Confident | 66 Ų | 66 | 46.5 Ų | 46.5 | 29% | 0.287 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -88.5 | -13.3 | 175.1 | -59.4 | 171.3 | -172.9 | 159.9 | 0 | 112.8 | W206 D1464 I1465 R1469 | W206-K1467 HydrophobicContact CD2-CB 3.63Å; W206-K1467 HydrophobicContact CE3-CB 3.65Å; W206-K1467 HydrophobicContact CG-CB 4.04Å; W206-K1467 HydrophobicContact CH2-CB 4.3Å; W206-K1467 HydrophobicContact CZ2-CB 4.33Å; W206-K1467 HydrophobicContact CZ2-CD 4.42Å; W206-K1467 HydrophobicContact CZ3-CB 3.97Å; D1464-K1467 HydrophobicContact CB-CD 4.3Å; D1464-K1467 WeakPolarHBondContact O-CB 3.42Å; D1464-K1467 PolarHBondContact O-N 3.35Å; D1464-K1467 VanDerWaalsContact O-N 3.16Å; D1464-K1467 IonicContact OD1-NZ 3.86Å; D1464-K1467 PolarHBondContact OD1-NZ 3.45Å; I1465-K1467 PolarHBondContact O-N 3.18Å; K1467-R1469 PolarHBondContact O-N 3.5Å |
| 1468 | N | 75.4 | Confident | 82.8 | Confident | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | trans | -72.1 | 115.3 | -178.8 | -171.5 | -52.5 | 0 | 0 | 0 | 111 | W206 I1465 H1470 Y1471 V1472 | W206-N1468 HydrophobicContact CZ3-CB 4.27Å; I1465-N1468 HydrophobicContact CD1-CB 4.31Å; I1465-N1468 VanDerWaalsContact O-CB 3.26Å; I1465-N1468 WeakPolarHBondContact O-CB 3.31Å; I1465-N1468 PolarHBondContact O-N 3.27Å; N1468-H1470 PolarHBondContact O-N 3.02Å; N1468-H1470 VanDerWaalsContact O-N 3.08Å; N1468-H1470 WeakPolarHBondContact OD1-CB 3.2Å; N1468-H1470 PolarHBondContact OD1-N 2.91Å; N1468-Y1471 WeakPolarHBondContact O-CB 3.4Å; N1468-Y1471 PolarHBondContact O-N 3.05Å; N1468-V1472 WeakPolarHBondContact O-CG2 3.19Å; N1468-V1472 PolarHBondContact O-N 3.47Å | ||
| 1469 | R | 78.5 | Confident | 82.8 | Confident | 82 Ų | 82 | 50.2 Ų | 50.2 | 31% | 0.309 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -51.7 | -35.6 | -178.3 | 72.2 | -177.9 | -175.3 | 172.1 | 0.8 | 114.2 | E1419 K1467 E1473 | E1419-R1469 IonicContact OE1-NH2 2.68Å; K1467-R1469 PolarHBondContact O-N 3.5Å; R1469-E1473 WeakPolarHBondContact O-CB 3.32Å; R1469-E1473 PolarHBondContact O-N 2.83Å |
| 1470 | H | 83.5 | Confident | 82.7 | Confident | 43 Ų | 43 | 54.5 Ų | 54.5 | 20% | 0.199 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -76.1 | -35.3 | -178.1 | -63.1 | -78.3 | 0 | 0 | 0 | 111.5 | M1418 A1422 N1468 L1474 | M1418-H1470 HydrophobicContact CG-CB 4.1Å; A1422-H1470 HydrophobicContact CB-CB 3.84Å; N1468-H1470 PolarHBondContact O-N 3.02Å; N1468-H1470 VanDerWaalsContact O-N 3.08Å; N1468-H1470 WeakPolarHBondContact OD1-CB 3.2Å; N1468-H1470 PolarHBondContact OD1-N 2.91Å; H1470-L1474 WeakPolarHBondContact O-CG 3.4Å; H1470-L1474 PolarHBondContact O-N 3.47Å |
| 1471 | Y | 87.1 | Confident | 82.8 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.7 | -45.4 | 173.1 | -177.4 | -107.2 | 0 | 0 | 0 | 111.7 | M1418 I1456 L1459 I1465 N1468 E1473 L1474 L1475 | M1418-Y1471 HydrophobicContact CE-CD2 3.97Å; I1456-Y1471 HydrophobicContact CG2-CE2 3.84Å; I1456-Y1471 WeakPolarHBondContact O-CE2 3.43Å; I1456-Y1471 PolarHBondContact O-OH 3.09Å; I1456-Y1471 VanDerWaalsContact O-OH 3.1Å; L1459-Y1471 HydrophobicContact CB-CD2 4.32Å; L1459-Y1471 HydrophobicContact CB-CE2 3.82Å; L1459-Y1471 HydrophobicContact CD1-CD2 4.25Å; L1459-Y1471 HydrophobicContact CD1-CE2 4.35Å; I1465-Y1471 HydrophobicContact CG1-CD1 4.06Å; I1465-Y1471 HydrophobicContact CG1-CD2 4.1Å; I1465-Y1471 HydrophobicContact CG1-CE1 4.44Å; I1465-Y1471 HydrophobicContact CG1-CE2 4.49Å; I1465-Y1471 HydrophobicContact CG1-CG 3.87Å; I1465-Y1471 HydrophobicContact CG2-CD1 4.4Å; I1465-Y1471 HydrophobicContact CG2-CE1 4.19Å; I1465-Y1471 VanDerWaalsContact O-CD1 3.31Å; I1465-Y1471 WeakPolarHBondContact O-CD1 3.27Å; N1468-Y1471 WeakPolarHBondContact O-CB 3.4Å; N1468-Y1471 PolarHBondContact O-N 3.05Å; Y1471-E1473 VanDerWaalsContact C-N 3.27Å; Y1471-E1473 PolarHBondContact O-N 3.47Å; Y1471-L1474 WeakPolarHBondContact O-CB 3.48Å; Y1471-L1474 PolarHBondContact O-N 3.16Å; Y1471-L1474 VanDerWaalsContact O-N 3.08Å; Y1471-L1475 HydrophobicContact CD1-CD1 4.01Å; Y1471-L1475 HydrophobicContact CD1-CG 4.38Å; Y1471-L1475 HydrophobicContact CE1-CD1 3.53Å; Y1471-L1475 HydrophobicContact CE1-CD2 4.45Å; Y1471-L1475 HydrophobicContact CE1-CG 4.01Å; Y1471-L1475 PolarHBondContact O-N 3.03Å |
| 1472 | V | 83.5 | Confident | 83.1 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 176.5 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | D1466 N1468 L1475 R1476 | D1466-V1472 WeakPolarHBondContact O-CG2 3.23Å; N1468-V1472 WeakPolarHBondContact O-CG2 3.19Å; N1468-V1472 PolarHBondContact O-N 3.47Å; V1472-L1475 PolarHBondContact O-N 3.07Å; V1472-R1476 PolarHBondContact O-N 2.91Å |
| 1473 | E | 85.2 | Confident | 83.4 | Confident | 57 Ų | 57 | 56.4 Ų | 56.4 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 173.4 | 176.3 | 65.8 | -177.6 | 0 | 0 | 112 | K1426 R1469 Y1471 R1476 I1477 | K1426-E1473 IonicContact NZ-OE1 2.74Å; K1426-E1473 PolarHBondContact NZ-OE1 2.72Å; R1469-E1473 WeakPolarHBondContact O-CB 3.32Å; R1469-E1473 PolarHBondContact O-N 2.83Å; Y1471-E1473 VanDerWaalsContact C-N 3.27Å; Y1471-E1473 PolarHBondContact O-N 3.47Å; E1473-R1476 WeakPolarHBondContact O-CB 3.42Å; E1473-R1476 PolarHBondContact O-N 3.32Å; E1473-R1476 IonicContact OE2-CZ 2.99Å; E1473-R1476 IonicContact OE2-NH1 3.61Å; E1473-R1476 PolarHBondContact OE2-NH1 3.37Å; E1473-I1477 HydrophobicContact CG-CD1 4.38Å; E1473-I1477 WeakPolarHBondContact O-CG1 3.37Å; E1473-I1477 PolarHBondContact O-N 2.86Å; E1473-I1477 VanDerWaalsContact O-N 3.08Å |
| 1474 | L | 91.3 | Very high | 84.1 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.4 | -65.9 | 171.4 | 0 | 0 | 0 | 111.4 | M1418 A1422 L1425 K1426 L1429 I1456 H1470 Y1471 R1476 I1477 I1478 | M1418-L1474 HydrophobicContact CE-CD1 3.48Å; M1418-L1474 VanDerWaalsContact CE-CD1 3.48Å; A1422-L1474 HydrophobicContact CB-CD1 4.22Å; L1425-L1474 HydrophobicContact CB-CD1 4.13Å; L1425-L1474 HydrophobicContact CB-CD2 3.94Å; L1425-L1474 HydrophobicContact CD1-CD1 3.79Å; K1426-L1474 HydrophobicContact CB-CD2 4.06Å; L1429-L1474 HydrophobicContact CD1-CD2 4.01Å; I1456-L1474 HydrophobicContact CD1-CB 4.43Å; I1456-L1474 HydrophobicContact CD1-CD1 4.3Å; I1456-L1474 HydrophobicContact CG1-CD1 4.36Å; H1470-L1474 WeakPolarHBondContact O-CG 3.4Å; H1470-L1474 PolarHBondContact O-N 3.47Å; Y1471-L1474 WeakPolarHBondContact O-CB 3.48Å; Y1471-L1474 PolarHBondContact O-N 3.16Å; Y1471-L1474 VanDerWaalsContact O-N 3.08Å; L1474-R1476 VanDerWaalsContact C-N 3.27Å; L1474-R1476 PolarHBondContact O-N 2.95Å; L1474-I1477 PolarHBondContact O-N 2.95Å; L1474-I1478 VanDerWaalsContact O-CG1 3.28Å; L1474-I1478 WeakPolarHBondContact O-CG1 3.39Å; L1474-I1478 PolarHBondContact O-N 3.17Å |
| 1475 | L | 88.4 | Confident | 84.9 | Confident | 37 Ų | 37 | 54.6 Ų | 54.6 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -36 | 175.6 | -68.8 | -178.6 | 0 | 0 | 0 | 112.3 | I1456 Y1471 V1472 I1478 N1479 Y1488 | I1456-L1475 HydrophobicContact CG2-CD2 4.34Å; Y1471-L1475 HydrophobicContact CD1-CD1 4.01Å; Y1471-L1475 HydrophobicContact CD1-CG 4.38Å; Y1471-L1475 HydrophobicContact CE1-CD1 3.53Å; Y1471-L1475 HydrophobicContact CE1-CD2 4.45Å; Y1471-L1475 HydrophobicContact CE1-CG 4.01Å; Y1471-L1475 PolarHBondContact O-N 3.03Å; V1472-L1475 PolarHBondContact O-N 3.07Å; L1475-I1478 HydrophobicContact CD2-CD1 4.49Å; L1475-I1478 PolarHBondContact O-N 3.18Å; L1475-N1479 WeakPolarHBondContact O-CB 3.21Å; L1475-N1479 PolarHBondContact O-N 3.27Å; L1475-N1479 PolarHBondContact O-ND2 3.17Å; L1475-Y1488 HydrophobicContact CD2-CE2 4.23Å |
| 1476 | R | 86 | Confident | 85.4 | Confident | 127 Ų | 127 | 59.4 Ų | 59.4 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 175.6 | -165.9 | -174.3 | -58.8 | 125.1 | 10.7 | 111.5 | V1472 E1473 L1474 N1479 A1480 | V1472-R1476 PolarHBondContact O-N 2.91Å; E1473-R1476 WeakPolarHBondContact O-CB 3.42Å; E1473-R1476 PolarHBondContact O-N 3.32Å; E1473-R1476 IonicContact OE2-CZ 2.99Å; E1473-R1476 IonicContact OE2-NH1 3.61Å; E1473-R1476 PolarHBondContact OE2-NH1 3.37Å; L1474-R1476 VanDerWaalsContact C-N 3.27Å; L1474-R1476 PolarHBondContact O-N 2.95Å; R1476-N1479 PolarHBondContact O-N 2.94Å; R1476-A1480 WeakPolarHBondContact O-CB 3.24Å; R1476-A1480 PolarHBondContact O-N 3.08Å |
| 1477 | I | 89.6 | Confident | 85.9 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 11% | 0.108 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 176.2 | -66 | 167.2 | 0 | 0 | 0 | 110.3 | K1426 L1429 L1430 E1473 L1474 N1479 A1480 D1481 | K1426-I1477 HydrophobicContact CB-CD1 4.48Å; K1426-I1477 HydrophobicContact CD-CD1 3.67Å; K1426-I1477 HydrophobicContact CG-CD1 3.72Å; L1429-I1477 HydrophobicContact CB-CG2 4.11Å; L1429-I1477 HydrophobicContact CD1-CG2 4.45Å; L1430-I1477 HydrophobicContact CD2-CG2 3.76Å; L1430-I1477 HydrophobicContact CG-CG2 4.33Å; E1473-I1477 HydrophobicContact CG-CD1 4.38Å; E1473-I1477 WeakPolarHBondContact O-CG1 3.37Å; E1473-I1477 PolarHBondContact O-N 2.86Å; E1473-I1477 VanDerWaalsContact O-N 3.08Å; L1474-I1477 PolarHBondContact O-N 2.95Å; I1477-N1479 VanDerWaalsContact C-N 3.34Å; I1477-N1479 PolarHBondContact O-N 3.08Å; I1477-A1480 PolarHBondContact O-N 3.43Å; I1477-D1481 PolarHBondContact O-N 3.07Å |
| 1478 | I | 90.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 177.9 | -66.3 | 166.1 | 0 | 0 | 0 | 111.2 | L1429 L1453 I1456 L1474 L1475 A1480 L1484 K1485 Y1488 | L1429-I1478 HydrophobicContact CD1-CD1 4.28Å; L1429-I1478 HydrophobicContact CD1-CG1 3.95Å; L1429-I1478 HydrophobicContact CD2-CG1 4.44Å; L1453-I1478 HydrophobicContact CD2-CD1 3.52Å; L1453-I1478 HydrophobicContact CD2-CG1 3.71Å; L1453-I1478 HydrophobicContact CD2-CG2 4.26Å; I1456-I1478 HydrophobicContact CD1-CD1 3.94Å; I1456-I1478 HydrophobicContact CG2-CD1 3.85Å; L1474-I1478 VanDerWaalsContact O-CG1 3.28Å; L1474-I1478 WeakPolarHBondContact O-CG1 3.39Å; L1474-I1478 PolarHBondContact O-N 3.17Å; L1475-I1478 HydrophobicContact CD2-CD1 4.49Å; L1475-I1478 PolarHBondContact O-N 3.18Å; I1478-A1480 VanDerWaalsContact C-N 3.33Å; I1478-A1480 PolarHBondContact O-N 3.47Å; I1478-L1484 HydrophobicContact CG2-CB 4.34Å; I1478-K1485 PolarHBondContact O-N 3.34Å; I1478-Y1488 HydrophobicContact CD1-CD2 4.2Å; I1478-Y1488 HydrophobicContact CD1-CE2 4.48Å; I1478-Y1488 HydrophobicContact CG2-CD1 4.24Å; I1478-Y1488 HydrophobicContact CG2-CD2 4.26Å; I1478-Y1488 HydrophobicContact CG2-CG 3.82Å |
| 1479 | N | 86.3 | Confident | 87.4 | Confident | 88 Ų | 88 | 59.2 Ų | 59.2 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72.7 | -24 | -178.8 | -78.4 | -47.8 | 0 | 0 | 0 | 113.8 | L1475 R1476 I1477 | L1475-N1479 WeakPolarHBondContact O-CB 3.21Å; L1475-N1479 PolarHBondContact O-N 3.27Å; L1475-N1479 PolarHBondContact O-ND2 3.17Å; R1476-N1479 PolarHBondContact O-N 2.94Å; I1477-N1479 VanDerWaalsContact C-N 3.34Å; I1477-N1479 PolarHBondContact O-N 3.08Å |
| 1480 | A | 86.6 | Confident | 87.9 | Confident | 89 Ų | 89 | 59.8 Ų | 59.8 | 74% | 0.736 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -76.1 | -26.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | R1476 I1477 I1478 | R1476-A1480 WeakPolarHBondContact O-CB 3.24Å; R1476-A1480 PolarHBondContact O-N 3.08Å; I1477-A1480 PolarHBondContact O-N 3.43Å; I1478-A1480 VanDerWaalsContact C-N 3.33Å; I1478-A1480 PolarHBondContact O-N 3.47Å |
| 1481 | D | 88 | Confident | 88 | Confident | 67 Ų | 67 | 58.4 Ų | 58.4 | 36% | 0.358 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -102.3 | 118.3 | 177.2 | -172.2 | -44.4 | 0 | 0 | 0 | 110.5 | I1477 N1483 L1484 K1485 | I1477-D1481 PolarHBondContact O-N 3.07Å; D1481-N1483 VanDerWaalsContact C-N 3.28Å; D1481-N1483 PolarHBondContact O-N 3.07Å; D1481-N1483 WeakPolarHBondContact OD1-CA 3.3Å; D1481-N1483 WeakPolarHBondContact OD1-CB 3.43Å; D1481-N1483 PolarHBondContact OD1-N 3.31Å; D1481-L1484 HydrophobicContact CB-CB 4.02Å; D1481-L1484 HydrophobicContact CB-CD1 3.82Å; D1481-L1484 HydrophobicContact CB-CG 3.88Å; D1481-L1484 PolarHBondContact O-N 2.8Å; D1481-L1484 PolarHBondContact OD1-N 2.96Å; D1481-K1485 WeakPolarHBondContact O-CB 3.2Å; D1481-K1485 PolarHBondContact O-N 3.33Å |
| 1482 | T | 86.9 | Confident | 87.8 | Confident | 101 Ų | 101 | 59 Ų | 59 | 62% | 0.62 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.6 | -34.3 | -178 | 49 | 0 | 0 | 0 | 0 | 113 | N1486 | T1482-N1486 WeakPolarHBondContact O-CB 3.28Å; T1482-N1486 PolarHBondContact O-N 2.89Å; T1482-N1486 PolarHBondContact O-ND2 2.97Å |
| 1483 | N | 87.2 | Confident | 87.6 | Confident | 110 Ų | 110 | 59.6 Ų | 59.6 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -71.4 | -47.4 | 178.9 | -70.4 | -32.6 | 0 | 0 | 0 | 110.8 | D1481 K1485 N1486 I1487 | D1481-N1483 VanDerWaalsContact C-N 3.28Å; D1481-N1483 PolarHBondContact O-N 3.07Å; D1481-N1483 WeakPolarHBondContact OD1-CA 3.3Å; D1481-N1483 WeakPolarHBondContact OD1-CB 3.43Å; D1481-N1483 PolarHBondContact OD1-N 3.31Å; N1483-K1485 VanDerWaalsContact C-N 3.31Å; N1483-K1485 PolarHBondContact O-N 3.11Å; N1483-N1486 PolarHBondContact O-N 3.24Å; N1483-I1487 WeakPolarHBondContact O-CG1 3.29Å; N1483-I1487 PolarHBondContact O-N 2.95Å; N1483-I1487 VanDerWaalsContact O-N 3.09Å |
| 1484 | L | 90.2 | Very high | 87 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.6 | -63.8 | -179.5 | 0 | 0 | 0 | 111.1 | L1429 L1453 I1478 D1481 N1486 I1487 Y1488 | L1429-L1484 HydrophobicContact CB-CD1 4.22Å; L1429-L1484 HydrophobicContact CD2-CD1 4.22Å; L1429-L1484 HydrophobicContact CD2-CD2 4.24Å; L1453-L1484 HydrophobicContact CD1-CD2 4.3Å; I1478-L1484 HydrophobicContact CG2-CB 4.34Å; D1481-L1484 HydrophobicContact CB-CB 4.02Å; D1481-L1484 HydrophobicContact CB-CD1 3.82Å; D1481-L1484 HydrophobicContact CB-CG 3.88Å; D1481-L1484 PolarHBondContact O-N 2.8Å; D1481-L1484 PolarHBondContact OD1-N 2.96Å; L1484-N1486 PolarHBondContact O-N 2.89Å; L1484-I1487 PolarHBondContact O-N 3.26Å; L1484-Y1488 VanDerWaalsContact O-CB 3.27Å; L1484-Y1488 WeakPolarHBondContact O-CB 3.29Å; L1484-Y1488 PolarHBondContact O-N 3.43Å |
| 1485 | K | 89.1 | Confident | 85.7 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 176.2 | -171 | 177.4 | -175.8 | 176.1 | 0 | 112.3 | I1478 D1481 N1483 Y1488 M1489 | I1478-K1485 PolarHBondContact O-N 3.34Å; D1481-K1485 WeakPolarHBondContact O-CB 3.2Å; D1481-K1485 PolarHBondContact O-N 3.33Å; N1483-K1485 VanDerWaalsContact C-N 3.31Å; N1483-K1485 PolarHBondContact O-N 3.11Å; K1485-Y1488 PolarHBondContact O-N 3.04Å; K1485-M1489 HydrophobicContact CG-CG 4.44Å; K1485-M1489 WeakPolarHBondContact O-CB 3.23Å; K1485-M1489 WeakPolarHBondContact O-CG 3.24Å; K1485-M1489 PolarHBondContact O-N 3.39Å |
| 1486 | N | 89.4 | Confident | 83.8 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 178.5 | -72.7 | -20.6 | 0 | 0 | 0 | 111.8 | T1482 N1483 L1484 M1489 Q1490 | T1482-N1486 WeakPolarHBondContact O-CB 3.28Å; T1482-N1486 PolarHBondContact O-N 2.89Å; T1482-N1486 PolarHBondContact O-ND2 2.97Å; N1483-N1486 PolarHBondContact O-N 3.24Å; L1484-N1486 PolarHBondContact O-N 2.89Å; N1486-M1489 PolarHBondContact O-N 2.98Å; N1486-Q1490 WeakPolarHBondContact O-CB 3.46Å; N1486-Q1490 PolarHBondContact O-N 3.42Å |
| 1487 | I | 88 | Confident | 81.4 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 23% | 0.226 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 177.3 | -61.2 | 166 | 0 | 0 | 0 | 110.5 | R1450 L1453 N1483 L1484 M1489 Q1490 I1491 | R1450-I1487 HydrophobicContact CG-CG2 4.27Å; L1453-I1487 HydrophobicContact CD1-CB 3.68Å; L1453-I1487 HydrophobicContact CD1-CG2 3.48Å; L1453-I1487 VanDerWaalsContact CD1-CG2 3.48Å; N1483-I1487 WeakPolarHBondContact O-CG1 3.29Å; N1483-I1487 PolarHBondContact O-N 2.95Å; N1483-I1487 VanDerWaalsContact O-N 3.09Å; L1484-I1487 PolarHBondContact O-N 3.26Å; I1487-M1489 PolarHBondContact O-N 3.11Å; I1487-Q1490 WeakPolarHBondContact O-CB 3.34Å; I1487-Q1490 PolarHBondContact O-N 2.82Å; I1487-I1491 HydrophobicContact CG2-CD1 3.94Å; I1487-I1491 HydrophobicContact CG2-CG1 4.47Å; I1487-I1491 WeakPolarHBondContact O-CG1 3.29Å; I1487-I1491 PolarHBondContact O-N 2.71Å |
| 1488 | Y | 90.8 | Very high | 78.9 | Confident | 21 Ų | 21 | 67.4 Ų | 67.4 | 8% | 0.082 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 176.6 | -179.9 | -102.3 | 0 | 0 | 0 | 112 | L1453 I1456 V1457 L1475 I1478 L1484 K1485 Q1490 I1491 L1492 | L1453-Y1488 HydrophobicContact CD2-CD2 4.24Å; I1456-Y1488 HydrophobicContact CG2-CE2 4.29Å; V1457-Y1488 HydrophobicContact CG2-CD2 3.59Å; V1457-Y1488 HydrophobicContact CG2-CE2 3.39Å; L1475-Y1488 HydrophobicContact CD2-CE2 4.23Å; I1478-Y1488 HydrophobicContact CD1-CD2 4.2Å; I1478-Y1488 HydrophobicContact CD1-CE2 4.48Å; I1478-Y1488 HydrophobicContact CG2-CD1 4.24Å; I1478-Y1488 HydrophobicContact CG2-CD2 4.26Å; I1478-Y1488 HydrophobicContact CG2-CG 3.82Å; L1484-Y1488 VanDerWaalsContact O-CB 3.27Å; L1484-Y1488 WeakPolarHBondContact O-CB 3.29Å; L1484-Y1488 PolarHBondContact O-N 3.43Å; K1485-Y1488 PolarHBondContact O-N 3.04Å; Y1488-Q1490 VanDerWaalsContact C-N 3.34Å; Y1488-Q1490 PolarHBondContact O-N 2.95Å; Y1488-I1491 PolarHBondContact O-N 3.49Å; Y1488-L1492 HydrophobicContact CD1-CD1 3.56Å; Y1488-L1492 HydrophobicContact CE1-CD1 3.16Å; Y1488-L1492 HydrophobicContact CE1-CG 4.22Å; Y1488-L1492 HydrophobicContact CE2-CD1 4.44Å; Y1488-L1492 HydrophobicContact CG-CD1 4.35Å; Y1488-L1492 WeakPolarHBondContact O-CB 3.25Å; Y1488-L1492 PolarHBondContact O-N 2.93Å |
| 1489 | M | 89.6 | Confident | 76.2 | Confident | 110 Ų | 110 | 70.6 Ų | 70.6 | 54% | 0.542 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.5 | -35 | 177 | -67.4 | -63.1 | -79.8 | 0 | 0 | 112.3 | K1485 N1486 I1487 L1492 S1493 | K1485-M1489 HydrophobicContact CG-CG 4.44Å; K1485-M1489 WeakPolarHBondContact O-CB 3.23Å; K1485-M1489 WeakPolarHBondContact O-CG 3.24Å; K1485-M1489 PolarHBondContact O-N 3.39Å; N1486-M1489 PolarHBondContact O-N 2.98Å; I1487-M1489 PolarHBondContact O-N 3.11Å; M1489-L1492 PolarHBondContact O-N 3.19Å; M1489-L1492 HydrophobicContact SD-CD1 4.01Å; M1489-S1493 WeakPolarHBondContact O-CB 3.44Å; M1489-S1493 PolarHBondContact O-N 3.47Å |
| 1490 | Q | 88 | Confident | 73.4 | Confident | 94 Ų | 94 | 73.8 Ų | 73.8 | 44% | 0.439 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 174.2 | -170.4 | -177.9 | 12.6 | 0 | 0 | 110.9 | N1486 I1487 Y1488 L1492 S1493 T1494 | N1486-Q1490 WeakPolarHBondContact O-CB 3.46Å; N1486-Q1490 PolarHBondContact O-N 3.42Å; I1487-Q1490 WeakPolarHBondContact O-CB 3.34Å; I1487-Q1490 PolarHBondContact O-N 2.82Å; Y1488-Q1490 VanDerWaalsContact C-N 3.34Å; Y1488-Q1490 PolarHBondContact O-N 2.95Å; Q1490-L1492 PolarHBondContact O-N 3.26Å; Q1490-S1493 PolarHBondContact O-N 2.9Å; Q1490-S1493 PolarHBondContact O-OG 3.02Å; Q1490-T1494 PolarHBondContact O-N 3.41Å; Q1490-T1494 VanDerWaalsContact O-N 3.08Å; Q1490-T1494 PolarHBondContact O-OG1 3.04Å |
| 1491 | I | 86.3 | Confident | 70.6 | Confident | 13 Ų | 13 | 75.6 Ų | 75.6 | 7% | 0.067 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 178.3 | -63.5 | 167.6 | 0 | 0 | 0 | 111 | R1450 L1453 V1457 I1487 Y1488 S1493 T1494 E1495 | R1450-I1491 HydrophobicContact CG-CD1 4.13Å; L1453-I1491 HydrophobicContact CB-CD1 3.79Å; V1457-I1491 HydrophobicContact CB-CG2 4.18Å; V1457-I1491 HydrophobicContact CG1-CG2 4.23Å; V1457-I1491 HydrophobicContact CG2-CB 4.35Å; V1457-I1491 HydrophobicContact CG2-CG2 3.94Å; I1487-I1491 HydrophobicContact CG2-CD1 3.94Å; I1487-I1491 HydrophobicContact CG2-CG1 4.47Å; I1487-I1491 WeakPolarHBondContact O-CG1 3.29Å; I1487-I1491 PolarHBondContact O-N 2.71Å; Y1488-I1491 PolarHBondContact O-N 3.49Å; I1491-S1493 VanDerWaalsContact C-N 3.31Å; I1491-S1493 PolarHBondContact O-N 3.4Å; I1491-T1494 VanDerWaalsContact C-OG1 3.31Å; I1491-T1494 VanDerWaalsContact CA-OG1 3.31Å; I1491-T1494 WeakPolarHBondContact CA-OG1 3.43Å; I1491-T1494 PolarHBondContact O-N 3.32Å; I1491-T1494 PolarHBondContact O-OG1 2.89Å; I1491-E1495 PolarHBondContact O-N 3.49Å; I1491-E1495 VanDerWaalsContact O-N 3.11Å |
| 1492 | L | 83.7 | Confident | 67.9 | Low | 18 Ų | 18 | 77.3 Ų | 77.3 | 9% | 0.094 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 174.1 | -85.4 | 166.2 | 0 | 0 | 0 | 112.6 | V1457 Y1488 M1489 Q1490 T1494 N1496 | V1457-L1492 HydrophobicContact CG1-CD2 4.09Å; V1457-L1492 HydrophobicContact CG1-CG 4.39Å; V1457-L1492 HydrophobicContact CG2-CG 4.25Å; Y1488-L1492 HydrophobicContact CD1-CD1 3.56Å; Y1488-L1492 HydrophobicContact CE1-CD1 3.16Å; Y1488-L1492 HydrophobicContact CE1-CG 4.22Å; Y1488-L1492 HydrophobicContact CE2-CD1 4.44Å; Y1488-L1492 HydrophobicContact CG-CD1 4.35Å; Y1488-L1492 WeakPolarHBondContact O-CB 3.25Å; Y1488-L1492 PolarHBondContact O-N 2.93Å; M1489-L1492 PolarHBondContact O-N 3.19Å; M1489-L1492 HydrophobicContact SD-CD1 4.01Å; Q1490-L1492 PolarHBondContact O-N 3.26Å; L1492-T1494 VanDerWaalsContact C-N 3.34Å; L1492-N1496 WeakPolarHBondContact O-CB 3.43Å; L1492-N1496 VanDerWaalsContact O-CG 3.31Å; L1492-N1496 PolarHBondContact O-N 2.89Å; L1492-N1496 VanDerWaalsContact O-N 3.08Å; L1492-N1496 PolarHBondContact O-ND2 3.37Å; L1492-N1496 VanDerWaalsContact O-ND2 3.14Å |
| 1493 | S | 77.6 | Confident | 65 | Low | 50 Ų | 50 | 77.6 Ų | 77.6 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 178.6 | 75.5 | 0 | 0 | 0 | 0 | 111.3 | M1489 Q1490 I1491 N1496 Y1497 | M1489-S1493 WeakPolarHBondContact O-CB 3.44Å; M1489-S1493 PolarHBondContact O-N 3.47Å; Q1490-S1493 PolarHBondContact O-N 2.9Å; Q1490-S1493 PolarHBondContact O-OG 3.02Å; I1491-S1493 VanDerWaalsContact C-N 3.31Å; I1491-S1493 PolarHBondContact O-N 3.4Å; S1493-N1496 PolarHBondContact O-N 3.49Å; S1493-Y1497 VanDerWaalsContact O-CD2 3.27Å; S1493-Y1497 WeakPolarHBondContact O-CD2 2.98Å; S1493-Y1497 PolarHBondContact O-N 3.07Å |
| 1494 | T | 74.1 | Confident | 62 | Low | 47 Ų | 47 | 76.8 Ų | 76.8 | 29% | 0.288 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 177.6 | 41.2 | 0 | 0 | 0 | 0 | 112.4 | Q1490 I1491 L1492 N1496 Y1497 S1498 | Q1490-T1494 PolarHBondContact O-N 3.41Å; Q1490-T1494 VanDerWaalsContact O-N 3.08Å; Q1490-T1494 PolarHBondContact O-OG1 3.04Å; I1491-T1494 VanDerWaalsContact C-OG1 3.31Å; I1491-T1494 VanDerWaalsContact CA-OG1 3.31Å; I1491-T1494 WeakPolarHBondContact CA-OG1 3.43Å; I1491-T1494 PolarHBondContact O-N 3.32Å; I1491-T1494 PolarHBondContact O-OG1 2.89Å; L1492-T1494 VanDerWaalsContact C-N 3.34Å; T1494-N1496 PolarHBondContact O-N 2.91Å; T1494-Y1497 PolarHBondContact O-N 2.64Å; T1494-S1498 PolarHBondContact O-N 2.98Å; T1494-S1498 VanDerWaalsContact O-N 3.16Å; T1494-S1498 PolarHBondContact O-OG 2.99Å; T1494-S1498 VanDerWaalsContact O-OG 3.14Å |
| 1495 | E | 62.9 | Low | 59 | Low | 71 Ų | 71 | 80.9 Ų | 80.9 | 33% | 0.332 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 174.9 | -77.2 | -166.3 | 162 | 0 | 0 | 112.7 | V1457 I1491 S1498 T1499 | V1457-E1495 WeakPolarHBondContact CG1-OE2 3.31Å; I1491-E1495 PolarHBondContact O-N 3.49Å; I1491-E1495 VanDerWaalsContact O-N 3.11Å; E1495-S1498 PolarHBondContact O-N 3.34Å; E1495-T1499 PolarHBondContact O-N 3.03Å; E1495-T1499 VanDerWaalsContact O-N 3.07Å; E1495-T1499 PolarHBondContact O-OG1 2.85Å |
| 1496 | N | 49 | Very low | 55.9 | Low | 81 Ų | 81 | 80.9 Ų | 80.9 | 43% | 0.433 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69 | -33.8 | 178.6 | -76.3 | -32.6 | 0 | 0 | 0 | 112.9 | L1492 S1493 T1494 T1499 K1500 | L1492-N1496 WeakPolarHBondContact O-CB 3.43Å; L1492-N1496 VanDerWaalsContact O-CG 3.31Å; L1492-N1496 PolarHBondContact O-N 2.89Å; L1492-N1496 VanDerWaalsContact O-N 3.08Å; L1492-N1496 PolarHBondContact O-ND2 3.37Å; L1492-N1496 VanDerWaalsContact O-ND2 3.14Å; S1493-N1496 PolarHBondContact O-N 3.49Å; T1494-N1496 PolarHBondContact O-N 2.91Å; N1496-T1499 VanDerWaalsContact CA-OG1 3.25Å; N1496-T1499 WeakPolarHBondContact CA-OG1 3.38Å; N1496-T1499 PolarHBondContact O-N 3.22Å; N1496-T1499 PolarHBondContact O-OG1 2.94Å; N1496-K1500 WeakPolarHBondContact O-CB 3.42Å; N1496-K1500 WeakPolarHBondContact O-CG 3.35Å; N1496-K1500 PolarHBondContact O-N 3.03Å |
| 1497 | Y | 35.4 | Very low | 52.8 | Low | 163 Ų | 163 | 80.9 Ų | 80.9 | 64% | 0.639 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -68.8 | -40.6 | 174 | -92.9 | -76.5 | 0 | 0 | 0 | 111.4 | S1493 T1494 T1499 K1500 N1501 | S1493-Y1497 VanDerWaalsContact O-CD2 3.27Å; S1493-Y1497 WeakPolarHBondContact O-CD2 2.98Å; S1493-Y1497 PolarHBondContact O-N 3.07Å; T1494-Y1497 PolarHBondContact O-N 2.64Å; Y1497-T1499 VanDerWaalsContact C-N 3.27Å; Y1497-T1499 PolarHBondContact O-N 2.76Å; Y1497-K1500 PolarHBondContact O-N 2.73Å; Y1497-N1501 PolarHBondContact O-N 3.36Å |
| 1498 | S | 37.6 | Very low | 49.8 | Very low | 44 Ų | 44 | 85.8 Ų | 85.8 | 31% | 0.308 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.5 | -35.5 | 173.9 | -59 | 0 | 0 | 0 | 0 | 112.4 | Q481 T1494 E1495 | Q481-S1498 PolarHBondContact O-OG 3.44Å; T1494-S1498 PolarHBondContact O-N 2.98Å; T1494-S1498 VanDerWaalsContact O-N 3.16Å; T1494-S1498 PolarHBondContact O-OG 2.99Å; T1494-S1498 VanDerWaalsContact O-OG 3.14Å; E1495-S1498 PolarHBondContact O-N 3.34Å |
| 1499 | T | 32.8 | Very low | 46.6 | Very low | 68 Ų | 68 | 90.3 Ų | 90.3 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -77.8 | -40.7 | 175.6 | 27 | 0 | 0 | 0 | 0 | 112.8 | E1495 N1496 Y1497 N1502 L1503 | E1495-T1499 PolarHBondContact O-N 3.03Å; E1495-T1499 VanDerWaalsContact O-N 3.07Å; E1495-T1499 PolarHBondContact O-OG1 2.85Å; N1496-T1499 VanDerWaalsContact CA-OG1 3.25Å; N1496-T1499 WeakPolarHBondContact CA-OG1 3.38Å; N1496-T1499 PolarHBondContact O-N 3.22Å; N1496-T1499 PolarHBondContact O-OG1 2.94Å; Y1497-T1499 VanDerWaalsContact C-N 3.27Å; Y1497-T1499 PolarHBondContact O-N 2.76Å; T1499-N1502 CarbonylContact O-C 3.45Å; T1499-N1502 PolarHBondContact O-N 3.24Å; T1499-N1502 VanDerWaalsContact O-N 3.17Å; T1499-L1503 WeakPolarHBondContact O-CB 3.19Å; T1499-L1503 PolarHBondContact O-N 3.15Å |
| 1500 | K | 27.5 | Very low | 43.7 | Very low | 155 Ų | 155 | 90.6 Ų | 90.6 | 67% | 0.674 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68 | -35.7 | -179.7 | -82.6 | -174.4 | 176.7 | -178.1 | 0 | 114.1 | N1496 Y1497 N1502 L1503 S1504 | N1496-K1500 WeakPolarHBondContact O-CB 3.42Å; N1496-K1500 WeakPolarHBondContact O-CG 3.35Å; N1496-K1500 PolarHBondContact O-N 3.03Å; Y1497-K1500 PolarHBondContact O-N 2.73Å; K1500-N1502 PolarHBondContact O-N 3.35Å; K1500-L1503 PolarHBondContact O-N 3.37Å; K1500-L1503 VanDerWaalsContact O-N 3.14Å; K1500-S1504 PolarHBondContact O-N 2.98Å |
| 1501 | N | 29.4 | Very low | 40.5 | Very low | 126 Ų | 126 | 93.1 Ų | 93.1 | 67% | 0.674 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.6 | -16.6 | 174.5 | -81.5 | -2.7 | 0 | 0 | 0 | 113 | Y1497 | Y1497-N1501 PolarHBondContact O-N 3.36Å |
| 1502 | N | 30.6 | Very low | 37.5 | Very low | 104 Ų | 104 | 98.8 Ų | 98.8 | 56% | 0.556 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -102 | -9.3 | 173.4 | -68.4 | -11.6 | 0 | 0 | 0 | 113.4 | T1499 K1500 | T1499-N1502 CarbonylContact O-C 3.45Å; T1499-N1502 PolarHBondContact O-N 3.24Å; T1499-N1502 VanDerWaalsContact O-N 3.17Å; K1500-N1502 PolarHBondContact O-N 3.35Å |
| 1503 | L | 25.9 | Very low | 34.7 | Very low | 106 Ų | 106 | 104.2 Ų | 104.2 | 56% | 0.555 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -112.2 | 10.1 | -177.4 | -103.5 | 92.3 | 0 | 0 | 0 | 115.2 | T1499 K1500 T1505 | T1499-L1503 WeakPolarHBondContact O-CB 3.19Å; T1499-L1503 PolarHBondContact O-N 3.15Å; K1500-L1503 PolarHBondContact O-N 3.37Å; K1500-L1503 VanDerWaalsContact O-N 3.14Å; L1503-T1505 PolarHBondContact O-N 2.68Å |
| 1504 | S | 24.5 | Very low | 31.9 | Very low | 94 Ų | 94 | 109.8 Ų | 109.8 | 66% | 0.657 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | 63.4 | 163.6 | 63 | 0 | 0 | 0 | 0 | 110.6 | K1500 | K1500-S1504 PolarHBondContact O-N 2.98Š|
| 1505 | T | 28 | Very low | 29.5 | Very low | 94 Ų | 94 | 114.5 Ų | 114.5 | 58% | 0.577 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -178.2 | 36.3 | 158.7 | 44 | 0 | 0 | 0 | 0 | 113.6 | L1503 | L1503-T1505 PolarHBondContact O-N 2.68Š|
| 1506 | T | 23.8 | Very low | 27.5 | Very low | 91 Ų | 91 | 117.7 Ų | 117.7 | 56% | 0.558 | 68% | 0.678 | S | S | * | * | trans | -150.7 | 93 | 162.6 | 49 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1507 | S | 24.2 | Very low | 26.3 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | trans | -130.8 | 87.1 | 160.4 | 63.4 | 0 | 0 | 0 | 0 | 109.4 | T1509 | S1507-T1509 VanDerWaalsContact C-N 3.34Å; S1507-T1509 PolarHBondContact O-N 3.16Å | ||
| 1508 | T | 23.7 | Very low | 25.8 | Very low | 146 Ų | 146 | 113.4 Ų | 113.4 | 90% | 0.896 | 70% | 0.702 | S | S | * | * | trans | -78.5 | 87.7 | 157 | 39.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1509 | T | 24.6 | Very low | 25.1 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | trans | -75 | 129.8 | 166.6 | 39.4 | 0 | 0 | 0 | 0 | 109.3 | S1507 T1511 | S1507-T1509 VanDerWaalsContact C-N 3.34Å; S1507-T1509 PolarHBondContact O-N 3.16Å; T1509-T1511 PolarHBondContact O-N 3.15Å | ||
| 1510 | P | 27.3 | Very low | 24.7 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | -64.8 | 133.6 | 169.5 | -1.3 | 15.6 | 0 | 0 | 0 | 108.5 | T1512 | P1510-T1512 PolarHBondContact O-N 2.54Å; P1510-T1512 VanDerWaalsContact O-N 3.11Å | ||
| 1511 | T | 22 | Very low | 24.5 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 90% | 0.896 | 76% | 0.761 | S | S | * | * | trans | -47.6 | 107.1 | 176.5 | 38.7 | 0 | 0 | 0 | 0 | 112.6 | T1509 | T1509-T1511 PolarHBondContact O-N 3.15Š| ||
| 1512 | T | 23.4 | Very low | 24.3 | Very low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | -124.1 | 126.6 | 153.9 | -41.5 | 0 | 0 | 0 | 0 | 108.1 | P1510 | P1510-T1512 PolarHBondContact O-N 2.54Å; P1510-T1512 VanDerWaalsContact O-N 3.11Å | ||
| 1513 | T | 23.5 | Very low | 24.1 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -49.9 | 128.9 | -169.3 | 40.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1514 | M | 19.8 | Very low | 24 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | 15.9 | 110.8 | 144.7 | -64.8 | -100.5 | 98.3 | 0 | 0 | 117.9 | ||||
| 1515 | T | 22.8 | Very low | 24 | Very low | 145 Ų | 145 | 131 Ų | 131 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -143.7 | 124.9 | 135.3 | 41.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1516 | T | 22.3 | Very low | 23.8 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | trans | -72.8 | 124.1 | -179.6 | 46.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1517 | G | 22.9 | Very low | 23.8 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | -146.8 | 119.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1518 | G | 24.5 | Very low | 23.7 | Very low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -64.5 | 147.8 | -160.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | G1520 | G1518-G1520 PolarHBondContact O-N 3.38Å; G1518-G1520 VanDerWaalsContact O-N 3.14Å | ||
| 1519 | F | 23.5 | Very low | 23.8 | Very low | 223 Ų | 223 | 134.2 Ų | 134.2 | 98% | 0.978 | 82% | 0.817 | S | S | * | * | trans | -61.4 | 102.3 | 167.5 | -81.3 | -95.9 | 0 | 0 | 0 | 111.4 | ||||
| 1520 | G | 24.5 | Very low | 23.7 | Very low | 72 Ų | 72 | 135.1 Ų | 135.1 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | trans | -86.7 | 102.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111 | G1518 N1522 | G1518-G1520 PolarHBondContact O-N 3.38Å; G1518-G1520 VanDerWaalsContact O-N 3.14Å; G1520-N1522 PolarHBondContact O-N 2.84Å | ||
| 1521 | R | 22.9 | Very low | 23.6 | Very low | 241 Ų | 241 | 133 Ų | 133 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -52.3 | 123.6 | 159.1 | -90.5 | 175.5 | 163.7 | 171.9 | -5.1 | 108.9 | ||||
| 1522 | N | 25.8 | Very low | 23.7 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | trans | -129.1 | 130.9 | 159.8 | -104.1 | -16.5 | 0 | 0 | 0 | 110.8 | G1520 | G1520-N1522 PolarHBondContact O-N 2.84Š| ||
| 1523 | N | 26.1 | Very low | 23.8 | Very low | 145 Ų | 145 | 126.9 Ų | 126.9 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | trans | -62.7 | 140.3 | -162.7 | -76.4 | -32.9 | 0 | 0 | 0 | 114.2 | S1525 | N1523-S1525 PolarHBondContact O-N 3.5Å; N1523-S1525 VanDerWaalsContact O-N 3.08Å | ||
| 1524 | S | 23.6 | Very low | 23.8 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -57 | 98.3 | 156.1 | 50.2 | 0 | 0 | 0 | 0 | 110.6 | S1526 | S1524-S1526 PolarHBondContact O-N 3.03Š| ||
| 1525 | S | 25.3 | Very low | 24.1 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | trans | -87.1 | 102.1 | 164.3 | 51.2 | 0 | 0 | 0 | 0 | 109 | N1523 C1527 | N1523-S1525 PolarHBondContact O-N 3.5Å; N1523-S1525 VanDerWaalsContact O-N 3.08Å; S1525-C1527 PolarHBondContact O-N 3.34Å | ||
| 1526 | S | 24.2 | Very low | 24.2 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -56.8 | 109.3 | 167.1 | 49.8 | 0 | 0 | 0 | 0 | 111.1 | S1524 S1528 | S1524-S1526 PolarHBondContact O-N 3.03Å; S1526-S1528 PolarHBondContact O-N 3.18Å | ||
| 1527 | C | 23.1 | Very low | 24.2 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | trans | -85.3 | 93.1 | 165.1 | -81.5 | 0 | 0 | 0 | 0 | 109.2 | S1525 L1529 | S1525-C1527 PolarHBondContact O-N 3.34Å; C1527-L1529 PolarHBondContact O-N 3.06Å | ||
| 1528 | S | 22.1 | Very low | 24.3 | Very low | 99 Ų | 99 | 122 Ų | 122 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | -73.3 | 101.1 | 163.3 | 52.5 | 0 | 0 | 0 | 0 | 109.3 | S1526 T1530 | S1526-S1528 PolarHBondContact O-N 3.18Å; S1528-T1530 PolarHBondContact O-N 2.83Å | ||
| 1529 | L | 26.2 | Very low | 24.2 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -93.1 | 85.8 | 164.6 | -80.6 | 163.6 | 0 | 0 | 0 | 108.4 | C1527 G1531 | C1527-L1529 PolarHBondContact O-N 3.06Å; L1529-G1531 PolarHBondContact O-N 3.43Å | ||
| 1530 | T | 22.3 | Very low | 24.3 | Very low | 136 Ų | 136 | 126.3 Ų | 126.3 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -74.5 | 103.8 | 160.9 | 47.3 | 0 | 0 | 0 | 0 | 108.1 | S1528 | S1528-T1530 PolarHBondContact O-N 2.83Š| ||
| 1531 | G | 25.8 | Very low | 24.2 | Very low | 72 Ų | 72 | 125.2 Ų | 125.2 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -139.6 | 78.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | L1529 G1533 | L1529-G1531 PolarHBondContact O-N 3.43Å; G1531-G1533 PolarHBondContact O-N 3.13Å | ||
| 1532 | G | 23.3 | Very low | 24.2 | Very low | 90 Ų | 90 | 121.7 Ų | 121.7 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | trans | -64.2 | 118.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1533 | G | 25 | Very low | 24 | Very low | 61 Ų | 61 | 122.8 Ų | 122.8 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | trans | -149.5 | 88.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | G1531 I1535 | G1531-G1533 PolarHBondContact O-N 3.13Å; G1533-I1535 PolarHBondContact O-N 2.97Å | ||
| 1534 | D | 23.5 | Very low | 23.9 | Very low | 175 Ų | 175 | 121.4 Ų | 121.4 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | -51.1 | 105.4 | 162.1 | -95.4 | -36.2 | 0 | 0 | 0 | 109 | ||||
| 1535 | I | 26.7 | Very low | 24 | Very low | 164 Ų | 164 | 121 Ų | 121 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -129.8 | 92.2 | 163.5 | -58.6 | -177.9 | 0 | 0 | 0 | 107.6 | G1533 | G1533-I1535 PolarHBondContact O-N 2.97Š| ||
| 1536 | G | 25 | Very low | 23.9 | Very low | 66 Ų | 66 | 122.4 Ų | 122.4 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | trans | 57.3 | 97.1 | 138.1 | 0 | 0 | 0 | 0 | 0 | 117 | G1538 | G1536-G1538 PolarHBondContact O-N 3.42Š| ||
| 1537 | G | 22.5 | Very low | 23.9 | Very low | 80 Ų | 80 | 127.8 Ų | 127.8 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -54.8 | 99.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y1539 | G1537-Y1539 PolarHBondContact O-N 3.15Š| ||
| 1538 | G | 23.7 | Very low | 24.1 | Very low | 67 Ų | 67 | 130.4 Ų | 130.4 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | -72.1 | 108.7 | 166 | 0 | 0 | 0 | 0 | 0 | 108.8 | G1536 I1540 | G1536-G1538 PolarHBondContact O-N 3.42Å; G1538-I1540 PolarHBondContact O-N 2.96Å | ||
| 1539 | Y | 23 | Very low | 24.2 | Very low | 232 Ų | 232 | 132 Ų | 132 | 91% | 0.91 | 82% | 0.819 | S | S | * | * | trans | -50.6 | 108.9 | 165.7 | -92.5 | -100.8 | 0 | 0 | 0 | 109.4 | G1537 G1541 | G1537-Y1539 PolarHBondContact O-N 3.15Å; Y1539-G1541 PolarHBondContact O-N 3.2Å; Y1539-G1541 VanDerWaalsContact O-N 3.16Å | ||
| 1540 | I | 25 | Very low | 24.1 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -68.8 | 109.2 | 167.1 | -64.6 | 174.4 | 0 | 0 | 0 | 106 | G1538 | G1538-I1540 PolarHBondContact O-N 2.96Š| ||
| 1541 | G | 23.8 | Very low | 24.2 | Very low | 49 Ų | 49 | 129.6 Ų | 129.6 | 51% | 0.505 | 81% | 0.814 | S | S | . | * | trans | -59.2 | 143.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1539 F1543 | Y1539-G1541 PolarHBondContact O-N 3.2Å; Y1539-G1541 VanDerWaalsContact O-N 3.16Å; G1541-F1543 WeakPolarHBondContact O-CD2 2.82Å; G1541-F1543 PolarHBondContact O-N 2.98Å | ||
| 1542 | N | 21.5 | Very low | 24.1 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -46.9 | 104.4 | 170.8 | -75.2 | -26.9 | 0 | 0 | 0 | 111.7 | ||||
| 1543 | F | 22.1 | Very low | 24.1 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | -96.2 | 121.2 | 160.3 | -81.8 | -82.2 | 0 | 0 | 0 | 108.6 | G1541 S1545 | G1541-F1543 WeakPolarHBondContact O-CD2 2.82Å; G1541-F1543 PolarHBondContact O-N 2.98Å; F1543-S1545 PolarHBondContact O-N 2.8Å; F1543-S1545 VanDerWaalsContact O-N 3.16Å | ||
| 1544 | P | 25.2 | Very low | 24.1 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | trans | -64.6 | 118.7 | 172.7 | 26.2 | -29.2 | 0 | 0 | 0 | 108.1 | T1546 | P1544-T1546 PolarHBondContact O-N 2.79Š| ||
| 1545 | S | 24.2 | Very low | 24.1 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | -66.7 | 89.9 | -177.5 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | F1543 R1547 | F1543-S1545 PolarHBondContact O-N 2.8Å; F1543-S1545 VanDerWaalsContact O-N 3.16Å; S1545-R1547 PolarHBondContact O-N 3.22Å | ||
| 1546 | T | 25 | Very low | 23.9 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -80.5 | 96 | 155.2 | 44.6 | 0 | 0 | 0 | 0 | 107.8 | P1544 S1548 | P1544-T1546 PolarHBondContact O-N 2.79Å; T1546-S1548 PolarHBondContact O-N 3.29Å | ||
| 1547 | R | 23.3 | Very low | 23.8 | Very low | 226 Ų | 226 | 142 Ų | 142 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | trans | -67.3 | 116.3 | 172.8 | -84 | 178 | 169.9 | 176.4 | -4.2 | 110.1 | S1545 | S1545-R1547 PolarHBondContact O-N 3.22Š| ||
| 1548 | S | 26.8 | Very low | 24 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 100% | 1.217 | 82% | 0.824 | S | S | * | * | trans | -99.9 | 0 | 144.3 | 57 | 0 | 0 | 0 | 0 | 108.2 | T1546 | T1546-S1548 PolarHBondContact O-N 3.29Š|
Retrieved 1,548 of 1,548 residues in 1704 ms
(Link to these results)